NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9552 | 1o8t | 5534 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 HT3 THR 1 26.598 0.741 4.787 2 H2 THR 1 HT2 THR 1 27.100 1.938 5.910 3 H3 THR 1 HT1 THR 1 28.179 1.393 4.691 4 HA THR 1 HA THR 1 28.268 -0.753 5.639 5 HB THR 1 HB THR 1 28.648 1.410 7.725 6 HG1 THR 1 HG1 THR 1 29.950 2.153 6.251 7 1HG2 THR 1 1HG2 THR 1 29.975 -1.263 7.376 8 2HG2 THR 1 3HG2 THR 1 30.592 0.021 8.414 9 3HG2 THR 1 2HG2 THR 1 29.020 -0.704 8.749 10 H GLN 2 HN GLN 2 27.200 -2.345 6.632 11 HA GLN 2 HA GLN 2 24.686 -1.807 7.922 12 1HB GLN 2 HB2 GLN 2 24.416 -4.206 8.022 13 2HB GLN 2 HB1 GLN 2 25.026 -3.762 6.435 14 1HG GLN 2 HG2 GLN 2 26.331 -5.574 6.895 15 2HG GLN 2 HG1 GLN 2 27.353 -4.281 7.519 16 1HE2 GLN 2 1HE2 GLN 2 24.701 -6.385 8.624 17 2HE2 GLN 2 2HE2 GLN 2 25.388 -6.715 10.174 18 H GLN 3 HN GLN 3 24.139 -2.952 10.019 19 HA GLN 3 HA GLN 3 26.300 -2.464 11.955 20 1HB GLN 3 HB2 GLN 3 24.118 -1.123 12.055 21 2HB GLN 3 HB1 GLN 3 23.362 -2.611 12.606 22 1HG GLN 3 HG2 GLN 3 25.800 -1.741 14.032 23 2HG GLN 3 HG1 GLN 3 24.344 -0.776 14.265 24 1HE2 GLN 3 1HE2 GLN 3 26.070 -3.256 15.501 25 2HE2 GLN 3 2HE2 GLN 3 24.817 -4.108 16.331 26 HA PRO 4 HA PRO 4 26.121 -6.908 12.523 27 1HB PRO 4 HB2 PRO 4 28.262 -7.128 14.136 28 2HB PRO 4 HB1 PRO 4 28.425 -6.793 12.408 29 1HG PRO 4 HG2 PRO 4 28.570 -4.904 14.725 30 2HG PRO 4 HG1 PRO 4 29.594 -4.983 13.280 31 1HD PRO 4 HD2 PRO 4 27.525 -3.215 13.587 32 2HD PRO 4 HD1 PRO 4 28.105 -3.793 12.012 33 H GLN 5 HN GLN 5 24.044 -6.334 13.741 34 HA GLN 5 HA GLN 5 24.163 -6.019 16.579 35 1HB GLN 5 HB2 GLN 5 22.190 -5.762 14.652 36 2HB GLN 5 HB1 GLN 5 21.687 -7.184 15.554 37 1HG GLN 5 HG2 GLN 5 22.411 -4.596 16.891 38 2HG GLN 5 HG1 GLN 5 20.780 -4.957 16.331 39 1HE2 GLN 5 1HE2 GLN 5 19.690 -6.792 17.269 40 2HE2 GLN 5 2HE2 GLN 5 20.089 -7.301 18.870 41 H GLN 6 HN GLN 6 23.774 -7.528 18.202 42 HA GLN 6 HA GLN 6 24.773 -10.142 17.737 43 1HB GLN 6 HB2 GLN 6 25.034 -8.960 19.888 44 2HB GLN 6 HB1 GLN 6 23.300 -9.061 20.150 45 1HG GLN 6 HG2 GLN 6 24.780 -11.588 19.672 46 2HG GLN 6 HG1 GLN 6 24.994 -10.781 21.225 47 1HE2 GLN 6 1HE2 GLN 6 22.919 -10.150 22.329 48 2HE2 GLN 6 2HE2 GLN 6 21.618 -11.284 22.257 49 H ASP 7 HN ASP 7 21.535 -9.109 18.861 50 HA ASP 7 HA ASP 7 20.370 -11.664 18.375 51 1HB ASP 7 HB2 ASP 7 19.558 -9.916 20.038 52 2HB ASP 7 HB1 ASP 7 18.872 -9.057 18.663 53 H GLU 8 HN GLU 8 19.400 -12.463 16.602 54 HA GLU 8 HA GLU 8 19.714 -11.144 14.098 55 1HB GLU 8 HB2 GLU 8 19.509 -13.729 14.787 56 2HB GLU 8 HB1 GLU 8 17.839 -13.440 14.319 57 1HG GLU 8 HG2 GLU 8 20.243 -12.915 12.584 58 2HG GLU 8 HG1 GLU 8 19.203 -14.335 12.487 59 H MET 9 HN MET 9 16.881 -11.914 16.107 60 HA MET 9 HA MET 9 14.980 -10.726 14.359 61 1HB MET 9 HB2 MET 9 14.814 -11.357 17.314 62 2HB MET 9 HB1 MET 9 13.449 -10.873 16.319 63 1HG MET 9 HG2 MET 9 13.178 -12.923 15.503 64 2HG MET 9 HG1 MET 9 14.902 -13.127 15.203 65 1HE MET 9 HE1 MET 9 16.517 -14.236 16.598 66 2HE MET 9 HE3 MET 9 16.421 -13.135 17.972 67 3HE MET 9 HE2 MET 9 16.285 -14.875 18.225 68 HA PRO 10 HA PRO 10 15.111 -6.427 15.335 69 1HB PRO 10 HB2 PRO 10 12.235 -6.332 15.960 70 2HB PRO 10 HB1 PRO 10 13.121 -5.577 14.634 71 1HG PRO 10 HG2 PRO 10 11.465 -7.651 14.225 72 2HG PRO 10 HG1 PRO 10 12.953 -7.440 13.282 73 1HD PRO 10 HD2 PRO 10 12.422 -9.261 15.604 74 2HD PRO 10 HD1 PRO 10 13.301 -9.587 14.094 75 H SER 11 HN SER 11 16.276 -7.070 17.373 76 HA SER 11 HA SER 11 14.870 -7.091 19.861 77 1HB SER 11 HB2 SER 11 17.617 -7.397 18.950 78 2HB SER 11 HB1 SER 11 17.525 -6.419 20.413 79 HG SER 11 HG SER 11 17.600 -8.477 21.129 80 HA PRO 12 HA PRO 12 14.495 -2.876 21.128 81 1HB PRO 12 HB2 PRO 12 16.282 -2.674 23.271 82 2HB PRO 12 HB1 PRO 12 14.596 -3.187 23.374 83 1HG PRO 12 HG2 PRO 12 17.079 -4.836 23.264 84 2HG PRO 12 HG1 PRO 12 15.582 -5.113 24.174 85 1HD PRO 12 HD2 PRO 12 16.127 -6.493 21.950 86 2HD PRO 12 HD1 PRO 12 14.471 -5.971 22.321 87 H THR 13 HN THR 13 17.884 -3.972 21.137 88 HA THR 13 HA THR 13 18.972 -1.378 20.641 89 HB THR 13 HB THR 13 21.020 -2.863 19.937 90 HG1 THR 13 HG1 THR 13 19.943 -4.817 19.741 91 1HG2 THR 13 1HG2 THR 13 20.895 -1.645 22.059 92 2HG2 THR 13 3HG2 THR 13 20.001 -2.992 22.763 93 3HG2 THR 13 2HG2 THR 13 21.666 -3.221 22.230 94 H PHE 14 HN PHE 14 18.127 -4.156 18.611 95 HA PHE 14 HA PHE 14 19.206 -3.198 16.192 96 1HB PHE 14 HB2 PHE 14 17.921 -5.506 16.994 97 2HB PHE 14 HB1 PHE 14 16.751 -4.777 15.902 98 HD1 PHE 14 HD1 PHE 14 18.286 -7.396 15.549 99 HD2 PHE 14 HD2 PHE 14 19.012 -3.432 14.178 100 HE1 PHE 14 HE1 PHE 14 19.535 -8.292 13.629 101 HE2 PHE 14 HE2 PHE 14 20.262 -4.322 12.256 102 HZ PHE 14 HZ PHE 14 20.524 -6.755 11.979 103 H LEU 15 HN LEU 15 16.032 -2.767 17.704 104 HA LEU 15 HA LEU 15 14.763 -1.458 15.559 105 1HB LEU 15 HB2 LEU 15 14.296 -1.299 18.536 106 2HB LEU 15 HB1 LEU 15 13.251 -0.537 17.353 107 HG LEU 15 HG LEU 15 13.769 -3.459 17.078 108 1HD1 LEU 15 3HD1 LEU 15 13.321 -3.179 19.467 109 2HD1 LEU 15 2HD1 LEU 15 11.845 -2.293 19.084 110 3HD1 LEU 15 1HD1 LEU 15 11.991 -3.995 18.646 111 1HD2 LEU 15 3HD2 LEU 15 12.445 -2.205 15.420 112 2HD2 LEU 15 2HD2 LEU 15 11.502 -3.454 16.233 113 3HD2 LEU 15 1HD2 LEU 15 11.305 -1.762 16.692 114 H THR 16 HN THR 16 16.443 -0.141 18.418 115 HA THR 16 HA THR 16 16.159 2.574 17.805 116 HB THR 16 HB THR 16 18.529 1.307 19.195 117 HG1 THR 16 HG1 THR 16 17.071 0.654 20.551 118 1HG2 THR 16 2HG2 THR 16 17.292 4.037 19.442 119 2HG2 THR 16 1HG2 THR 16 18.513 3.382 20.533 120 3HG2 THR 16 3HG2 THR 16 18.900 3.645 18.833 121 H GLN 17 HN GLN 17 18.559 0.204 16.771 122 HA GLN 17 HA GLN 17 20.371 1.948 15.529 123 1HB GLN 17 HB2 GLN 17 20.773 -0.461 16.089 124 2HB GLN 17 HB1 GLN 17 19.768 -0.896 14.714 125 1HG GLN 17 HG2 GLN 17 21.935 0.981 14.101 126 2HG GLN 17 HG1 GLN 17 22.461 -0.611 14.645 127 1HE2 GLN 17 1HE2 GLN 17 21.905 1.111 11.976 128 2HE2 GLN 17 2HE2 GLN 17 21.427 -0.139 10.884 129 H VAL 18 HN VAL 18 17.411 0.445 14.339 130 HA VAL 18 HA VAL 18 17.348 0.527 11.709 131 HB VAL 18 HB VAL 18 15.272 1.779 13.500 132 1HG1 VAL 18 3HG1 VAL 18 15.208 1.292 10.537 133 2HG1 VAL 18 2HG1 VAL 18 13.735 1.345 11.505 134 3HG1 VAL 18 1HG1 VAL 18 14.788 2.758 11.424 135 1HG2 VAL 18 2HG2 VAL 18 15.775 -0.647 13.759 136 2HG2 VAL 18 1HG2 VAL 18 14.117 -0.311 13.262 137 3HG2 VAL 18 3HG2 VAL 18 15.295 -0.880 12.078 138 H LYS 19 HN LYS 19 17.118 3.570 13.577 139 HA LYS 19 HA LYS 19 16.806 5.351 11.495 140 1HB LYS 19 HB2 LYS 19 17.815 5.501 14.249 141 2HB LYS 19 HB1 LYS 19 18.441 6.757 13.190 142 1HG LYS 19 HG2 LYS 19 15.506 6.188 13.311 143 2HG LYS 19 HG1 LYS 19 16.286 7.204 14.524 144 1HD LYS 19 HD2 LYS 19 16.272 8.939 13.134 145 2HD LYS 19 HD1 LYS 19 17.150 8.011 11.917 146 1HE LYS 19 HE2 LYS 19 14.230 7.526 12.254 147 2HE LYS 19 HE1 LYS 19 14.750 8.997 11.434 148 1HZ LYS 19 HZ3 LYS 19 16.126 7.507 9.975 149 2HZ LYS 19 HZ2 LYS 19 15.299 6.193 10.648 150 3HZ LYS 19 HZ1 LYS 19 14.451 7.369 9.778 151 H GLU 20 HN GLU 20 19.898 4.247 12.883 152 HA GLU 20 HA GLU 20 21.545 5.647 11.072 153 1HB GLU 20 HB2 GLU 20 22.188 3.100 12.565 154 2HB GLU 20 HB1 GLU 20 23.352 4.213 11.862 155 1HG GLU 20 HG2 GLU 20 23.462 5.066 13.919 156 2HG GLU 20 HG1 GLU 20 21.955 5.874 13.492 157 H SER 21 HN SER 21 19.862 2.619 10.847 158 HA SER 21 HA SER 21 21.324 1.427 8.756 159 1HB SER 21 HB2 SER 21 19.779 -0.230 8.868 160 2HB SER 21 HB1 SER 21 19.248 0.617 10.318 161 HG SER 21 HG SER 21 17.552 1.427 9.247 162 H LEU 22 HN LEU 22 18.940 3.974 8.756 163 HA LEU 22 HA LEU 22 18.251 3.814 5.996 164 1HB LEU 22 HB2 LEU 22 17.886 5.834 8.166 165 2HB LEU 22 HB1 LEU 22 17.635 6.331 6.504 166 HG LEU 22 HG LEU 22 16.055 4.242 6.412 167 1HD1 LEU 22 3HD1 LEU 22 16.360 4.756 9.352 168 2HD1 LEU 22 2HD1 LEU 22 14.890 4.056 8.676 169 3HD1 LEU 22 1HD1 LEU 22 16.433 3.224 8.483 170 1HD2 LEU 22 1HD2 LEU 22 15.402 6.851 7.770 171 2HD2 LEU 22 3HD2 LEU 22 15.246 6.459 6.057 172 3HD2 LEU 22 2HD2 LEU 22 14.189 5.687 7.239 173 H SER 23 HN SER 23 20.606 5.729 7.844 174 HA SER 23 HA SER 23 21.528 7.335 5.744 175 1HB SER 23 HB2 SER 23 23.095 6.316 8.129 176 2HB SER 23 HB1 SER 23 23.541 7.686 7.112 177 HG SER 23 HG SER 23 21.626 7.496 9.101 178 H SER 24 HN SER 24 22.834 4.262 6.977 179 HA SER 24 HA SER 24 24.845 3.984 5.013 180 1HB SER 24 HB2 SER 24 24.773 1.534 5.707 181 2HB SER 24 HB1 SER 24 25.072 2.694 7.001 182 HG SER 24 HG SER 24 22.770 1.180 6.458 183 H TYR 25 HN TYR 25 21.437 3.525 4.872 184 HA TYR 25 HA TYR 25 21.446 1.630 2.709 185 1HB TYR 25 HB2 TYR 25 19.559 1.770 4.296 186 2HB TYR 25 HB1 TYR 25 19.207 3.397 3.726 187 HD1 TYR 25 HD1 TYR 25 19.140 -0.176 2.841 188 HD2 TYR 25 HD2 TYR 25 18.059 3.763 1.649 189 HE1 TYR 25 HE1 TYR 25 17.685 -1.111 1.094 190 HE2 TYR 25 HE2 TYR 25 16.600 2.839 -0.101 191 HH TYR 25 HH TYR 25 16.738 0.186 -1.402 192 H TRP 26 HN TRP 26 21.032 5.137 3.033 193 HA TRP 26 HA TRP 26 20.411 5.672 0.336 194 1HB TRP 26 HB2 TRP 26 20.009 7.301 2.123 195 2HB TRP 26 HB1 TRP 26 21.743 7.453 2.390 196 HD1 TRP 26 HD1 TRP 26 19.056 8.307 -0.241 197 HE1 TRP 26 HE1 TRP 26 19.930 10.253 -1.682 198 HE3 TRP 26 HE3 TRP 26 23.795 8.655 1.649 199 HZ2 TRP 26 HZ2 TRP 26 22.312 11.738 -1.977 200 HZ3 TRP 26 HZ3 TRP 26 25.307 10.364 0.732 201 HH2 TRP 26 HH2 TRP 26 24.580 11.873 -1.044 202 H GLU 27 HN GLU 27 23.465 5.388 2.053 203 HA GLU 27 HA GLU 27 25.337 6.424 0.400 204 1HB GLU 27 HB2 GLU 27 25.856 5.258 2.502 205 2HB GLU 27 HB1 GLU 27 25.492 3.716 1.742 206 1HG GLU 27 HG2 GLU 27 27.539 5.406 0.435 207 2HG GLU 27 HG1 GLU 27 27.964 4.674 1.982 208 H SER 28 HN SER 28 24.140 3.080 0.114 209 HA SER 28 HA SER 28 25.194 2.904 -2.594 210 1HB SER 28 HB2 SER 28 23.920 0.872 -0.756 211 2HB SER 28 HB1 SER 28 24.374 0.514 -2.422 212 HG SER 28 HG SER 28 25.986 0.991 -0.193 213 H ALA 29 HN ALA 29 22.300 3.869 -1.139 214 HA ALA 29 HA ALA 29 20.352 2.763 -2.836 215 1HB ALA 29 HB2 ALA 29 19.777 3.918 -0.769 216 2HB ALA 29 HB3 ALA 29 18.918 4.615 -2.140 217 3HB ALA 29 HB1 ALA 29 20.316 5.447 -1.462 218 H LYS 30 HN LYS 30 22.412 5.614 -3.230 219 HA LYS 30 HA LYS 30 21.174 6.819 -5.392 220 1HB LYS 30 HB2 LYS 30 24.123 6.610 -4.773 221 2HB LYS 30 HB1 LYS 30 23.455 7.672 -6.003 222 1HG LYS 30 HG2 LYS 30 23.324 9.222 -4.421 223 2HG LYS 30 HG1 LYS 30 21.988 8.289 -3.744 224 1HD LYS 30 HD2 LYS 30 23.325 8.397 -1.901 225 2HD LYS 30 HD1 LYS 30 23.987 6.939 -2.640 226 1HE LYS 30 HE2 LYS 30 25.651 8.471 -3.802 227 2HE LYS 30 HE1 LYS 30 25.101 9.731 -2.699 228 1HZ LYS 30 HZ2 LYS 30 25.693 8.190 -0.849 229 2HZ LYS 30 HZ1 LYS 30 26.408 7.164 -1.988 230 3HZ LYS 30 HZ3 LYS 30 27.015 8.726 -1.757 231 H THR 31 HN THR 31 23.697 4.312 -5.506 232 HA THR 31 HA THR 31 23.966 4.003 -8.227 233 HB THR 31 HB THR 31 23.856 1.658 -6.325 234 HG1 THR 31 HG1 THR 31 25.342 2.670 -5.252 235 1HG2 THR 31 2HG2 THR 31 25.564 2.193 -8.743 236 2HG2 THR 31 1HG2 THR 31 25.697 0.793 -7.679 237 3HG2 THR 31 3HG2 THR 31 24.234 1.040 -8.632 238 H ALA 32 HN ALA 32 21.478 2.760 -6.071 239 HA ALA 32 HA ALA 32 20.121 1.131 -7.936 240 1HB ALA 32 HB1 ALA 32 18.619 2.543 -5.779 241 2HB ALA 32 HB3 ALA 32 18.492 0.874 -6.334 242 3HB ALA 32 HB2 ALA 32 19.858 1.370 -5.335 243 H ALA 33 HN ALA 33 19.697 4.542 -6.998 244 HA ALA 33 HA ALA 33 17.450 5.193 -8.451 245 1HB ALA 33 HB3 ALA 33 18.761 6.682 -6.882 246 2HB ALA 33 HB2 ALA 33 19.824 7.026 -8.246 247 3HB ALA 33 HB1 ALA 33 18.116 7.458 -8.328 248 H GLN 34 HN GLN 34 20.807 5.434 -9.618 249 HA GLN 34 HA GLN 34 20.091 6.100 -12.270 250 1HB GLN 34 HB2 GLN 34 22.613 4.858 -11.152 251 2HB GLN 34 HB1 GLN 34 22.440 5.382 -12.820 252 1HG GLN 34 HG2 GLN 34 23.418 7.236 -11.977 253 2HG GLN 34 HG1 GLN 34 21.739 7.650 -11.639 254 1HE2 GLN 34 1HE2 GLN 34 21.308 8.284 -9.645 255 2HE2 GLN 34 2HE2 GLN 34 22.253 7.935 -8.242 256 H ASN 35 HN ASN 35 20.605 3.060 -10.588 257 HA ASN 35 HA ASN 35 20.607 1.357 -12.832 258 1HB ASN 35 HB2 ASN 35 21.191 0.827 -10.360 259 2HB ASN 35 HB1 ASN 35 19.465 0.534 -10.174 260 1HD2 ASN 35 1HD2 ASN 35 22.442 -0.618 -11.479 261 2HD2 ASN 35 2HD2 ASN 35 21.856 -2.149 -12.024 262 H LEU 36 HN LEU 36 18.033 2.928 -11.118 263 HA LEU 36 HA LEU 36 15.840 1.387 -11.921 264 1HB LEU 36 HB2 LEU 36 16.033 3.516 -10.349 265 2HB LEU 36 HB1 LEU 36 15.628 4.371 -11.824 266 HG LEU 36 HG LEU 36 13.908 2.093 -10.927 267 1HD1 LEU 36 3HD1 LEU 36 14.205 3.547 -8.962 268 2HD1 LEU 36 2HD1 LEU 36 13.662 4.924 -9.921 269 3HD1 LEU 36 1HD1 LEU 36 12.558 3.588 -9.593 270 1HD2 LEU 36 1HD2 LEU 36 13.461 4.625 -12.498 271 2HD2 LEU 36 3HD2 LEU 36 13.443 2.967 -13.102 272 3HD2 LEU 36 2HD2 LEU 36 12.172 3.524 -12.011 273 H TYR 37 HN TYR 37 17.494 4.121 -13.381 274 HA TYR 37 HA TYR 37 15.970 4.250 -15.767 275 1HB TYR 37 HB2 TYR 37 17.745 5.916 -14.719 276 2HB TYR 37 HB1 TYR 37 18.863 5.018 -15.741 277 HD1 TYR 37 HD1 TYR 37 15.630 6.874 -15.887 278 HD2 TYR 37 HD2 TYR 37 19.130 5.638 -17.966 279 HE1 TYR 37 HE1 TYR 37 14.974 8.262 -17.807 280 HE2 TYR 37 HE2 TYR 37 18.483 7.023 -19.892 281 HH TYR 37 HH TYR 37 16.691 9.384 -19.942 282 H GLU 38 HN GLU 38 18.838 2.469 -14.774 283 HA GLU 38 HA GLU 38 19.645 1.453 -17.249 284 1HB GLU 38 HB2 GLU 38 21.053 1.276 -15.280 285 2HB GLU 38 HB1 GLU 38 19.890 0.212 -14.506 286 1HG GLU 38 HG2 GLU 38 20.919 -0.669 -17.126 287 2HG GLU 38 HG1 GLU 38 22.071 -0.654 -15.791 288 H LYS 39 HN LYS 39 17.671 -0.217 -14.804 289 HA LYS 39 HA LYS 39 17.026 -2.396 -16.479 290 1HB LYS 39 HB2 LYS 39 15.434 -3.031 -14.755 291 2HB LYS 39 HB1 LYS 39 16.957 -2.531 -14.035 292 1HG LYS 39 HG2 LYS 39 15.645 -0.195 -13.963 293 2HG LYS 39 HG1 LYS 39 14.281 -1.308 -13.857 294 1HD LYS 39 HD2 LYS 39 15.653 -2.479 -12.021 295 2HD LYS 39 HD1 LYS 39 16.612 -0.998 -11.993 296 1HE LYS 39 HE2 LYS 39 15.056 -0.506 -10.387 297 2HE LYS 39 HE1 LYS 39 14.249 0.141 -11.815 298 1HZ LYS 39 HZ1 LYS 39 13.753 -2.531 -10.614 299 2HZ LYS 39 HZ3 LYS 39 12.744 -1.181 -10.465 300 3HZ LYS 39 HZ2 LYS 39 12.972 -1.903 -11.977 301 H THR 40 HN THR 40 15.987 0.756 -16.809 302 HA THR 40 HA THR 40 13.229 0.312 -17.402 303 HB THR 40 HB THR 40 15.082 2.565 -18.199 304 HG1 THR 40 HG1 THR 40 14.727 2.543 -16.003 305 1HG2 THR 40 1HG2 THR 40 12.109 2.317 -18.515 306 2HG2 THR 40 3HG2 THR 40 12.955 3.864 -18.493 307 3HG2 THR 40 2HG2 THR 40 13.312 2.682 -19.752 308 H TYR 41 HN TYR 41 16.088 0.809 -19.429 309 HA TYR 41 HA TYR 41 14.794 0.319 -21.896 310 1HB TYR 41 HB2 TYR 41 17.723 0.112 -21.165 311 2HB TYR 41 HB1 TYR 41 17.093 0.089 -22.809 312 HD1 TYR 41 HD1 TYR 41 18.099 2.150 -20.034 313 HD2 TYR 41 HD2 TYR 41 15.908 2.141 -23.682 314 HE1 TYR 41 HE1 TYR 41 18.214 4.604 -20.103 315 HE2 TYR 41 HE2 TYR 41 16.018 4.595 -23.760 316 HH TYR 41 HH TYR 41 16.378 6.493 -21.615 317 H LEU 42 HN LEU 42 16.785 -1.785 -19.815 318 HA LEU 42 HA LEU 42 16.516 -4.062 -21.524 319 1HB LEU 42 HB2 LEU 42 17.569 -3.629 -18.752 320 2HB LEU 42 HB1 LEU 42 17.363 -5.254 -19.376 321 HG LEU 42 HG LEU 42 18.893 -3.328 -21.049 322 1HD1 LEU 42 1HD1 LEU 42 19.913 -4.543 -18.492 323 2HD1 LEU 42 3HD1 LEU 42 20.964 -3.956 -19.782 324 3HD1 LEU 42 2HD1 LEU 42 19.884 -2.839 -18.947 325 1HD2 LEU 42 3HD2 LEU 42 18.427 -5.611 -21.814 326 2HD2 LEU 42 2HD2 LEU 42 20.155 -5.333 -21.598 327 3HD2 LEU 42 1HD2 LEU 42 19.252 -6.250 -20.392 328 HA PRO 43 HA PRO 43 12.659 -5.561 -19.875 329 1HB PRO 43 HB2 PRO 43 12.442 -7.768 -21.340 330 2HB PRO 43 HB1 PRO 43 12.441 -6.176 -22.108 331 1HG PRO 43 HG2 PRO 43 14.618 -8.207 -21.960 332 2HG PRO 43 HG1 PRO 43 14.205 -7.097 -23.276 333 1HD PRO 43 HD2 PRO 43 16.219 -6.730 -21.334 334 2HD PRO 43 HD1 PRO 43 15.614 -5.512 -22.473 335 H ALA 44 HN ALA 44 15.214 -6.274 -18.382 336 HA ALA 44 HA ALA 44 15.162 -9.004 -17.660 337 1HB ALA 44 HB1 ALA 44 16.221 -6.661 -16.087 338 2HB ALA 44 HB3 ALA 44 16.611 -8.359 -15.817 339 3HB ALA 44 HB2 ALA 44 17.110 -7.566 -17.311 340 H VAL 45 HN VAL 45 13.077 -6.436 -16.811 341 HA VAL 45 HA VAL 45 12.317 -6.912 -14.220 342 HB VAL 45 HB VAL 45 10.044 -6.081 -14.856 343 1HG1 VAL 45 1HG1 VAL 45 11.915 -4.578 -14.272 344 2HG1 VAL 45 3HG1 VAL 45 12.323 -4.461 -15.984 345 3HG1 VAL 45 2HG1 VAL 45 10.775 -3.848 -15.403 346 1HG2 VAL 45 1HG2 VAL 45 11.211 -6.308 -17.614 347 2HG2 VAL 45 3HG2 VAL 45 9.655 -6.885 -17.019 348 3HG2 VAL 45 2HG2 VAL 45 9.926 -5.158 -17.247 349 H ASP 46 HN ASP 46 11.198 -8.606 -17.129 350 HA ASP 46 HA ASP 46 9.364 -10.276 -15.693 351 1HB ASP 46 HB2 ASP 46 10.474 -10.769 -18.459 352 2HB ASP 46 HB1 ASP 46 8.963 -11.372 -17.784 353 H GLU 47 HN GLU 47 12.697 -10.594 -16.828 354 HA GLU 47 HA GLU 47 12.933 -13.390 -16.357 355 1HB GLU 47 HB2 GLU 47 14.488 -12.240 -17.822 356 2HB GLU 47 HB1 GLU 47 15.033 -11.217 -16.501 357 1HG GLU 47 HG2 GLU 47 15.305 -14.118 -16.072 358 2HG GLU 47 HG1 GLU 47 16.321 -13.423 -17.334 359 H LYS 48 HN LYS 48 14.070 -10.594 -14.445 360 HA LYS 48 HA LYS 48 15.035 -12.031 -12.251 361 1HB LYS 48 HB2 LYS 48 13.921 -9.230 -12.423 362 2HB LYS 48 HB1 LYS 48 14.710 -9.876 -10.990 363 1HG LYS 48 HG2 LYS 48 16.736 -10.295 -12.392 364 2HG LYS 48 HG1 LYS 48 15.931 -9.430 -13.704 365 1HD LYS 48 HD2 LYS 48 17.131 -7.718 -12.768 366 2HD LYS 48 HD1 LYS 48 15.630 -7.582 -11.850 367 1HE LYS 48 HE2 LYS 48 16.563 -8.614 -9.960 368 2HE LYS 48 HE1 LYS 48 17.925 -9.256 -10.877 369 1HZ LYS 48 HZ2 LYS 48 17.453 -6.382 -10.287 370 2HZ LYS 48 HZ1 LYS 48 18.570 -7.375 -9.496 371 3HZ LYS 48 HZ3 LYS 48 18.772 -7.014 -11.137 372 H LEU 49 HN LEU 49 11.773 -11.289 -13.172 373 HA LEU 49 HA LEU 49 10.517 -11.492 -10.656 374 1HB LEU 49 HB2 LEU 49 9.698 -11.026 -13.276 375 2HB LEU 49 HB1 LEU 49 8.927 -12.543 -12.861 376 HG LEU 49 HG LEU 49 7.433 -10.688 -12.409 377 1HD1 LEU 49 1HD1 LEU 49 7.426 -12.686 -10.925 378 2HD1 LEU 49 3HD1 LEU 49 8.451 -11.796 -9.799 379 3HD1 LEU 49 2HD1 LEU 49 6.825 -11.216 -10.157 380 1HD2 LEU 49 3HD2 LEU 49 9.199 -8.987 -12.044 381 2HD2 LEU 49 2HD2 LEU 49 7.939 -8.964 -10.810 382 3HD2 LEU 49 1HD2 LEU 49 9.505 -9.694 -10.457 383 H ARG 50 HN ARG 50 10.592 -13.903 -13.291 384 HA ARG 50 HA ARG 50 9.801 -16.069 -11.659 385 1HB ARG 50 HB2 ARG 50 11.032 -15.810 -14.376 386 2HB ARG 50 HB1 ARG 50 10.986 -17.392 -13.611 387 1HG ARG 50 HG2 ARG 50 8.540 -15.685 -13.968 388 2HG ARG 50 HG1 ARG 50 9.087 -16.850 -15.174 389 1HD ARG 50 HD2 ARG 50 8.339 -17.460 -12.316 390 2HD ARG 50 HD1 ARG 50 7.367 -17.812 -13.740 391 HE ARG 50 HE ARG 50 8.991 -19.449 -14.387 392 1HH1 ARG 50 1HH1 ARG 50 9.444 -18.186 -11.144 393 2HH1 ARG 50 2HH1 ARG 50 10.397 -19.533 -10.627 394 1HH2 ARG 50 1HH2 ARG 50 10.249 -21.213 -13.689 395 2HH2 ARG 50 2HH2 ARG 50 10.855 -21.247 -12.067 396 H ASP 51 HN ASP 51 12.914 -14.642 -12.434 397 HA ASP 51 HA ASP 51 14.631 -16.679 -11.620 398 1HB ASP 51 HB2 ASP 51 15.204 -14.436 -12.732 399 2HB ASP 51 HB1 ASP 51 15.199 -13.764 -11.105 400 H LEU 52 HN LEU 52 13.515 -13.903 -9.673 401 HA LEU 52 HA LEU 52 14.578 -14.870 -7.236 402 1HB LEU 52 HB2 LEU 52 13.801 -12.484 -7.903 403 2HB LEU 52 HB1 LEU 52 12.217 -13.027 -7.386 404 HG LEU 52 HG LEU 52 13.424 -13.668 -5.172 405 1HD1 LEU 52 2HD1 LEU 52 15.696 -13.334 -5.983 406 2HD1 LEU 52 1HD1 LEU 52 15.343 -11.637 -6.304 407 3HD1 LEU 52 3HD1 LEU 52 15.335 -12.241 -4.647 408 1HD2 LEU 52 3HD2 LEU 52 11.731 -11.925 -5.375 409 2HD2 LEU 52 2HD2 LEU 52 13.030 -11.422 -4.294 410 3HD2 LEU 52 1HD2 LEU 52 12.956 -10.789 -5.938 411 H TYR 53 HN TYR 53 11.616 -15.525 -8.944 412 HA TYR 53 HA TYR 53 10.086 -16.480 -6.757 413 1HB TYR 53 HB2 TYR 53 9.803 -16.309 -9.632 414 2HB TYR 53 HB1 TYR 53 9.237 -17.868 -9.044 415 HD1 TYR 53 HD1 TYR 53 7.610 -17.784 -6.998 416 HD2 TYR 53 HD2 TYR 53 8.369 -14.486 -9.577 417 HE1 TYR 53 HE1 TYR 53 5.492 -16.754 -6.295 418 HE2 TYR 53 HE2 TYR 53 6.253 -13.447 -8.880 419 HH TYR 53 HH TYR 53 4.709 -13.915 -6.376 420 H SER 54 HN SER 54 12.194 -18.099 -9.115 421 HA SER 54 HA SER 54 11.746 -20.738 -8.265 422 1HB SER 54 HB2 SER 54 14.210 -19.514 -9.536 423 2HB SER 54 HB1 SER 54 13.915 -21.245 -9.375 424 HG SER 54 HG SER 54 12.738 -19.385 -11.077 425 H LYS 55 HN LYS 55 14.303 -18.427 -7.354 426 HA LYS 55 HA LYS 55 15.619 -20.088 -5.506 427 1HB LYS 55 HB2 LYS 55 16.344 -17.819 -6.550 428 2HB LYS 55 HB1 LYS 55 15.495 -17.104 -5.187 429 1HG LYS 55 HG2 LYS 55 16.968 -18.052 -3.629 430 2HG LYS 55 HG1 LYS 55 17.622 -19.185 -4.813 431 1HD LYS 55 HD2 LYS 55 18.582 -17.282 -6.058 432 2HD LYS 55 HD1 LYS 55 17.982 -16.188 -4.810 433 1HE LYS 55 HE2 LYS 55 19.415 -17.127 -3.172 434 2HE LYS 55 HE1 LYS 55 19.826 -18.489 -4.213 435 1HZ LYS 55 HZ2 LYS 55 20.562 -15.655 -4.719 436 2HZ LYS 55 HZ1 LYS 55 21.604 -16.849 -4.129 437 3HZ LYS 55 HZ3 LYS 55 20.975 -16.973 -5.695 438 H SER 56 HN SER 56 13.070 -17.648 -5.046 439 HA SER 56 HA SER 56 12.900 -17.849 -2.249 440 1HB SER 56 HB2 SER 56 10.823 -16.646 -2.429 441 2HB SER 56 HB1 SER 56 11.939 -16.003 -3.631 442 HG SER 56 HG SER 56 9.917 -16.336 -4.566 443 H THR 57 HN THR 57 11.831 -20.111 -4.633 444 HA THR 57 HA THR 57 9.574 -21.193 -3.404 445 HB THR 57 HB THR 57 11.674 -22.707 -4.970 446 HG1 THR 57 HG1 THR 57 9.435 -21.207 -5.850 447 1HG2 THR 57 1HG2 THR 57 8.758 -23.267 -4.502 448 2HG2 THR 57 3HG2 THR 57 9.749 -24.077 -5.716 449 3HG2 THR 57 2HG2 THR 57 10.134 -24.252 -4.004 450 H ALA 58 HN ALA 58 13.011 -22.003 -2.957 451 HA ALA 58 HA ALA 58 12.365 -23.894 -0.844 452 1HB ALA 58 HB2 ALA 58 14.133 -24.458 -2.420 453 2HB ALA 58 HB1 ALA 58 15.039 -23.025 -1.935 454 3HB ALA 58 HB3 ALA 58 14.771 -24.331 -0.781 455 H ALA 59 HN ALA 59 14.055 -20.780 -1.178 456 HA ALA 59 HA ALA 59 14.836 -20.503 1.506 457 1HB ALA 59 HB2 ALA 59 15.096 -18.103 0.974 458 2HB ALA 59 HB3 ALA 59 14.297 -18.387 -0.572 459 3HB ALA 59 HB1 ALA 59 15.842 -19.162 -0.221 460 H MET 60 HN MET 60 12.084 -18.940 -0.166 461 HA MET 60 HA MET 60 10.970 -17.783 2.134 462 1HB MET 60 HB2 MET 60 10.483 -17.406 -0.422 463 2HB MET 60 HB1 MET 60 9.220 -18.599 -0.147 464 1HG MET 60 HG2 MET 60 8.485 -17.109 1.792 465 2HG MET 60 HG1 MET 60 9.525 -15.880 1.073 466 1HE MET 60 HE2 MET 60 9.510 -15.174 -1.143 467 2HE MET 60 HE1 MET 60 8.626 -16.030 -2.406 468 3HE MET 60 HE3 MET 60 8.004 -14.507 -1.772 469 H SER 61 HN SER 61 10.854 -21.066 1.032 470 HA SER 61 HA SER 61 8.410 -21.840 2.240 471 1HB SER 61 HB2 SER 61 9.678 -23.154 0.504 472 2HB SER 61 HB1 SER 61 10.816 -23.611 1.771 473 HG SER 61 HG SER 61 8.222 -24.463 1.316 474 H THR 62 HN THR 62 11.443 -21.029 3.598 475 HA THR 62 HA THR 62 10.968 -22.538 6.052 476 HB THR 62 HB THR 62 13.260 -20.636 5.629 477 HG1 THR 62 HG1 THR 62 13.711 -21.815 3.932 478 1HG2 THR 62 3HG2 THR 62 12.650 -22.160 7.762 479 2HG2 THR 62 2HG2 THR 62 13.672 -23.271 6.852 480 3HG2 THR 62 1HG2 THR 62 14.288 -21.685 7.317 481 H TYR 63 HN TYR 63 11.525 -19.180 5.019 482 HA TYR 63 HA TYR 63 10.894 -17.984 7.483 483 1HB TYR 63 HB2 TYR 63 10.835 -16.839 4.682 484 2HB TYR 63 HB1 TYR 63 10.713 -15.888 6.158 485 HD1 TYR 63 HD1 TYR 63 12.930 -17.399 3.793 486 HD2 TYR 63 HD2 TYR 63 12.677 -15.966 7.791 487 HE1 TYR 63 HE1 TYR 63 15.382 -17.253 3.889 488 HE2 TYR 63 HE2 TYR 63 15.128 -15.814 7.898 489 HH TYR 63 HH TYR 63 17.133 -17.260 6.308 490 H THR 64 HN THR 64 8.916 -19.364 5.018 491 HA THR 64 HA THR 64 6.597 -17.782 5.483 492 HB THR 64 HB THR 64 7.109 -20.405 4.126 493 HG1 THR 64 HG1 THR 64 5.991 -17.930 3.310 494 1HG2 THR 64 1HG2 THR 64 4.399 -19.335 4.834 495 2HG2 THR 64 3HG2 THR 64 4.673 -20.380 3.441 496 3HG2 THR 64 2HG2 THR 64 5.035 -20.963 5.065 497 H GLY 65 HN GLY 65 7.388 -21.111 6.465 498 1HA GLY 65 HA1 GLY 65 6.700 -22.339 8.286 499 2HA GLY 65 HA2 GLY 65 5.253 -21.336 8.310 500 H ILE 66 HN ILE 66 8.590 -20.231 8.593 501 HA ILE 66 HA ILE 66 8.682 -20.010 11.412 502 HB ILE 66 HB ILE 66 10.257 -18.624 9.242 503 1HG1 ILE 66 2HG1 ILE 66 11.203 -20.614 11.304 504 2HG1 ILE 66 1HG1 ILE 66 10.527 -21.117 9.759 505 1HG2 ILE 66 2HG2 ILE 66 10.436 -18.294 12.222 506 2HG2 ILE 66 1HG2 ILE 66 11.815 -17.995 11.164 507 3HG2 ILE 66 3HG2 ILE 66 10.339 -17.048 10.978 508 1HD1 ILE 66 2HD1 ILE 66 12.294 -19.766 8.635 509 2HD1 ILE 66 1HD1 ILE 66 13.014 -19.497 10.223 510 3HD1 ILE 66 3HD1 ILE 66 12.895 -21.132 9.575 511 H PHE 67 HN PHE 67 8.230 -17.494 8.921 512 HA PHE 67 HA PHE 67 7.691 -15.335 10.562 513 1HB PHE 67 HB2 PHE 67 7.968 -15.079 8.156 514 2HB PHE 67 HB1 PHE 67 6.472 -15.959 7.862 515 HD1 PHE 67 HD1 PHE 67 7.880 -12.841 9.255 516 HD2 PHE 67 HD2 PHE 67 4.383 -14.869 7.922 517 HE1 PHE 67 HE1 PHE 67 6.628 -10.724 9.329 518 HE2 PHE 67 HE2 PHE 67 3.126 -12.755 7.992 519 HZ PHE 67 HZ PHE 67 4.249 -10.679 8.696 520 H THR 68 HN THR 68 5.280 -17.523 9.106 521 HA THR 68 HA THR 68 3.068 -16.427 10.457 522 HB THR 68 HB THR 68 1.875 -18.489 9.776 523 HG1 THR 68 HG1 THR 68 3.233 -20.133 9.812 524 1HG2 THR 68 1HG2 THR 68 3.617 -17.300 7.633 525 2HG2 THR 68 3HG2 THR 68 2.218 -18.334 7.344 526 3HG2 THR 68 2HG2 THR 68 2.008 -16.762 8.116 527 H ASP 69 HN ASP 69 5.524 -18.562 11.532 528 HA ASP 69 HA ASP 69 4.170 -20.058 13.470 529 1HB ASP 69 HB2 ASP 69 6.633 -20.233 12.707 530 2HB ASP 69 HB1 ASP 69 6.955 -19.003 13.924 531 H GLN 70 HN GLN 70 6.004 -17.031 13.975 532 HA GLN 70 HA GLN 70 5.008 -16.644 16.611 533 1HB GLN 70 HB2 GLN 70 6.334 -14.683 14.731 534 2HB GLN 70 HB1 GLN 70 6.049 -14.405 16.443 535 1HG GLN 70 HG2 GLN 70 7.879 -16.436 15.193 536 2HG GLN 70 HG1 GLN 70 8.322 -15.037 16.169 537 1HE2 GLN 70 1HE2 GLN 70 7.641 -15.052 18.430 538 2HE2 GLN 70 2HE2 GLN 70 7.540 -16.562 19.262 539 H VAL 71 HN VAL 71 3.790 -15.835 13.479 540 HA VAL 71 HA VAL 71 2.081 -13.691 14.230 541 HB VAL 71 HB VAL 71 1.895 -15.614 11.897 542 1HG1 VAL 71 2HG1 VAL 71 0.291 -13.159 12.562 543 2HG1 VAL 71 1HG1 VAL 71 0.431 -13.785 10.919 544 3HG1 VAL 71 3HG1 VAL 71 -0.290 -14.781 12.183 545 1HG2 VAL 71 1HG2 VAL 71 3.828 -13.817 12.267 546 2HG2 VAL 71 3HG2 VAL 71 3.162 -14.176 10.674 547 3HG2 VAL 71 2HG2 VAL 71 2.609 -12.756 11.562 548 H LEU 72 HN LEU 72 1.493 -17.124 13.569 549 HA LEU 72 HA LEU 72 -1.171 -17.242 14.412 550 1HB LEU 72 HB2 LEU 72 1.010 -19.193 13.957 551 2HB LEU 72 HB1 LEU 72 -0.276 -19.725 15.024 552 HG LEU 72 HG LEU 72 -1.873 -19.004 13.127 553 1HD1 LEU 72 2HD1 LEU 72 -0.125 -17.788 11.852 554 2HD1 LEU 72 1HD1 LEU 72 0.654 -19.335 11.520 555 3HD1 LEU 72 3HD1 LEU 72 -0.968 -19.014 10.906 556 1HD2 LEU 72 2HD2 LEU 72 -1.481 -21.320 13.796 557 2HD2 LEU 72 1HD2 LEU 72 -1.642 -21.180 12.045 558 3HD2 LEU 72 3HD2 LEU 72 -0.047 -21.379 12.771 559 H SER 73 HN SER 73 1.887 -17.465 16.148 560 HA SER 73 HA SER 73 0.897 -18.322 18.625 561 1HB SER 73 HB2 SER 73 3.017 -18.002 19.399 562 2HB SER 73 HB1 SER 73 3.384 -17.789 17.690 563 HG SER 73 HG SER 73 4.204 -15.999 18.555 564 H VAL 74 HN VAL 74 1.097 -15.107 17.219 565 HA VAL 74 HA VAL 74 0.229 -13.729 19.568 566 HB VAL 74 HB VAL 74 0.109 -12.812 16.686 567 1HG1 VAL 74 3HG1 VAL 74 -0.301 -11.409 19.300 568 2HG1 VAL 74 2HG1 VAL 74 0.286 -10.530 17.887 569 3HG1 VAL 74 1HG1 VAL 74 -1.278 -11.344 17.833 570 1HG2 VAL 74 3HG2 VAL 74 2.352 -13.320 18.321 571 2HG2 VAL 74 2HG2 VAL 74 2.311 -12.530 16.745 572 3HG2 VAL 74 1HG2 VAL 74 2.178 -11.568 18.217 573 H LEU 75 HN LEU 75 -1.391 -15.627 17.219 574 HA LEU 75 HA LEU 75 -3.918 -14.362 17.198 575 1HB LEU 75 HB2 LEU 75 -2.830 -16.439 15.836 576 2HB LEU 75 HB1 LEU 75 -3.865 -17.303 16.956 577 HG LEU 75 HG LEU 75 -4.989 -16.920 14.825 578 1HD1 LEU 75 2HD1 LEU 75 -6.209 -16.877 17.057 579 2HD1 LEU 75 1HD1 LEU 75 -6.285 -15.127 16.854 580 3HD1 LEU 75 3HD1 LEU 75 -7.049 -16.186 15.669 581 1HD2 LEU 75 3HD2 LEU 75 -3.739 -14.791 14.326 582 2HD2 LEU 75 2HD2 LEU 75 -5.464 -14.766 13.961 583 3HD2 LEU 75 1HD2 LEU 75 -4.859 -13.972 15.415 584 H LYS 76 HN LYS 76 -2.449 -16.770 19.258 585 HA LYS 76 HA LYS 76 -4.790 -17.353 20.783 586 1HB LYS 76 HB2 LYS 76 -1.857 -17.882 21.173 587 2HB LYS 76 HB1 LYS 76 -3.014 -18.252 22.444 588 1HG LYS 76 HG2 LYS 76 -3.792 -20.064 21.384 589 2HG LYS 76 HG1 LYS 76 -3.750 -19.283 19.803 590 1HD LYS 76 HD2 LYS 76 -1.188 -20.045 21.139 591 2HD LYS 76 HD1 LYS 76 -2.150 -21.285 20.331 592 1HE LYS 76 HE2 LYS 76 -2.107 -19.940 18.268 593 2HE LYS 76 HE1 LYS 76 -1.099 -18.746 19.085 594 1HZ LYS 76 HZ2 LYS 76 -0.355 -21.587 18.636 595 2HZ LYS 76 HZ1 LYS 76 0.202 -20.277 17.722 596 3HZ LYS 76 HZ3 LYS 76 0.617 -20.406 19.358 597 H GLY 77 HN GLY 77 -1.970 -15.247 21.337 598 1HA GLY 77 HA1 GLY 77 -1.610 -13.554 22.847 599 2HA GLY 77 HA2 GLY 77 -2.756 -14.358 23.908 600 H GLU 78 HN GLU 78 -3.154 -12.861 20.697 601 HA GLU 78 HA GLU 78 -4.541 -10.581 21.687 602 1HB GLU 78 HB2 GLU 78 -3.370 -10.442 19.582 603 2HB GLU 78 HB1 GLU 78 -4.323 -11.757 18.911 604 1HG GLU 78 HG2 GLU 78 -5.817 -9.393 19.865 605 2HG GLU 78 HG1 GLU 78 -4.823 -9.180 18.425 606 H GLU 79 HN GLU 79 -5.719 -13.338 19.731 607 HA GLU 79 HA GLU 79 -8.452 -12.726 20.539 608 1HB GLU 79 HB2 GLU 79 -7.943 -13.207 18.164 609 2HB GLU 79 HB1 GLU 79 -7.427 -14.824 18.618 610 1HG GLU 79 HG2 GLU 79 -10.158 -13.958 19.394 611 2HG GLU 79 HG1 GLU 79 -9.849 -14.335 17.700 No H/Q in entry = 611 Start of MODEL 2 1 H1 THR 1 HT1 THR 1 28.743 0.246 2.042 2 H2 THR 1 HT3 THR 1 27.198 -0.341 1.587 3 H3 THR 1 HT2 THR 1 27.584 1.315 1.367 4 HA THR 1 HA THR 1 26.254 1.260 3.215 5 HB THR 1 HB THR 1 26.315 -1.156 3.554 6 HG1 THR 1 HG1 THR 1 25.718 -0.816 5.518 7 1HG2 THR 1 2HG2 THR 1 28.806 -1.413 3.286 8 2HG2 THR 1 1HG2 THR 1 28.954 -0.861 4.954 9 3HG2 THR 1 3HG2 THR 1 28.065 -2.340 4.589 10 H GLN 2 HN GLN 2 26.679 3.040 4.339 11 HA GLN 2 HA GLN 2 29.262 3.328 5.684 12 1HB GLN 2 HB2 GLN 2 29.171 4.495 3.368 13 2HB GLN 2 HB1 GLN 2 28.125 5.659 4.167 14 1HG GLN 2 HG2 GLN 2 30.815 4.959 5.284 15 2HG GLN 2 HG1 GLN 2 30.631 6.164 4.010 16 1HE2 GLN 2 1HE2 GLN 2 30.565 5.592 7.326 17 2HE2 GLN 2 2HE2 GLN 2 29.909 7.109 7.830 18 H GLN 3 HN GLN 3 28.807 3.630 7.753 19 HA GLN 3 HA GLN 3 27.105 5.757 8.625 20 1HB GLN 3 HB2 GLN 3 25.292 4.281 8.299 21 2HB GLN 3 HB1 GLN 3 26.193 2.903 8.912 22 1HG GLN 3 HG2 GLN 3 24.468 3.629 10.471 23 2HG GLN 3 HG1 GLN 3 26.080 3.790 11.162 24 1HE2 GLN 3 1HE2 GLN 3 25.709 5.386 12.608 25 2HE2 GLN 3 2HE2 GLN 3 25.194 6.980 12.188 26 HA PRO 4 HA PRO 4 30.238 5.117 11.782 27 1HB PRO 4 HB2 PRO 4 30.078 7.539 12.917 28 2HB PRO 4 HB1 PRO 4 30.799 7.317 11.319 29 1HG PRO 4 HG2 PRO 4 28.070 8.302 12.046 30 2HG PRO 4 HG1 PRO 4 29.180 8.898 10.800 31 1HD PRO 4 HD2 PRO 4 27.054 7.212 10.319 32 2HD PRO 4 HD1 PRO 4 28.482 7.346 9.278 33 H GLN 5 HN GLN 5 28.121 3.658 12.405 34 HA GLN 5 HA GLN 5 26.589 4.607 14.617 35 1HB GLN 5 HB2 GLN 5 26.499 2.400 12.893 36 2HB GLN 5 HB1 GLN 5 26.778 1.718 14.489 37 1HG GLN 5 HG2 GLN 5 24.670 3.782 14.243 38 2HG GLN 5 HG1 GLN 5 24.351 2.200 13.535 39 1HE2 GLN 5 1HE2 GLN 5 24.802 3.998 16.456 40 2HE2 GLN 5 2HE2 GLN 5 24.340 2.742 17.548 41 H GLN 6 HN GLN 6 27.064 4.626 16.723 42 HA GLN 6 HA GLN 6 29.666 3.964 17.649 43 1HB GLN 6 HB2 GLN 6 28.205 5.754 18.617 44 2HB GLN 6 HB1 GLN 6 27.193 4.494 19.310 45 1HG GLN 6 HG2 GLN 6 30.078 4.359 19.928 46 2HG GLN 6 HG1 GLN 6 29.174 5.694 20.641 47 1HE2 GLN 6 1HE2 GLN 6 27.230 5.122 21.872 48 2HE2 GLN 6 2HE2 GLN 6 27.216 3.637 22.754 49 H ASP 7 HN ASP 7 26.475 2.474 18.164 50 HA ASP 7 HA ASP 7 27.470 0.307 19.723 51 1HB ASP 7 HB2 ASP 7 25.166 0.987 19.973 52 2HB ASP 7 HB1 ASP 7 24.850 0.713 18.264 53 H GLU 8 HN GLU 8 29.035 -0.873 18.729 54 HA GLU 8 HA GLU 8 28.969 -1.622 15.987 55 1HB GLU 8 HB2 GLU 8 31.047 -1.404 17.357 56 2HB GLU 8 HB1 GLU 8 30.591 -2.870 18.211 57 1HG GLU 8 HG2 GLU 8 30.784 -2.943 15.243 58 2HG GLU 8 HG1 GLU 8 32.267 -2.929 16.196 59 H MET 9 HN MET 9 28.765 -3.694 18.901 60 HA MET 9 HA MET 9 27.785 -5.936 17.455 61 1HB MET 9 HB2 MET 9 27.967 -5.272 20.385 62 2HB MET 9 HB1 MET 9 27.187 -6.747 19.834 63 1HG MET 9 HG2 MET 9 29.924 -6.129 18.854 64 2HG MET 9 HG1 MET 9 29.721 -6.706 20.506 65 1HE MET 9 HE2 MET 9 30.569 -7.708 17.109 66 2HE MET 9 HE1 MET 9 29.597 -9.118 16.688 67 3HE MET 9 HE3 MET 9 28.860 -7.516 16.719 68 HA PRO 10 HA PRO 10 23.476 -5.047 17.109 69 1HB PRO 10 HB2 PRO 10 22.428 -7.567 17.370 70 2HB PRO 10 HB1 PRO 10 23.191 -6.964 15.896 71 1HG PRO 10 HG2 PRO 10 24.340 -8.687 18.057 72 2HG PRO 10 HG1 PRO 10 24.520 -8.826 16.298 73 1HD PRO 10 HD2 PRO 10 26.447 -7.762 17.846 74 2HD PRO 10 HD1 PRO 10 26.125 -7.161 16.205 75 H SER 11 HN SER 11 23.141 -3.843 19.001 76 HA SER 11 HA SER 11 22.767 -5.061 21.559 77 1HB SER 11 HB2 SER 11 22.140 -2.848 22.324 78 2HB SER 11 HB1 SER 11 23.518 -2.698 21.235 79 HG SER 11 HG SER 11 22.304 -1.679 19.822 80 HA PRO 12 HA PRO 12 18.553 -6.337 21.653 81 1HB PRO 12 HB2 PRO 12 17.602 -4.899 23.851 82 2HB PRO 12 HB1 PRO 12 18.391 -6.477 23.912 83 1HG PRO 12 HG2 PRO 12 19.535 -3.763 24.387 84 2HG PRO 12 HG1 PRO 12 19.896 -5.295 25.204 85 1HD PRO 12 HD2 PRO 12 21.570 -4.261 23.393 86 2HD PRO 12 HD1 PRO 12 21.303 -6.014 23.500 87 H THR 13 HN THR 13 18.884 -2.849 22.365 88 HA THR 13 HA THR 13 16.331 -2.181 21.275 89 HB THR 13 HB THR 13 18.628 -0.265 21.679 90 HG1 THR 13 HG1 THR 13 16.838 -1.307 23.616 91 1HG2 THR 13 2HG2 THR 13 16.534 0.579 20.613 92 2HG2 THR 13 1HG2 THR 13 15.688 0.176 22.107 93 3HG2 THR 13 3HG2 THR 13 16.978 1.378 22.122 94 H PHE 14 HN PHE 14 16.348 -3.123 19.196 95 HA PHE 14 HA PHE 14 18.305 -2.263 17.249 96 1HB PHE 14 HB2 PHE 14 15.908 -4.081 17.123 97 2HB PHE 14 HB1 PHE 14 16.797 -3.616 15.677 98 HD1 PHE 14 HD1 PHE 14 19.351 -4.049 15.712 99 HD2 PHE 14 HD2 PHE 14 16.584 -5.925 18.345 100 HE1 PHE 14 HE1 PHE 14 20.975 -5.849 16.129 101 HE2 PHE 14 HE2 PHE 14 18.203 -7.728 18.768 102 HZ PHE 14 HZ PHE 14 20.402 -7.691 17.659 103 H LEU 15 HN LEU 15 15.209 -1.189 18.325 104 HA LEU 15 HA LEU 15 14.245 0.016 15.973 105 1HB LEU 15 HB2 LEU 15 13.807 0.619 18.890 106 2HB LEU 15 HB1 LEU 15 13.019 1.541 17.624 107 HG LEU 15 HG LEU 15 12.746 -1.448 17.747 108 1HD1 LEU 15 3HD1 LEU 15 12.096 -0.600 19.941 109 2HD1 LEU 15 2HD1 LEU 15 11.019 0.570 19.176 110 3HD1 LEU 15 1HD1 LEU 15 10.693 -1.157 19.029 111 1HD2 LEU 15 1HD2 LEU 15 12.053 -0.323 15.697 112 2HD2 LEU 15 3HD2 LEU 15 10.661 -0.981 16.558 113 3HD2 LEU 15 2HD2 LEU 15 11.004 0.748 16.629 114 H THR 16 HN THR 16 16.176 1.366 18.651 115 HA THR 16 HA THR 16 16.448 3.964 17.655 116 HB THR 16 HB THR 16 18.570 4.009 19.052 117 HG1 THR 16 HG1 THR 16 19.318 2.019 19.216 118 1HG2 THR 16 3HG2 THR 16 16.092 2.971 20.405 119 2HG2 THR 16 2HG2 THR 16 17.456 3.753 21.206 120 3HG2 THR 16 1HG2 THR 16 16.468 4.659 20.060 121 H GLN 17 HN GLN 17 18.369 1.054 17.045 122 HA GLN 17 HA GLN 17 20.449 2.252 15.586 123 1HB GLN 17 HB2 GLN 17 19.315 -0.544 15.516 124 2HB GLN 17 HB1 GLN 17 20.744 -0.066 14.611 125 1HG GLN 17 HG2 GLN 17 21.860 0.540 16.702 126 2HG GLN 17 HG1 GLN 17 20.429 0.045 17.603 127 1HE2 GLN 17 1HE2 GLN 17 20.189 -2.049 18.138 128 2HE2 GLN 17 2HE2 GLN 17 21.255 -3.317 17.647 129 H VAL 18 HN VAL 18 17.357 0.872 14.525 130 HA VAL 18 HA VAL 18 17.346 0.698 11.895 131 HB VAL 18 HB VAL 18 15.304 2.260 13.474 132 1HG1 VAL 18 1HG1 VAL 18 15.269 1.326 10.619 133 2HG1 VAL 18 3HG1 VAL 18 13.785 1.593 11.533 134 3HG1 VAL 18 2HG1 VAL 18 14.905 2.928 11.262 135 1HG2 VAL 18 2HG2 VAL 18 15.965 -0.461 13.450 136 2HG2 VAL 18 1HG2 VAL 18 14.539 0.290 14.164 137 3HG2 VAL 18 3HG2 VAL 18 14.479 -0.322 12.512 138 H LYS 19 HN LYS 19 17.132 3.915 13.444 139 HA LYS 19 HA LYS 19 16.995 5.486 11.184 140 1HB LYS 19 HB2 LYS 19 18.060 5.927 13.933 141 2HB LYS 19 HB1 LYS 19 18.396 7.144 12.710 142 1HG LYS 19 HG2 LYS 19 16.463 7.955 13.627 143 2HG LYS 19 HG1 LYS 19 15.825 7.010 12.280 144 1HD LYS 19 HD2 LYS 19 16.178 5.488 14.761 145 2HD LYS 19 HD1 LYS 19 15.004 6.799 14.877 146 1HE LYS 19 HE2 LYS 19 13.713 5.916 13.092 147 2HE LYS 19 HE1 LYS 19 14.978 4.770 12.654 148 1HZ LYS 19 HZ2 LYS 19 14.623 3.718 14.864 149 2HZ LYS 19 HZ1 LYS 19 13.281 4.724 15.088 150 3HZ LYS 19 HZ3 LYS 19 13.295 3.599 13.824 151 H GLU 20 HN GLU 20 19.970 4.526 12.890 152 HA GLU 20 HA GLU 20 21.745 5.686 11.029 153 1HB GLU 20 HB2 GLU 20 22.182 3.389 12.946 154 2HB GLU 20 HB1 GLU 20 23.461 4.235 12.085 155 1HG GLU 20 HG2 GLU 20 23.573 5.363 14.035 156 2HG GLU 20 HG1 GLU 20 22.326 6.332 13.255 157 H SER 21 HN SER 21 20.090 2.631 11.140 158 HA SER 21 HA SER 21 21.623 1.198 9.259 159 1HB SER 21 HB2 SER 21 18.649 0.866 9.675 160 2HB SER 21 HB1 SER 21 19.814 -0.354 9.162 161 HG SER 21 HG SER 21 19.146 -0.407 11.437 162 H LEU 22 HN LEU 22 19.017 3.533 8.890 163 HA LEU 22 HA LEU 22 18.552 3.048 6.124 164 1HB LEU 22 HB2 LEU 22 16.951 4.158 7.705 165 2HB LEU 22 HB1 LEU 22 17.987 5.572 7.678 166 HG LEU 22 HG LEU 22 17.610 5.704 5.196 167 1HD1 LEU 22 2HD1 LEU 22 15.572 3.572 5.816 168 2HD1 LEU 22 1HD1 LEU 22 15.619 4.512 4.325 169 3HD1 LEU 22 3HD1 LEU 22 16.957 3.439 4.734 170 1HD2 LEU 22 3HD2 LEU 22 15.195 5.895 6.994 171 2HD2 LEU 22 2HD2 LEU 22 16.405 7.150 6.723 172 3HD2 LEU 22 1HD2 LEU 22 15.347 6.645 5.405 173 H SER 23 HN SER 23 20.700 5.198 7.916 174 HA SER 23 HA SER 23 21.492 6.870 5.816 175 1HB SER 23 HB2 SER 23 23.217 5.949 8.126 176 2HB SER 23 HB1 SER 23 23.436 7.412 7.166 177 HG SER 23 HG SER 23 21.691 6.896 9.239 178 H SER 24 HN SER 24 22.879 3.803 6.952 179 HA SER 24 HA SER 24 24.968 3.676 5.054 180 1HB SER 24 HB2 SER 24 23.758 1.877 7.035 181 2HB SER 24 HB1 SER 24 24.403 1.042 5.622 182 HG SER 24 HG SER 24 26.291 1.332 6.465 183 H TYR 25 HN TYR 25 21.575 3.107 4.799 184 HA TYR 25 HA TYR 25 21.725 1.405 2.479 185 1HB TYR 25 HB2 TYR 25 19.831 1.412 4.172 186 2HB TYR 25 HB1 TYR 25 19.311 2.936 3.457 187 HD1 TYR 25 HD1 TYR 25 19.616 -0.682 2.940 188 HD2 TYR 25 HD2 TYR 25 18.299 2.997 1.255 189 HE1 TYR 25 HE1 TYR 25 18.353 -1.922 1.234 190 HE2 TYR 25 HE2 TYR 25 17.031 1.766 -0.454 191 HH TYR 25 HH TYR 25 16.026 -1.037 -0.339 192 H TRP 26 HN TRP 26 21.132 4.833 3.133 193 HA TRP 26 HA TRP 26 20.430 5.594 0.512 194 1HB TRP 26 HB2 TRP 26 21.515 7.090 2.884 195 2HB TRP 26 HB1 TRP 26 21.279 7.900 1.338 196 HD1 TRP 26 HD1 TRP 26 19.539 7.434 4.456 197 HE1 TRP 26 HE1 TRP 26 16.999 7.751 4.199 198 HE3 TRP 26 HE3 TRP 26 19.193 7.136 -0.636 199 HZ2 TRP 26 HZ2 TRP 26 15.098 7.860 2.115 200 HZ3 TRP 26 HZ3 TRP 26 16.977 7.357 -1.682 201 HH2 TRP 26 HH2 TRP 26 14.973 7.711 -0.334 202 H GLU 27 HN GLU 27 23.542 5.381 2.155 203 HA GLU 27 HA GLU 27 25.291 6.642 0.521 204 1HB GLU 27 HB2 GLU 27 25.870 5.316 2.569 205 2HB GLU 27 HB1 GLU 27 25.766 3.856 1.594 206 1HG GLU 27 HG2 GLU 27 27.491 5.818 0.365 207 2HG GLU 27 HG1 GLU 27 28.005 5.442 2.009 208 H SER 28 HN SER 28 24.345 3.238 0.082 209 HA SER 28 HA SER 28 25.357 3.251 -2.639 210 1HB SER 28 HB2 SER 28 24.658 0.832 -2.596 211 2HB SER 28 HB1 SER 28 25.836 1.276 -1.363 212 HG SER 28 HG SER 28 23.119 0.639 -1.090 213 H ALA 29 HN ALA 29 22.416 4.003 -1.127 214 HA ALA 29 HA ALA 29 20.527 2.928 -2.910 215 1HB ALA 29 HB2 ALA 29 19.865 3.893 -0.788 216 2HB ALA 29 HB3 ALA 29 19.017 4.693 -2.110 217 3HB ALA 29 HB1 ALA 29 20.380 5.491 -1.328 218 H LYS 30 HN LYS 30 22.503 5.847 -3.125 219 HA LYS 30 HA LYS 30 21.212 7.192 -5.167 220 1HB LYS 30 HB2 LYS 30 24.134 6.997 -4.473 221 2HB LYS 30 HB1 LYS 30 23.555 8.031 -5.772 222 1HG LYS 30 HG2 LYS 30 22.419 9.441 -4.312 223 2HG LYS 30 HG1 LYS 30 22.420 8.249 -3.011 224 1HD LYS 30 HD2 LYS 30 25.074 8.560 -3.369 225 2HD LYS 30 HD1 LYS 30 24.510 10.165 -3.838 226 1HE LYS 30 HE2 LYS 30 24.818 10.446 -1.577 227 2HE LYS 30 HE1 LYS 30 23.114 9.998 -1.635 228 1HZ LYS 30 HZ1 LYS 30 23.815 7.681 -1.180 229 2HZ LYS 30 HZ3 LYS 30 25.401 8.231 -0.959 230 3HZ LYS 30 HZ2 LYS 30 24.172 8.751 0.081 231 H THR 31 HN THR 31 23.878 4.863 -5.582 232 HA THR 31 HA THR 31 23.996 4.784 -8.331 233 HB THR 31 HB THR 31 24.885 2.499 -8.124 234 HG1 THR 31 HG1 THR 31 23.860 1.410 -6.626 235 1HG2 THR 31 2HG2 THR 31 26.281 4.485 -7.424 236 2HG2 THR 31 1HG2 THR 31 25.901 4.037 -5.761 237 3HG2 THR 31 3HG2 THR 31 26.773 2.910 -6.801 238 H ALA 32 HN ALA 32 21.708 3.241 -6.164 239 HA ALA 32 HA ALA 32 20.429 1.576 -8.048 240 1HB ALA 32 HB2 ALA 32 18.850 2.791 -5.836 241 2HB ALA 32 HB1 ALA 32 18.892 1.125 -6.411 242 3HB ALA 32 HB3 ALA 32 20.213 1.750 -5.423 243 H ALA 33 HN ALA 33 19.816 4.932 -7.026 244 HA ALA 33 HA ALA 33 17.478 5.460 -8.394 245 1HB ALA 33 HB3 ALA 33 18.717 7.018 -6.850 246 2HB ALA 33 HB2 ALA 33 19.752 7.423 -8.220 247 3HB ALA 33 HB1 ALA 33 18.024 7.770 -8.289 248 H GLN 34 HN GLN 34 20.776 5.888 -9.660 249 HA GLN 34 HA GLN 34 19.948 6.547 -12.284 250 1HB GLN 34 HB2 GLN 34 22.555 5.401 -11.260 251 2HB GLN 34 HB1 GLN 34 22.307 5.944 -12.912 252 1HG GLN 34 HG2 GLN 34 23.243 7.818 -12.055 253 2HG GLN 34 HG1 GLN 34 21.554 8.163 -11.686 254 1HE2 GLN 34 1HE2 GLN 34 21.116 8.730 -9.671 255 2HE2 GLN 34 2HE2 GLN 34 22.103 8.410 -8.290 256 H ASN 35 HN ASN 35 20.698 3.526 -10.645 257 HA ASN 35 HA ASN 35 20.676 1.836 -12.899 258 1HB ASN 35 HB2 ASN 35 21.452 1.298 -10.508 259 2HB ASN 35 HB1 ASN 35 19.755 0.977 -10.162 260 1HD2 ASN 35 1HD2 ASN 35 22.341 0.115 -12.429 261 2HD2 ASN 35 2HD2 ASN 35 21.841 -1.526 -12.639 262 H LEU 36 HN LEU 36 18.107 3.301 -11.100 263 HA LEU 36 HA LEU 36 15.963 1.628 -11.749 264 1HB LEU 36 HB2 LEU 36 16.163 3.878 -10.295 265 2HB LEU 36 HB1 LEU 36 15.535 4.576 -11.774 266 HG LEU 36 HG LEU 36 13.754 4.096 -10.161 267 1HD1 LEU 36 2HD1 LEU 36 13.438 3.922 -12.672 268 2HD1 LEU 36 1HD1 LEU 36 13.492 2.173 -12.452 269 3HD1 LEU 36 3HD1 LEU 36 12.233 3.123 -11.663 270 1HD2 LEU 36 1HD2 LEU 36 14.956 2.107 -9.165 271 2HD2 LEU 36 3HD2 LEU 36 13.220 1.921 -9.418 272 3HD2 LEU 36 2HD2 LEU 36 14.358 1.174 -10.539 273 H TYR 37 HN TYR 37 17.416 4.387 -13.364 274 HA TYR 37 HA TYR 37 15.783 4.374 -15.681 275 1HB TYR 37 HB2 TYR 37 18.495 5.510 -15.047 276 2HB TYR 37 HB1 TYR 37 17.860 5.577 -16.687 277 HD1 TYR 37 HD1 TYR 37 17.455 6.802 -13.251 278 HD2 TYR 37 HD2 TYR 37 16.009 7.031 -17.246 279 HE1 TYR 37 HE1 TYR 37 16.198 8.835 -12.673 280 HE2 TYR 37 HE2 TYR 37 14.749 9.063 -16.679 281 HH TYR 37 HH TYR 37 15.221 10.986 -14.525 282 H GLU 38 HN GLU 38 18.742 2.702 -14.773 283 HA GLU 38 HA GLU 38 19.473 1.671 -17.272 284 1HB GLU 38 HB2 GLU 38 20.050 0.973 -14.456 285 2HB GLU 38 HB1 GLU 38 20.300 -0.310 -15.630 286 1HG GLU 38 HG2 GLU 38 22.371 0.751 -15.421 287 2HG GLU 38 HG1 GLU 38 21.698 1.348 -16.936 288 H LYS 39 HN LYS 39 17.514 0.178 -14.735 289 HA LYS 39 HA LYS 39 16.902 -2.200 -16.031 290 1HB LYS 39 HB2 LYS 39 15.660 -0.640 -13.819 291 2HB LYS 39 HB1 LYS 39 14.744 -1.974 -14.508 292 1HG LYS 39 HG2 LYS 39 17.572 -2.351 -13.599 293 2HG LYS 39 HG1 LYS 39 16.226 -2.420 -12.461 294 1HD LYS 39 HD2 LYS 39 15.182 -4.142 -13.982 295 2HD LYS 39 HD1 LYS 39 16.714 -4.180 -14.857 296 1HE LYS 39 HE2 LYS 39 17.837 -4.725 -12.685 297 2HE LYS 39 HE1 LYS 39 16.235 -4.886 -11.966 298 1HZ LYS 39 HZ3 LYS 39 15.764 -6.605 -13.674 299 2HZ LYS 39 HZ2 LYS 39 17.383 -6.524 -14.159 300 3HZ LYS 39 HZ1 LYS 39 16.993 -7.036 -12.594 301 H THR 40 HN THR 40 15.785 0.951 -16.833 302 HA THR 40 HA THR 40 13.247 0.109 -17.896 303 HB THR 40 HB THR 40 12.965 2.307 -18.716 304 HG1 THR 40 HG1 THR 40 14.627 3.014 -19.788 305 1HG2 THR 40 3HG2 THR 40 13.100 2.168 -16.221 306 2HG2 THR 40 2HG2 THR 40 14.754 2.763 -16.352 307 3HG2 THR 40 1HG2 THR 40 13.413 3.759 -16.913 308 H TYR 41 HN TYR 41 16.447 0.714 -19.197 309 HA TYR 41 HA TYR 41 15.816 0.310 -21.924 310 1HB TYR 41 HB2 TYR 41 18.524 -0.273 -20.748 311 2HB TYR 41 HB1 TYR 41 18.134 0.358 -22.344 312 HD1 TYR 41 HD1 TYR 41 19.633 1.246 -19.431 313 HD2 TYR 41 HD2 TYR 41 16.577 2.662 -22.030 314 HE1 TYR 41 HE1 TYR 41 19.991 3.531 -18.598 315 HE2 TYR 41 HE2 TYR 41 16.928 4.951 -21.205 316 HH TYR 41 HH TYR 41 18.005 5.874 -18.737 317 H LEU 42 HN LEU 42 17.056 -1.920 -19.434 318 HA LEU 42 HA LEU 42 17.051 -4.135 -21.311 319 1HB LEU 42 HB2 LEU 42 17.775 -3.952 -18.391 320 2HB LEU 42 HB1 LEU 42 17.840 -5.441 -19.314 321 HG LEU 42 HG LEU 42 19.373 -3.918 -20.898 322 1HD1 LEU 42 3HD1 LEU 42 19.558 -2.707 -18.156 323 2HD1 LEU 42 2HD1 LEU 42 20.890 -2.631 -19.310 324 3HD1 LEU 42 1HD1 LEU 42 19.336 -1.896 -19.707 325 1HD2 LEU 42 2HD2 LEU 42 20.299 -5.307 -18.385 326 2HD2 LEU 42 1HD2 LEU 42 19.991 -6.073 -19.944 327 3HD2 LEU 42 3HD2 LEU 42 21.307 -4.910 -19.778 328 HA PRO 43 HA PRO 43 13.007 -5.550 -20.068 329 1HB PRO 43 HB2 PRO 43 12.846 -7.681 -21.655 330 2HB PRO 43 HB1 PRO 43 12.901 -6.049 -22.333 331 1HG PRO 43 HG2 PRO 43 15.076 -8.088 -22.123 332 2HG PRO 43 HG1 PRO 43 14.701 -6.981 -23.456 333 1HD PRO 43 HD2 PRO 43 16.660 -6.570 -21.521 334 2HD PRO 43 HD1 PRO 43 15.952 -5.310 -22.551 335 H ALA 44 HN ALA 44 15.314 -6.334 -18.340 336 HA ALA 44 HA ALA 44 15.275 -9.107 -17.803 337 1HB ALA 44 HB1 ALA 44 16.063 -6.806 -16.022 338 2HB ALA 44 HB3 ALA 44 16.396 -8.508 -15.696 339 3HB ALA 44 HB2 ALA 44 17.122 -7.719 -17.097 340 H VAL 45 HN VAL 45 12.995 -6.679 -17.073 341 HA VAL 45 HA VAL 45 11.911 -7.194 -14.657 342 HB VAL 45 HB VAL 45 10.319 -6.753 -17.189 343 1HG1 VAL 45 1HG1 VAL 45 9.597 -6.544 -14.281 344 2HG1 VAL 45 3HG1 VAL 45 8.711 -5.669 -15.529 345 3HG1 VAL 45 2HG1 VAL 45 8.770 -7.432 -15.561 346 1HG2 VAL 45 3HG2 VAL 45 11.715 -4.885 -15.300 347 2HG2 VAL 45 2HG2 VAL 45 11.798 -4.949 -17.061 348 3HG2 VAL 45 1HG2 VAL 45 10.340 -4.352 -16.267 349 H ASP 46 HN ASP 46 10.884 -8.919 -17.618 350 HA ASP 46 HA ASP 46 9.182 -10.729 -16.329 351 1HB ASP 46 HB2 ASP 46 9.332 -10.226 -18.819 352 2HB ASP 46 HB1 ASP 46 10.704 -11.330 -18.864 353 H GLU 47 HN GLU 47 12.658 -10.862 -16.923 354 HA GLU 47 HA GLU 47 12.983 -13.612 -16.258 355 1HB GLU 47 HB2 GLU 47 14.624 -11.985 -17.454 356 2HB GLU 47 HB1 GLU 47 15.133 -11.558 -15.828 357 1HG GLU 47 HG2 GLU 47 15.112 -14.383 -16.854 358 2HG GLU 47 HG1 GLU 47 16.505 -13.312 -16.993 359 H LYS 48 HN LYS 48 13.478 -10.635 -14.367 360 HA LYS 48 HA LYS 48 14.267 -11.792 -11.965 361 1HB LYS 48 HB2 LYS 48 12.717 -9.249 -12.465 362 2HB LYS 48 HB1 LYS 48 13.398 -9.691 -10.905 363 1HG LYS 48 HG2 LYS 48 15.040 -9.385 -13.408 364 2HG LYS 48 HG1 LYS 48 14.760 -8.083 -12.250 365 1HD LYS 48 HD2 LYS 48 16.640 -8.844 -11.279 366 2HD LYS 48 HD1 LYS 48 15.586 -10.090 -10.609 367 1HE LYS 48 HE2 LYS 48 16.103 -11.427 -12.714 368 2HE LYS 48 HE1 LYS 48 17.391 -10.259 -13.007 369 1HZ LYS 48 HZ1 LYS 48 17.140 -11.835 -10.504 370 2HZ LYS 48 HZ3 LYS 48 18.099 -12.306 -11.816 371 3HZ LYS 48 HZ2 LYS 48 18.448 -10.876 -10.984 372 H LEU 49 HN LEU 49 11.110 -11.686 -13.412 373 HA LEU 49 HA LEU 49 9.533 -12.003 -11.095 374 1HB LEU 49 HB2 LEU 49 9.035 -11.753 -13.799 375 2HB LEU 49 HB1 LEU 49 8.557 -13.408 -13.478 376 HG LEU 49 HG LEU 49 6.642 -11.929 -13.313 377 1HD1 LEU 49 1HD1 LEU 49 6.836 -13.900 -11.803 378 2HD1 LEU 49 3HD1 LEU 49 7.440 -12.819 -10.548 379 3HD1 LEU 49 2HD1 LEU 49 5.807 -12.610 -11.180 380 1HD2 LEU 49 3HD2 LEU 49 7.982 -9.906 -12.678 381 2HD2 LEU 49 2HD2 LEU 49 6.492 -10.130 -11.762 382 3HD2 LEU 49 1HD2 LEU 49 8.044 -10.544 -11.036 383 H ARG 50 HN ARG 50 10.418 -14.479 -13.513 384 HA ARG 50 HA ARG 50 9.780 -16.677 -11.859 385 1HB ARG 50 HB2 ARG 50 11.297 -16.306 -14.404 386 2HB ARG 50 HB1 ARG 50 11.486 -17.826 -13.540 387 1HG ARG 50 HG2 ARG 50 8.828 -16.683 -14.368 388 2HG ARG 50 HG1 ARG 50 9.747 -17.849 -15.320 389 1HD ARG 50 HD2 ARG 50 8.812 -19.489 -14.148 390 2HD ARG 50 HD1 ARG 50 9.620 -18.880 -12.705 391 HE ARG 50 HE ARG 50 7.143 -17.546 -13.362 392 1HH1 ARG 50 1HH1 ARG 50 8.637 -20.164 -11.577 393 2HH1 ARG 50 2HH1 ARG 50 7.328 -20.304 -10.452 394 1HH2 ARG 50 1HH2 ARG 50 5.425 -17.738 -11.879 395 2HH2 ARG 50 2HH2 ARG 50 5.505 -18.929 -10.623 396 H ASP 51 HN ASP 51 12.655 -14.716 -12.242 397 HA ASP 51 HA ASP 51 14.584 -16.369 -11.100 398 1HB ASP 51 HB2 ASP 51 14.785 -14.000 -12.189 399 2HB ASP 51 HB1 ASP 51 14.563 -13.419 -10.542 400 H LEU 52 HN LEU 52 12.501 -13.961 -9.495 401 HA LEU 52 HA LEU 52 13.398 -14.515 -6.871 402 1HB LEU 52 HB2 LEU 52 12.102 -12.478 -7.739 403 2HB LEU 52 HB1 LEU 52 10.664 -13.465 -7.556 404 HG LEU 52 HG LEU 52 11.555 -13.780 -5.101 405 1HD1 LEU 52 2HD1 LEU 52 13.680 -12.638 -5.470 406 2HD1 LEU 52 1HD1 LEU 52 12.818 -11.162 -5.904 407 3HD1 LEU 52 3HD1 LEU 52 12.705 -11.800 -4.264 408 1HD2 LEU 52 3HD2 LEU 52 9.436 -12.737 -5.713 409 2HD2 LEU 52 2HD2 LEU 52 10.230 -11.846 -4.414 410 3HD2 LEU 52 1HD2 LEU 52 10.273 -11.224 -6.063 411 H TYR 53 HN TYR 53 11.025 -16.033 -8.936 412 HA TYR 53 HA TYR 53 9.570 -17.405 -6.925 413 1HB TYR 53 HB2 TYR 53 9.772 -17.498 -9.869 414 2HB TYR 53 HB1 TYR 53 9.290 -19.009 -9.108 415 HD1 TYR 53 HD1 TYR 53 8.201 -15.811 -10.238 416 HD2 TYR 53 HD2 TYR 53 7.303 -18.922 -7.478 417 HE1 TYR 53 HE1 TYR 53 5.897 -14.975 -10.054 418 HE2 TYR 53 HE2 TYR 53 4.996 -18.094 -7.287 419 HH TYR 53 HH TYR 53 3.966 -15.368 -7.848 420 H SER 54 HN SER 54 12.385 -18.284 -8.902 421 HA SER 54 HA SER 54 12.624 -20.952 -8.059 422 1HB SER 54 HB2 SER 54 13.841 -19.825 -9.992 423 2HB SER 54 HB1 SER 54 14.948 -19.164 -8.789 424 HG SER 54 HG SER 54 15.809 -21.085 -8.507 425 H LYS 55 HN LYS 55 14.216 -18.003 -6.840 426 HA LYS 55 HA LYS 55 15.647 -19.233 -4.755 427 1HB LYS 55 HB2 LYS 55 15.947 -16.882 -5.706 428 2HB LYS 55 HB1 LYS 55 14.599 -16.405 -4.683 429 1HG LYS 55 HG2 LYS 55 16.333 -15.870 -3.314 430 2HG LYS 55 HG1 LYS 55 16.064 -17.538 -2.807 431 1HD LYS 55 HD2 LYS 55 17.847 -18.290 -4.293 432 2HD LYS 55 HD1 LYS 55 18.099 -16.633 -4.846 433 1HE LYS 55 HE2 LYS 55 18.283 -17.313 -1.935 434 2HE LYS 55 HE1 LYS 55 19.648 -17.613 -3.010 435 1HZ LYS 55 HZ1 LYS 55 19.595 -15.261 -3.637 436 2HZ LYS 55 HZ3 LYS 55 18.332 -14.990 -2.543 437 3HZ LYS 55 HZ2 LYS 55 19.855 -15.461 -1.978 438 H SER 56 HN SER 56 12.440 -17.704 -4.814 439 HA SER 56 HA SER 56 11.878 -17.925 -2.072 440 1HB SER 56 HB2 SER 56 10.130 -17.673 -4.508 441 2HB SER 56 HB1 SER 56 9.439 -17.808 -2.891 442 HG SER 56 HG SER 56 10.847 -15.720 -4.061 443 H THR 57 HN THR 57 11.975 -20.428 -4.458 444 HA THR 57 HA THR 57 10.006 -22.163 -3.519 445 HB THR 57 HB THR 57 12.689 -22.872 -4.727 446 HG1 THR 57 HG1 THR 57 11.818 -21.932 -6.386 447 1HG2 THR 57 1HG2 THR 57 10.163 -24.480 -4.477 448 2HG2 THR 57 3HG2 THR 57 11.483 -24.876 -5.578 449 3HG2 THR 57 2HG2 THR 57 11.760 -24.870 -3.837 450 H ALA 58 HN ALA 58 13.490 -22.172 -2.708 451 HA ALA 58 HA ALA 58 12.987 -23.935 -0.452 452 1HB ALA 58 HB1 ALA 58 14.936 -24.344 -1.857 453 2HB ALA 58 HB3 ALA 58 15.571 -22.749 -1.455 454 3HB ALA 58 HB2 ALA 58 15.415 -23.978 -0.199 455 H ALA 59 HN ALA 59 14.108 -20.616 -1.025 456 HA ALA 59 HA ALA 59 14.699 -19.953 1.640 457 1HB ALA 59 HB1 ALA 59 14.652 -17.641 0.914 458 2HB ALA 59 HB2 ALA 59 13.806 -18.100 -0.564 459 3HB ALA 59 HB3 ALA 59 15.461 -18.645 -0.291 460 H MET 60 HN MET 60 11.809 -18.967 -0.235 461 HA MET 60 HA MET 60 10.418 -17.924 1.965 462 1HB MET 60 HB2 MET 60 10.015 -17.825 -0.679 463 2HB MET 60 HB1 MET 60 8.834 -19.060 -0.272 464 1HG MET 60 HG2 MET 60 8.367 -17.136 1.624 465 2HG MET 60 HG1 MET 60 8.783 -16.189 0.197 466 1HE MET 60 HE2 MET 60 6.174 -16.527 2.021 467 2HE MET 60 HE1 MET 60 5.848 -15.374 0.726 468 3HE MET 60 HE3 MET 60 4.759 -16.737 0.988 469 H SER 61 HN SER 61 10.795 -21.225 0.923 470 HA SER 61 HA SER 61 8.458 -22.295 2.110 471 1HB SER 61 HB2 SER 61 9.709 -23.545 0.435 472 2HB SER 61 HB1 SER 61 11.108 -23.626 1.504 473 HG SER 61 HG SER 61 10.206 -25.223 2.540 474 H THR 62 HN THR 62 11.379 -21.146 3.512 475 HA THR 62 HA THR 62 10.907 -22.636 5.991 476 HB THR 62 HB THR 62 13.108 -21.730 6.708 477 HG1 THR 62 HG1 THR 62 13.675 -19.999 5.661 478 1HG2 THR 62 3HG2 THR 62 13.027 -23.894 5.548 479 2HG2 THR 62 2HG2 THR 62 13.269 -23.057 4.014 480 3HG2 THR 62 1HG2 THR 62 14.526 -23.012 5.251 481 H TYR 63 HN TYR 63 11.406 -19.297 4.853 482 HA TYR 63 HA TYR 63 10.804 -18.051 7.297 483 1HB TYR 63 HB2 TYR 63 12.033 -16.967 5.417 484 2HB TYR 63 HB1 TYR 63 10.524 -16.901 4.512 485 HD1 TYR 63 HD1 TYR 63 9.177 -15.016 4.687 486 HD2 TYR 63 HD2 TYR 63 12.015 -15.809 7.756 487 HE1 TYR 63 HE1 TYR 63 8.642 -12.856 5.733 488 HE2 TYR 63 HE2 TYR 63 11.488 -13.651 8.810 489 HH TYR 63 HH TYR 63 10.305 -11.231 7.558 490 H THR 64 HN THR 64 8.784 -19.510 4.896 491 HA THR 64 HA THR 64 6.457 -17.958 5.429 492 HB THR 64 HB THR 64 6.958 -20.572 4.053 493 HG1 THR 64 HG1 THR 64 7.132 -18.911 2.690 494 1HG2 THR 64 2HG2 THR 64 4.258 -19.552 4.871 495 2HG2 THR 64 1HG2 THR 64 4.495 -20.590 3.466 496 3HG2 THR 64 3HG2 THR 64 4.932 -21.170 5.073 497 H GLY 65 HN GLY 65 7.305 -21.278 6.400 498 1HA GLY 65 HA1 GLY 65 6.685 -22.493 8.254 499 2HA GLY 65 HA2 GLY 65 5.225 -21.509 8.304 500 H ILE 66 HN ILE 66 8.560 -20.381 8.500 501 HA ILE 66 HA ILE 66 8.709 -20.118 11.311 502 HB ILE 66 HB ILE 66 10.243 -18.798 9.078 503 1HG1 ILE 66 2HG1 ILE 66 10.617 -21.215 9.528 504 2HG1 ILE 66 1HG1 ILE 66 12.053 -20.237 9.806 505 1HG2 ILE 66 1HG2 ILE 66 10.446 -18.322 12.032 506 2HG2 ILE 66 3HG2 ILE 66 11.840 -18.118 10.970 507 3HG2 ILE 66 2HG2 ILE 66 10.391 -17.146 10.718 508 1HD1 ILE 66 3HD1 ILE 66 11.615 -20.301 12.213 509 2HD1 ILE 66 2HD1 ILE 66 10.196 -21.305 11.918 510 3HD1 ILE 66 1HD1 ILE 66 11.803 -21.915 11.528 511 H PHE 67 HN PHE 67 8.265 -17.594 8.821 512 HA PHE 67 HA PHE 67 7.745 -15.444 10.480 513 1HB PHE 67 HB2 PHE 67 8.037 -15.195 8.065 514 2HB PHE 67 HB1 PHE 67 6.505 -16.011 7.778 515 HD1 PHE 67 HD1 PHE 67 7.968 -13.021 9.431 516 HD2 PHE 67 HD2 PHE 67 4.545 -14.783 7.617 517 HE1 PHE 67 HE1 PHE 67 6.803 -10.856 9.534 518 HE2 PHE 67 HE2 PHE 67 3.375 -12.621 7.716 519 HZ PHE 67 HZ PHE 67 4.504 -10.654 8.674 520 H THR 68 HN THR 68 5.322 -17.597 9.000 521 HA THR 68 HA THR 68 3.112 -16.485 10.340 522 HB THR 68 HB THR 68 3.351 -19.291 9.251 523 HG1 THR 68 HG1 THR 68 2.700 -16.861 7.944 524 1HG2 THR 68 2HG2 THR 68 0.987 -17.530 9.807 525 2HG2 THR 68 1HG2 THR 68 0.919 -18.905 8.704 526 3HG2 THR 68 3HG2 THR 68 1.310 -19.158 10.405 527 H ASP 69 HN ASP 69 5.531 -18.687 11.397 528 HA ASP 69 HA ASP 69 4.146 -20.137 13.352 529 1HB ASP 69 HB2 ASP 69 6.539 -20.512 12.610 530 2HB ASP 69 HB1 ASP 69 6.992 -19.162 13.644 531 H GLN 70 HN GLN 70 6.030 -17.137 13.774 532 HA GLN 70 HA GLN 70 5.150 -16.710 16.444 533 1HB GLN 70 HB2 GLN 70 6.512 -14.926 14.432 534 2HB GLN 70 HB1 GLN 70 6.102 -14.380 16.052 535 1HG GLN 70 HG2 GLN 70 8.317 -15.020 16.241 536 2HG GLN 70 HG1 GLN 70 7.436 -16.414 16.863 537 1HE2 GLN 70 1HE2 GLN 70 8.754 -15.148 13.812 538 2HE2 GLN 70 2HE2 GLN 70 9.310 -16.674 13.224 539 H VAL 71 HN VAL 71 3.847 -15.882 13.338 540 HA VAL 71 HA VAL 71 2.148 -13.754 14.157 541 HB VAL 71 HB VAL 71 1.901 -15.640 11.797 542 1HG1 VAL 71 1HG1 VAL 71 0.361 -13.160 12.522 543 2HG1 VAL 71 3HG1 VAL 71 0.446 -13.781 10.873 544 3HG1 VAL 71 2HG1 VAL 71 -0.263 -14.768 12.151 545 1HG2 VAL 71 3HG2 VAL 71 3.873 -13.882 12.153 546 2HG2 VAL 71 2HG2 VAL 71 3.168 -14.206 10.569 547 3HG2 VAL 71 1HG2 VAL 71 2.658 -12.789 11.488 548 H LEU 72 HN LEU 72 1.569 -17.186 13.476 549 HA LEU 72 HA LEU 72 -1.085 -17.326 14.348 550 1HB LEU 72 HB2 LEU 72 0.288 -19.082 13.079 551 2HB LEU 72 HB1 LEU 72 0.920 -19.557 14.644 552 HG LEU 72 HG LEU 72 -1.535 -19.885 15.334 553 1HD1 LEU 72 3HD1 LEU 72 -1.838 -19.838 12.335 554 2HD1 LEU 72 2HD1 LEU 72 -3.052 -20.419 13.475 555 3HD1 LEU 72 1HD1 LEU 72 -2.575 -18.721 13.483 556 1HD2 LEU 72 3HD2 LEU 72 0.040 -21.717 14.987 557 2HD2 LEU 72 2HD2 LEU 72 -1.568 -22.141 14.399 558 3HD2 LEU 72 1HD2 LEU 72 -0.301 -21.691 13.257 559 H SER 73 HN SER 73 1.993 -17.489 16.039 560 HA SER 73 HA SER 73 1.081 -18.372 18.536 561 1HB SER 73 HB2 SER 73 3.512 -17.999 17.703 562 2HB SER 73 HB1 SER 73 3.291 -16.347 18.277 563 HG SER 73 HG SER 73 4.163 -17.558 19.936 564 H VAL 74 HN VAL 74 1.160 -15.156 17.118 565 HA VAL 74 HA VAL 74 0.310 -13.797 19.484 566 HB VAL 74 HB VAL 74 0.047 -12.868 16.616 567 1HG1 VAL 74 1HG1 VAL 74 -0.166 -11.482 19.267 568 2HG1 VAL 74 3HG1 VAL 74 0.273 -10.598 17.805 569 3HG1 VAL 74 2HG1 VAL 74 -1.275 -11.437 17.897 570 1HG2 VAL 74 3HG2 VAL 74 2.387 -13.278 18.239 571 2HG2 VAL 74 2HG2 VAL 74 2.267 -12.754 16.559 572 3HG2 VAL 74 1HG2 VAL 74 2.195 -11.567 17.860 573 H LEU 75 HN LEU 75 -1.312 -15.731 17.160 574 HA LEU 75 HA LEU 75 -3.873 -14.539 17.210 575 1HB LEU 75 HB2 LEU 75 -2.730 -16.636 15.860 576 2HB LEU 75 HB1 LEU 75 -3.832 -17.458 16.947 577 HG LEU 75 HG LEU 75 -4.914 -17.087 14.822 578 1HD1 LEU 75 2HD1 LEU 75 -6.211 -16.854 16.963 579 2HD1 LEU 75 1HD1 LEU 75 -6.073 -15.106 16.768 580 3HD1 LEU 75 3HD1 LEU 75 -6.922 -16.065 15.555 581 1HD2 LEU 75 1HD2 LEU 75 -3.449 -15.025 14.343 582 2HD2 LEU 75 3HD2 LEU 75 -5.106 -15.039 13.741 583 3HD2 LEU 75 2HD2 LEU 75 -4.703 -14.122 15.193 584 H LYS 76 HN LYS 76 -2.292 -16.930 19.201 585 HA LYS 76 HA LYS 76 -4.572 -17.576 20.792 586 1HB LYS 76 HB2 LYS 76 -2.300 -18.856 20.439 587 2HB LYS 76 HB1 LYS 76 -1.777 -17.896 21.816 588 1HG LYS 76 HG2 LYS 76 -3.566 -18.811 23.171 589 2HG LYS 76 HG1 LYS 76 -4.173 -19.720 21.787 590 1HD LYS 76 HD2 LYS 76 -2.934 -21.335 22.857 591 2HD LYS 76 HD1 LYS 76 -1.735 -20.685 21.739 592 1HE LYS 76 HE2 LYS 76 -0.549 -20.720 23.714 593 2HE LYS 76 HE1 LYS 76 -1.177 -19.073 23.710 594 1HZ LYS 76 HZ3 LYS 76 -2.389 -21.369 25.157 595 2HZ LYS 76 HZ2 LYS 76 -1.455 -20.149 25.863 596 3HZ LYS 76 HZ1 LYS 76 -2.955 -19.774 25.178 597 H GLY 77 HN GLY 77 -1.910 -15.265 21.108 598 1HA GLY 77 HA1 GLY 77 -1.519 -13.578 22.620 599 2HA GLY 77 HA2 GLY 77 -2.509 -14.463 23.770 600 H GLU 78 HN GLU 78 -2.702 -12.308 20.953 601 HA GLU 78 HA GLU 78 -5.393 -11.480 21.773 602 1HB GLU 78 HB2 GLU 78 -2.978 -9.691 21.569 603 2HB GLU 78 HB1 GLU 78 -4.612 -9.060 21.415 604 1HG GLU 78 HG2 GLU 78 -5.158 -9.843 23.640 605 2HG GLU 78 HG1 GLU 78 -3.558 -10.567 23.799 606 H GLU 79 HN GLU 79 -4.538 -13.045 19.511 607 HA GLU 79 HA GLU 79 -5.095 -13.251 17.320 608 1HB GLU 79 HB2 GLU 79 -6.998 -11.667 17.990 609 2HB GLU 79 HB1 GLU 79 -6.026 -10.386 17.279 610 1HG GLU 79 HG2 GLU 79 -6.800 -12.857 15.761 611 2HG GLU 79 HG1 GLU 79 -7.812 -11.414 15.816 No H/Q in entry = 611 Start of MODEL 3 1 H1 THR 1 HT3 THR 1 19.513 -14.839 19.134 2 H2 THR 1 HT2 THR 1 20.567 -14.422 17.844 3 H3 THR 1 HT1 THR 1 19.759 -15.936 17.840 4 HA THR 1 HA THR 1 20.986 -16.721 19.630 5 HB THR 1 HB THR 1 23.355 -16.356 18.716 6 HG1 THR 1 HG1 THR 1 23.565 -14.687 17.484 7 1HG2 THR 1 1HG2 THR 1 21.872 -18.188 17.943 8 2HG2 THR 1 3HG2 THR 1 21.316 -17.128 16.649 9 3HG2 THR 1 2HG2 THR 1 23.009 -17.613 16.724 10 H GLN 2 HN GLN 2 22.193 -13.428 18.906 11 HA GLN 2 HA GLN 2 22.490 -12.979 21.791 12 1HB GLN 2 HB2 GLN 2 24.664 -13.513 20.226 13 2HB GLN 2 HB1 GLN 2 24.597 -11.758 20.133 14 1HG GLN 2 HG2 GLN 2 24.743 -13.404 22.650 15 2HG GLN 2 HG1 GLN 2 26.056 -12.479 21.927 16 1HE2 GLN 2 1HE2 GLN 2 23.523 -12.434 24.129 17 2HE2 GLN 2 2HE2 GLN 2 23.482 -10.736 24.440 18 H GLN 3 HN GLN 3 21.693 -11.083 22.444 19 HA GLN 3 HA GLN 3 21.522 -8.843 20.580 20 1HB GLN 3 HB2 GLN 3 19.106 -8.487 21.457 21 2HB GLN 3 HB1 GLN 3 19.382 -9.654 20.174 22 1HG GLN 3 HG2 GLN 3 19.502 -10.713 22.921 23 2HG GLN 3 HG1 GLN 3 17.924 -10.149 22.375 24 1HE2 GLN 3 1HE2 GLN 3 20.115 -12.697 22.358 25 2HE2 GLN 3 2HE2 GLN 3 19.354 -13.679 21.159 26 HA PRO 4 HA PRO 4 22.557 -6.182 23.924 27 1HB PRO 4 HB2 PRO 4 20.505 -4.296 23.793 28 2HB PRO 4 HB1 PRO 4 22.009 -4.252 22.871 29 1HG PRO 4 HG2 PRO 4 19.306 -5.209 22.049 30 2HG PRO 4 HG1 PRO 4 20.527 -4.336 21.105 31 1HD PRO 4 HD2 PRO 4 20.130 -6.958 20.771 32 2HD PRO 4 HD1 PRO 4 21.760 -6.258 20.690 33 H GLN 5 HN GLN 5 19.143 -7.135 23.778 34 HA GLN 5 HA GLN 5 18.599 -6.528 26.515 35 1HB GLN 5 HB2 GLN 5 16.520 -7.863 26.150 36 2HB GLN 5 HB1 GLN 5 16.750 -6.565 24.990 37 1HG GLN 5 HG2 GLN 5 17.858 -9.128 24.129 38 2HG GLN 5 HG1 GLN 5 16.114 -9.145 24.383 39 1HE2 GLN 5 1HE2 GLN 5 15.131 -8.921 22.499 40 2HE2 GLN 5 2HE2 GLN 5 15.565 -7.807 21.254 41 H GLN 6 HN GLN 6 19.771 -9.353 24.796 42 HA GLN 6 HA GLN 6 19.378 -11.239 26.882 43 1HB GLN 6 HB2 GLN 6 19.786 -11.797 24.468 44 2HB GLN 6 HB1 GLN 6 21.464 -11.326 24.694 45 1HG GLN 6 HG2 GLN 6 21.765 -13.087 26.333 46 2HG GLN 6 HG1 GLN 6 20.065 -13.532 26.190 47 1HE2 GLN 6 1HE2 GLN 6 19.357 -14.622 24.352 48 2HE2 GLN 6 2HE2 GLN 6 20.454 -15.370 23.247 49 H ASP 7 HN ASP 7 21.918 -8.933 26.138 50 HA ASP 7 HA ASP 7 23.865 -9.990 27.936 51 1HB ASP 7 HB2 ASP 7 23.616 -7.187 26.810 52 2HB ASP 7 HB1 ASP 7 25.050 -7.869 27.568 53 H GLU 8 HN GLU 8 24.581 -7.511 29.297 54 HA GLU 8 HA GLU 8 23.004 -7.828 31.643 55 1HB GLU 8 HB2 GLU 8 25.024 -5.682 30.962 56 2HB GLU 8 HB1 GLU 8 24.376 -6.003 32.564 57 1HG GLU 8 HG2 GLU 8 26.138 -7.797 30.915 58 2HG GLU 8 HG1 GLU 8 26.550 -6.969 32.416 59 H MET 9 HN MET 9 22.971 -5.548 28.974 60 HA MET 9 HA MET 9 21.326 -3.590 30.209 61 1HB MET 9 HB2 MET 9 22.662 -3.886 27.745 62 2HB MET 9 HB1 MET 9 20.961 -3.679 27.349 63 1HG MET 9 HG2 MET 9 22.215 -1.829 29.312 64 2HG MET 9 HG1 MET 9 22.558 -1.622 27.596 65 1HE MET 9 HE1 MET 9 21.148 -0.318 26.047 66 2HE MET 9 HE3 MET 9 20.277 -1.835 25.831 67 3HE MET 9 HE2 MET 9 19.385 -0.330 26.056 68 HA PRO 10 HA PRO 10 17.556 -6.007 30.044 69 1HB PRO 10 HB2 PRO 10 15.924 -4.132 31.123 70 2HB PRO 10 HB1 PRO 10 17.048 -5.094 32.088 71 1HG PRO 10 HG2 PRO 10 17.341 -2.296 31.070 72 2HG PRO 10 HG1 PRO 10 17.755 -2.958 32.662 73 1HD PRO 10 HD2 PRO 10 19.602 -2.521 30.721 74 2HD PRO 10 HD1 PRO 10 19.757 -3.816 31.924 75 H SER 11 HN SER 11 17.737 -2.661 28.849 76 HA SER 11 HA SER 11 15.345 -2.828 27.305 77 1HB SER 11 HB2 SER 11 16.422 -0.696 28.161 78 2HB SER 11 HB1 SER 11 17.613 -0.880 26.875 79 HG SER 11 HG SER 11 16.095 -0.484 25.386 80 HA PRO 12 HA PRO 12 17.163 -5.002 23.858 81 1HB PRO 12 HB2 PRO 12 14.964 -5.167 22.330 82 2HB PRO 12 HB1 PRO 12 15.127 -6.102 23.821 83 1HG PRO 12 HG2 PRO 12 13.609 -3.575 23.326 84 2HG PRO 12 HG1 PRO 12 13.143 -4.994 24.282 85 1HD PRO 12 HD2 PRO 12 14.163 -2.664 25.343 86 2HD PRO 12 HD1 PRO 12 14.250 -4.249 26.135 87 H THR 13 HN THR 13 18.602 -3.422 23.080 88 HA THR 13 HA THR 13 17.737 -1.132 21.614 89 HB THR 13 HB THR 13 20.483 -2.345 21.391 90 HG1 THR 13 HG1 THR 13 19.438 -0.849 23.563 91 1HG2 THR 13 2HG2 THR 13 19.725 -0.205 20.156 92 2HG2 THR 13 1HG2 THR 13 19.862 0.551 21.743 93 3HG2 THR 13 3HG2 THR 13 21.269 -0.217 21.007 94 H PHE 14 HN PHE 14 16.546 -1.519 19.832 95 HA PHE 14 HA PHE 14 17.869 -2.804 17.584 96 1HB PHE 14 HB2 PHE 14 15.450 -3.904 18.932 97 2HB PHE 14 HB1 PHE 14 15.505 -3.967 17.174 98 HD1 PHE 14 HD1 PHE 14 16.266 -5.709 20.086 99 HD2 PHE 14 HD2 PHE 14 17.827 -4.861 16.217 100 HE1 PHE 14 HE1 PHE 14 17.658 -7.734 20.206 101 HE2 PHE 14 HE2 PHE 14 19.219 -6.886 16.332 102 HZ PHE 14 HZ PHE 14 19.136 -8.325 18.328 103 H LEU 15 HN LEU 15 14.832 -1.290 18.695 104 HA LEU 15 HA LEU 15 13.996 -0.370 16.173 105 1HB LEU 15 HB2 LEU 15 12.677 -0.519 18.368 106 2HB LEU 15 HB1 LEU 15 13.391 1.032 18.765 107 HG LEU 15 HG LEU 15 12.056 0.871 16.130 108 1HD1 LEU 15 2HD1 LEU 15 10.519 -0.439 17.499 109 2HD1 LEU 15 1HD1 LEU 15 10.482 0.851 18.702 110 3HD1 LEU 15 3HD1 LEU 15 9.828 1.130 17.088 111 1HD2 LEU 15 2HD2 LEU 15 12.114 2.866 18.389 112 2HD2 LEU 15 1HD2 LEU 15 12.996 2.955 16.864 113 3HD2 LEU 15 3HD2 LEU 15 11.238 3.095 16.875 114 H THR 16 HN THR 16 15.957 1.173 18.697 115 HA THR 16 HA THR 16 16.164 3.725 17.594 116 HB THR 16 HB THR 16 18.361 3.820 18.878 117 HG1 THR 16 HG1 THR 16 19.068 1.797 19.047 118 1HG2 THR 16 1HG2 THR 16 16.240 4.496 19.909 119 2HG2 THR 16 3HG2 THR 16 15.985 2.832 20.435 120 3HG2 THR 16 2HG2 THR 16 17.350 3.756 21.062 121 H GLN 17 HN GLN 17 17.780 0.768 16.665 122 HA GLN 17 HA GLN 17 19.992 1.846 15.323 123 1HB GLN 17 HB2 GLN 17 18.571 -0.742 15.330 124 2HB GLN 17 HB1 GLN 17 19.531 -0.404 13.898 125 1HG GLN 17 HG2 GLN 17 20.822 -1.650 15.515 126 2HG GLN 17 HG1 GLN 17 21.496 -0.036 15.301 127 1HE2 GLN 17 1HE2 GLN 17 21.623 1.317 17.019 128 2HE2 GLN 17 2HE2 GLN 17 21.113 0.904 18.616 129 H VAL 18 HN VAL 18 16.660 1.442 14.282 130 HA VAL 18 HA VAL 18 16.517 1.458 11.652 131 HB VAL 18 HB VAL 18 14.716 3.187 11.695 132 1HG1 VAL 18 2HG1 VAL 18 14.781 0.850 13.549 133 2HG1 VAL 18 1HG1 VAL 18 13.354 1.886 13.496 134 3HG1 VAL 18 3HG1 VAL 18 13.902 1.064 12.035 135 1HG2 VAL 18 2HG2 VAL 18 15.838 3.627 14.410 136 2HG2 VAL 18 1HG2 VAL 18 15.146 4.780 13.269 137 3HG2 VAL 18 3HG2 VAL 18 14.090 3.731 14.214 138 H LYS 19 HN LYS 19 17.457 4.445 13.376 139 HA LYS 19 HA LYS 19 17.726 6.142 11.222 140 1HB LYS 19 HB2 LYS 19 19.368 6.017 13.752 141 2HB LYS 19 HB1 LYS 19 19.430 7.353 12.612 142 1HG LYS 19 HG2 LYS 19 16.958 7.639 12.977 143 2HG LYS 19 HG1 LYS 19 17.100 6.475 14.296 144 1HD LYS 19 HD2 LYS 19 17.441 8.337 15.530 145 2HD LYS 19 HD1 LYS 19 19.097 8.158 14.947 146 1HE LYS 19 HE2 LYS 19 18.713 9.747 13.191 147 2HE LYS 19 HE1 LYS 19 16.993 9.817 13.568 148 1HZ LYS 19 HZ2 LYS 19 17.544 10.786 15.715 149 2HZ LYS 19 HZ1 LYS 19 19.194 10.723 15.346 150 3HZ LYS 19 HZ3 LYS 19 18.165 11.728 14.455 151 H GLU 20 HN GLU 20 20.287 4.100 12.622 152 HA GLU 20 HA GLU 20 22.252 4.764 10.714 153 1HB GLU 20 HB2 GLU 20 22.044 2.212 12.318 154 2HB GLU 20 HB1 GLU 20 23.496 2.855 11.563 155 1HG GLU 20 HG2 GLU 20 23.922 3.695 13.585 156 2HG GLU 20 HG1 GLU 20 22.753 4.937 13.141 157 H SER 21 HN SER 21 19.665 2.438 10.714 158 HA SER 21 HA SER 21 20.571 0.767 8.632 159 1HB SER 21 HB2 SER 21 18.596 -0.319 8.888 160 2HB SER 21 HB1 SER 21 18.431 0.702 10.314 161 HG SER 21 HG SER 21 16.936 1.857 9.333 162 H LEU 22 HN LEU 22 18.677 3.755 8.611 163 HA LEU 22 HA LEU 22 18.162 3.742 5.809 164 1HB LEU 22 HB2 LEU 22 17.848 5.685 8.037 165 2HB LEU 22 HB1 LEU 22 17.882 6.332 6.407 166 HG LEU 22 HG LEU 22 16.063 4.427 6.011 167 1HD1 LEU 22 1HD1 LEU 22 15.865 5.067 8.948 168 2HD1 LEU 22 3HD1 LEU 22 14.567 4.341 8.001 169 3HD1 LEU 22 2HD1 LEU 22 16.093 3.483 8.206 170 1HD2 LEU 22 2HD2 LEU 22 15.761 6.811 5.590 171 2HD2 LEU 22 1HD2 LEU 22 14.344 6.123 6.383 172 3HD2 LEU 22 3HD2 LEU 22 15.491 7.089 7.310 173 H SER 23 HN SER 23 20.668 5.195 7.850 174 HA SER 23 HA SER 23 21.883 6.815 5.922 175 1HB SER 23 HB2 SER 23 22.383 6.894 8.366 176 2HB SER 23 HB1 SER 23 23.267 5.378 8.199 177 HG SER 23 HG SER 23 23.941 7.944 7.337 178 H SER 24 HN SER 24 22.679 3.474 6.879 179 HA SER 24 HA SER 24 24.720 3.107 4.961 180 1HB SER 24 HB2 SER 24 24.152 1.683 7.052 181 2HB SER 24 HB1 SER 24 23.014 0.852 5.992 182 HG SER 24 HG SER 24 24.980 -0.220 5.934 183 H TYR 25 HN TYR 25 21.297 3.189 4.665 184 HA TYR 25 HA TYR 25 21.155 1.583 2.273 185 1HB TYR 25 HB2 TYR 25 19.303 2.513 4.156 186 2HB TYR 25 HB1 TYR 25 18.898 3.365 2.670 187 HD1 TYR 25 HD1 TYR 25 18.334 2.054 0.620 188 HD2 TYR 25 HD2 TYR 25 18.835 0.199 4.416 189 HE1 TYR 25 HE1 TYR 25 17.158 0.060 -0.207 190 HE2 TYR 25 HE2 TYR 25 17.661 -1.801 3.600 191 HH TYR 25 HH TYR 25 17.312 -2.716 0.793 192 H TRP 26 HN TRP 26 21.049 5.039 3.082 193 HA TRP 26 HA TRP 26 20.650 6.004 0.465 194 1HB TRP 26 HB2 TRP 26 21.925 7.316 2.871 195 2HB TRP 26 HB1 TRP 26 21.530 8.164 1.380 196 HD1 TRP 26 HD1 TRP 26 20.192 7.853 4.657 197 HE1 TRP 26 HE1 TRP 26 17.639 8.175 4.728 198 HE3 TRP 26 HE3 TRP 26 19.158 7.261 -0.316 199 HZ2 TRP 26 HZ2 TRP 26 15.475 8.179 2.915 200 HZ3 TRP 26 HZ3 TRP 26 16.822 7.439 -1.064 201 HH2 TRP 26 HH2 TRP 26 15.019 7.888 0.520 202 H GLU 27 HN GLU 27 23.545 5.149 2.251 203 HA GLU 27 HA GLU 27 25.606 6.273 0.913 204 1HB GLU 27 HB2 GLU 27 25.215 3.787 2.384 205 2HB GLU 27 HB1 GLU 27 26.460 3.638 1.151 206 1HG GLU 27 HG2 GLU 27 27.615 4.296 3.055 207 2HG GLU 27 HG1 GLU 27 27.438 5.783 2.126 208 H SER 28 HN SER 28 24.206 3.135 -0.042 209 HA SER 28 HA SER 28 25.314 3.495 -2.729 210 1HB SER 28 HB2 SER 28 25.558 1.339 -1.268 211 2HB SER 28 HB1 SER 28 23.919 0.997 -1.822 212 HG SER 28 HG SER 28 24.627 0.793 -3.855 213 H ALA 29 HN ALA 29 22.543 4.387 -1.249 214 HA ALA 29 HA ALA 29 20.477 3.362 -2.854 215 1HB ALA 29 HB3 ALA 29 19.897 4.488 -0.842 216 2HB ALA 29 HB1 ALA 29 19.226 5.429 -2.174 217 3HB ALA 29 HB2 ALA 29 20.697 5.969 -1.367 218 H LYS 30 HN LYS 30 22.539 6.225 -3.291 219 HA LYS 30 HA LYS 30 21.271 7.372 -5.466 220 1HB LYS 30 HB2 LYS 30 23.985 7.451 -4.339 221 2HB LYS 30 HB1 LYS 30 23.903 7.840 -6.051 222 1HG LYS 30 HG2 LYS 30 22.238 9.575 -5.565 223 2HG LYS 30 HG1 LYS 30 22.371 9.202 -3.846 224 1HD LYS 30 HD2 LYS 30 24.875 9.811 -5.321 225 2HD LYS 30 HD1 LYS 30 23.775 11.150 -4.991 226 1HE LYS 30 HE2 LYS 30 24.521 9.265 -2.796 227 2HE LYS 30 HE1 LYS 30 25.648 10.532 -3.279 228 1HZ LYS 30 HZ2 LYS 30 23.903 12.169 -2.861 229 2HZ LYS 30 HZ1 LYS 30 22.852 10.943 -2.360 230 3HZ LYS 30 HZ3 LYS 30 24.251 11.274 -1.470 231 H THR 31 HN THR 31 23.887 4.960 -5.568 232 HA THR 31 HA THR 31 24.136 4.628 -8.289 233 HB THR 31 HB THR 31 24.142 2.292 -6.377 234 HG1 THR 31 HG1 THR 31 25.585 3.353 -5.299 235 1HG2 THR 31 1HG2 THR 31 25.784 2.918 -8.817 236 2HG2 THR 31 3HG2 THR 31 26.063 1.557 -7.731 237 3HG2 THR 31 2HG2 THR 31 24.562 1.658 -8.651 238 H ALA 32 HN ALA 32 21.748 3.288 -6.081 239 HA ALA 32 HA ALA 32 20.427 1.594 -7.911 240 1HB ALA 32 HB2 ALA 32 18.903 2.933 -5.727 241 2HB ALA 32 HB1 ALA 32 18.862 1.255 -6.268 242 3HB ALA 32 HB3 ALA 32 20.218 1.838 -5.302 243 H ALA 33 HN ALA 33 19.866 4.985 -6.979 244 HA ALA 33 HA ALA 33 17.550 5.518 -8.363 245 1HB ALA 33 HB1 ALA 33 18.858 7.073 -6.845 246 2HB ALA 33 HB3 ALA 33 19.826 7.475 -8.263 247 3HB ALA 33 HB2 ALA 33 18.094 7.809 -8.254 248 H GLN 34 HN GLN 34 20.845 5.954 -9.649 249 HA GLN 34 HA GLN 34 19.990 6.548 -12.275 250 1HB GLN 34 HB2 GLN 34 22.215 7.172 -11.559 251 2HB GLN 34 HB1 GLN 34 22.626 5.496 -11.232 252 1HG GLN 34 HG2 GLN 34 21.782 6.094 -13.990 253 2HG GLN 34 HG1 GLN 34 23.311 6.804 -13.476 254 1HE2 GLN 34 1HE2 GLN 34 21.843 4.090 -14.750 255 2HE2 GLN 34 2HE2 GLN 34 23.122 2.956 -14.505 256 H ASN 35 HN ASN 35 20.793 3.554 -10.612 257 HA ASN 35 HA ASN 35 20.811 1.862 -12.867 258 1HB ASN 35 HB2 ASN 35 20.639 1.500 -9.941 259 2HB ASN 35 HB1 ASN 35 19.942 0.198 -10.897 260 1HD2 ASN 35 1HD2 ASN 35 21.385 -0.538 -12.751 261 2HD2 ASN 35 2HD2 ASN 35 23.061 -0.727 -12.379 262 H LEU 36 HN LEU 36 18.218 3.236 -11.019 263 HA LEU 36 HA LEU 36 16.105 1.546 -11.718 264 1HB LEU 36 HB2 LEU 36 16.150 3.580 -10.098 265 2HB LEU 36 HB1 LEU 36 15.796 4.533 -11.527 266 HG LEU 36 HG LEU 36 14.024 2.211 -11.050 267 1HD1 LEU 36 3HD1 LEU 36 14.323 3.060 -8.778 268 2HD1 LEU 36 2HD1 LEU 36 13.889 4.680 -9.328 269 3HD1 LEU 36 1HD1 LEU 36 12.697 3.382 -9.382 270 1HD2 LEU 36 1HD2 LEU 36 13.704 3.744 -12.931 271 2HD2 LEU 36 3HD2 LEU 36 12.335 3.788 -11.819 272 3HD2 LEU 36 2HD2 LEU 36 13.525 5.089 -11.804 273 H TYR 37 HN TYR 37 17.505 4.376 -13.258 274 HA TYR 37 HA TYR 37 15.831 4.418 -15.545 275 1HB TYR 37 HB2 TYR 37 18.574 5.531 -14.966 276 2HB TYR 37 HB1 TYR 37 17.834 5.695 -16.555 277 HD1 TYR 37 HD1 TYR 37 15.862 7.107 -16.866 278 HD2 TYR 37 HD2 TYR 37 17.758 6.789 -13.071 279 HE1 TYR 37 HE1 TYR 37 14.649 9.104 -16.100 280 HE2 TYR 37 HE2 TYR 37 16.551 8.786 -12.293 281 HH TYR 37 HH TYR 37 15.323 10.971 -13.992 282 H GLU 38 HN GLU 38 18.847 2.792 -14.735 283 HA GLU 38 HA GLU 38 19.533 1.813 -17.264 284 1HB GLU 38 HB2 GLU 38 21.103 1.698 -15.431 285 2HB GLU 38 HB1 GLU 38 20.043 0.622 -14.536 286 1HG GLU 38 HG2 GLU 38 20.937 -0.261 -17.219 287 2HG GLU 38 HG1 GLU 38 22.126 -0.251 -15.919 288 H LYS 39 HN LYS 39 17.845 0.051 -14.686 289 HA LYS 39 HA LYS 39 17.206 -2.200 -16.220 290 1HB LYS 39 HB2 LYS 39 16.917 -1.440 -13.575 291 2HB LYS 39 HB1 LYS 39 15.259 -1.626 -14.129 292 1HG LYS 39 HG2 LYS 39 15.812 -3.727 -13.310 293 2HG LYS 39 HG1 LYS 39 16.026 -3.890 -15.054 294 1HD LYS 39 HD2 LYS 39 18.485 -3.251 -14.578 295 2HD LYS 39 HD1 LYS 39 18.107 -3.672 -12.908 296 1HE LYS 39 HE2 LYS 39 18.713 -5.743 -13.533 297 2HE LYS 39 HE1 LYS 39 17.093 -5.815 -14.223 298 1HZ LYS 39 HZ1 LYS 39 19.534 -4.991 -15.702 299 2HZ LYS 39 HZ3 LYS 39 18.815 -6.520 -15.792 300 3HZ LYS 39 HZ2 LYS 39 17.982 -5.159 -16.352 301 H THR 40 HN THR 40 15.915 0.925 -16.511 302 HA THR 40 HA THR 40 13.216 0.267 -17.116 303 HB THR 40 HB THR 40 14.883 2.631 -18.002 304 HG1 THR 40 HG1 THR 40 14.645 2.670 -15.806 305 1HG2 THR 40 2HG2 THR 40 11.915 2.198 -18.140 306 2HG2 THR 40 1HG2 THR 40 12.685 3.781 -18.244 307 3HG2 THR 40 3HG2 THR 40 13.021 2.556 -19.467 308 H TYR 41 HN TYR 41 16.043 0.866 -19.142 309 HA TYR 41 HA TYR 41 14.793 0.283 -21.615 310 1HB TYR 41 HB2 TYR 41 17.735 -0.134 -21.208 311 2HB TYR 41 HB1 TYR 41 16.889 0.527 -22.601 312 HD1 TYR 41 HD1 TYR 41 15.541 2.798 -21.996 313 HD2 TYR 41 HD2 TYR 41 18.982 1.340 -19.963 314 HE1 TYR 41 HE1 TYR 41 16.029 5.073 -21.202 315 HE2 TYR 41 HE2 TYR 41 19.479 3.610 -19.163 316 HH TYR 41 HH TYR 41 18.625 6.199 -20.317 317 H LEU 42 HN LEU 42 16.667 -1.717 -19.359 318 HA LEU 42 HA LEU 42 16.668 -4.025 -21.048 319 1HB LEU 42 HB2 LEU 42 17.461 -3.474 -18.218 320 2HB LEU 42 HB1 LEU 42 17.326 -5.132 -18.771 321 HG LEU 42 HG LEU 42 18.925 -4.441 -20.662 322 1HD1 LEU 42 3HD1 LEU 42 19.114 -2.078 -18.829 323 2HD1 LEU 42 2HD1 LEU 42 20.484 -2.580 -19.821 324 3HD1 LEU 42 1HD1 LEU 42 18.964 -2.115 -20.585 325 1HD2 LEU 42 2HD2 LEU 42 19.862 -4.543 -17.797 326 2HD2 LEU 42 1HD2 LEU 42 19.583 -5.919 -18.863 327 3HD2 LEU 42 3HD2 LEU 42 20.887 -4.785 -19.212 328 HA PRO 43 HA PRO 43 12.728 -5.657 -19.741 329 1HB PRO 43 HB2 PRO 43 12.684 -7.798 -21.318 330 2HB PRO 43 HB1 PRO 43 12.668 -6.170 -22.007 331 1HG PRO 43 HG2 PRO 43 14.897 -8.136 -21.846 332 2HG PRO 43 HG1 PRO 43 14.538 -6.944 -23.105 333 1HD PRO 43 HD2 PRO 43 16.400 -6.678 -20.988 334 2HD PRO 43 HD1 PRO 43 15.876 -5.411 -22.113 335 H ALA 44 HN ALA 44 15.240 -6.397 -18.149 336 HA ALA 44 HA ALA 44 15.190 -9.158 -17.561 337 1HB ALA 44 HB1 ALA 44 16.124 -6.926 -15.765 338 2HB ALA 44 HB2 ALA 44 17.081 -7.638 -17.064 339 3HB ALA 44 HB3 ALA 44 16.593 -8.625 -15.687 340 H VAL 45 HN VAL 45 13.030 -6.666 -16.677 341 HA VAL 45 HA VAL 45 12.156 -7.170 -14.159 342 HB VAL 45 HB VAL 45 10.374 -6.634 -16.543 343 1HG1 VAL 45 2HG1 VAL 45 9.895 -6.411 -13.582 344 2HG1 VAL 45 1HG1 VAL 45 8.916 -5.556 -14.774 345 3HG1 VAL 45 3HG1 VAL 45 8.967 -7.319 -14.775 346 1HG2 VAL 45 1HG2 VAL 45 11.992 -4.852 -14.754 347 2HG2 VAL 45 3HG2 VAL 45 11.901 -4.874 -16.516 348 3HG2 VAL 45 2HG2 VAL 45 10.549 -4.252 -15.571 349 H ASP 46 HN ASP 46 10.941 -8.867 -17.063 350 HA ASP 46 HA ASP 46 9.324 -10.675 -15.579 351 1HB ASP 46 HB2 ASP 46 10.345 -10.841 -18.421 352 2HB ASP 46 HB1 ASP 46 9.126 -11.906 -17.728 353 H GLU 47 HN GLU 47 12.649 -10.793 -16.742 354 HA GLU 47 HA GLU 47 13.032 -13.586 -16.348 355 1HB GLU 47 HB2 GLU 47 14.563 -12.422 -17.770 356 2HB GLU 47 HB1 GLU 47 14.962 -11.268 -16.507 357 1HG GLU 47 HG2 GLU 47 15.519 -14.125 -15.960 358 2HG GLU 47 HG1 GLU 47 16.537 -13.309 -17.145 359 H LYS 48 HN LYS 48 14.075 -10.800 -14.369 360 HA LYS 48 HA LYS 48 15.023 -12.297 -12.194 361 1HB LYS 48 HB2 LYS 48 13.992 -9.467 -12.371 362 2HB LYS 48 HB1 LYS 48 14.688 -10.141 -10.904 363 1HG LYS 48 HG2 LYS 48 16.796 -10.035 -11.690 364 2HG LYS 48 HG1 LYS 48 16.316 -10.429 -13.342 365 1HD LYS 48 HD2 LYS 48 16.939 -8.239 -13.608 366 2HD LYS 48 HD1 LYS 48 15.224 -8.035 -13.246 367 1HE LYS 48 HE2 LYS 48 17.082 -8.094 -10.941 368 2HE LYS 48 HE1 LYS 48 17.162 -6.679 -11.988 369 1HZ LYS 48 HZ1 LYS 48 14.765 -6.383 -11.667 370 2HZ LYS 48 HZ3 LYS 48 14.740 -7.700 -10.606 371 3HZ LYS 48 HZ2 LYS 48 15.609 -6.307 -10.204 372 H LEU 49 HN LEU 49 11.794 -11.475 -13.153 373 HA LEU 49 HA LEU 49 10.494 -11.681 -10.657 374 1HB LEU 49 HB2 LEU 49 9.716 -11.617 -13.480 375 2HB LEU 49 HB1 LEU 49 8.659 -12.614 -12.501 376 HG LEU 49 HG LEU 49 9.326 -9.800 -11.687 377 1HD1 LEU 49 1HD1 LEU 49 7.089 -10.672 -13.509 378 2HD1 LEU 49 3HD1 LEU 49 7.277 -9.067 -12.803 379 3HD1 LEU 49 2HD1 LEU 49 8.467 -9.668 -13.957 380 1HD2 LEU 49 3HD2 LEU 49 8.302 -11.249 -10.013 381 2HD2 LEU 49 2HD2 LEU 49 7.187 -9.977 -10.512 382 3HD2 LEU 49 1HD2 LEU 49 6.984 -11.619 -11.126 383 H ARG 50 HN ARG 50 10.625 -14.061 -13.321 384 HA ARG 50 HA ARG 50 9.759 -16.242 -11.746 385 1HB ARG 50 HB2 ARG 50 9.982 -15.925 -14.372 386 2HB ARG 50 HB1 ARG 50 11.546 -16.682 -14.102 387 1HG ARG 50 HG2 ARG 50 9.965 -18.368 -14.711 388 2HG ARG 50 HG1 ARG 50 10.388 -18.580 -13.011 389 1HD ARG 50 HD2 ARG 50 8.141 -16.816 -13.238 390 2HD ARG 50 HD1 ARG 50 7.822 -18.297 -14.138 391 HE ARG 50 HE ARG 50 8.716 -19.287 -11.834 392 1HH1 ARG 50 1HH1 ARG 50 6.390 -16.735 -12.431 393 2HH1 ARG 50 2HH1 ARG 50 5.494 -17.049 -10.985 394 1HH2 ARG 50 1HH2 ARG 50 7.526 -19.695 -9.933 395 2HH2 ARG 50 2HH2 ARG 50 6.136 -18.727 -9.567 396 H ASP 51 HN ASP 51 12.896 -14.818 -12.394 397 HA ASP 51 HA ASP 51 14.593 -16.856 -11.538 398 1HB ASP 51 HB2 ASP 51 15.455 -14.874 -12.638 399 2HB ASP 51 HB1 ASP 51 14.915 -13.857 -11.308 400 H LEU 52 HN LEU 52 13.369 -14.107 -9.615 401 HA LEU 52 HA LEU 52 14.359 -15.080 -7.145 402 1HB LEU 52 HB2 LEU 52 12.528 -12.914 -8.015 403 2HB LEU 52 HB1 LEU 52 12.388 -13.441 -6.349 404 HG LEU 52 HG LEU 52 14.938 -13.066 -6.221 405 1HD1 LEU 52 3HD1 LEU 52 15.225 -12.842 -8.677 406 2HD1 LEU 52 2HD1 LEU 52 14.327 -11.326 -8.605 407 3HD1 LEU 52 1HD1 LEU 52 15.868 -11.480 -7.761 408 1HD2 LEU 52 1HD2 LEU 52 13.286 -11.685 -5.073 409 2HD2 LEU 52 3HD2 LEU 52 14.613 -10.704 -5.694 410 3HD2 LEU 52 2HD2 LEU 52 13.063 -10.723 -6.535 411 H TYR 53 HN TYR 53 11.494 -15.788 -8.975 412 HA TYR 53 HA TYR 53 9.858 -16.727 -6.858 413 1HB TYR 53 HB2 TYR 53 9.815 -16.812 -9.807 414 2HB TYR 53 HB1 TYR 53 9.002 -18.160 -9.020 415 HD1 TYR 53 HD1 TYR 53 7.556 -17.222 -6.847 416 HD2 TYR 53 HD2 TYR 53 8.395 -15.126 -10.453 417 HE1 TYR 53 HE1 TYR 53 5.570 -15.818 -6.488 418 HE2 TYR 53 HE2 TYR 53 6.413 -13.715 -10.102 419 HH TYR 53 HH TYR 53 5.007 -13.109 -7.580 420 H SER 54 HN SER 54 12.130 -18.337 -9.061 421 HA SER 54 HA SER 54 11.692 -20.973 -8.196 422 1HB SER 54 HB2 SER 54 14.246 -19.761 -9.287 423 2HB SER 54 HB1 SER 54 13.868 -21.482 -9.215 424 HG SER 54 HG SER 54 12.928 -19.522 -10.941 425 H LYS 55 HN LYS 55 14.058 -18.540 -7.134 426 HA LYS 55 HA LYS 55 15.373 -20.124 -5.220 427 1HB LYS 55 HB2 LYS 55 15.017 -17.137 -5.456 428 2HB LYS 55 HB1 LYS 55 16.003 -17.879 -4.205 429 1HG LYS 55 HG2 LYS 55 17.503 -18.789 -5.820 430 2HG LYS 55 HG1 LYS 55 16.444 -18.312 -7.149 431 1HD LYS 55 HD2 LYS 55 17.028 -16.010 -5.565 432 2HD LYS 55 HD1 LYS 55 18.541 -16.832 -5.951 433 1HE LYS 55 HE2 LYS 55 16.776 -16.708 -8.243 434 2HE LYS 55 HE1 LYS 55 17.106 -15.104 -7.593 435 1HZ LYS 55 HZ1 LYS 55 19.486 -15.609 -7.721 436 2HZ LYS 55 HZ3 LYS 55 19.135 -17.112 -8.415 437 3HZ LYS 55 HZ2 LYS 55 18.744 -15.688 -9.240 438 H SER 56 HN SER 56 12.659 -17.842 -4.875 439 HA SER 56 HA SER 56 12.346 -18.111 -2.098 440 1HB SER 56 HB2 SER 56 10.162 -17.075 -2.403 441 2HB SER 56 HB1 SER 56 11.362 -16.274 -3.415 442 HG SER 56 HG SER 56 9.645 -16.619 -4.726 443 H THR 57 HN THR 57 11.529 -20.373 -4.580 444 HA THR 57 HA THR 57 9.279 -21.608 -3.486 445 HB THR 57 HB THR 57 11.526 -22.988 -4.968 446 HG1 THR 57 HG1 THR 57 9.290 -21.552 -5.958 447 1HG2 THR 57 1HG2 THR 57 8.603 -23.649 -4.727 448 2HG2 THR 57 3HG2 THR 57 9.721 -24.416 -5.855 449 3HG2 THR 57 2HG2 THR 57 9.963 -24.592 -4.117 450 H ALA 58 HN ALA 58 12.722 -22.455 -3.041 451 HA ALA 58 HA ALA 58 12.042 -24.262 -0.868 452 1HB ALA 58 HB2 ALA 58 13.743 -24.936 -2.484 453 2HB ALA 58 HB1 ALA 58 14.732 -23.548 -2.032 454 3HB ALA 58 HB3 ALA 58 14.416 -24.827 -0.858 455 H ALA 59 HN ALA 59 13.794 -21.203 -1.326 456 HA ALA 59 HA ALA 59 14.708 -20.901 1.315 457 1HB ALA 59 HB1 ALA 59 15.008 -18.528 0.742 458 2HB ALA 59 HB2 ALA 59 14.089 -18.784 -0.742 459 3HB ALA 59 HB3 ALA 59 15.634 -19.604 -0.509 460 H MET 60 HN MET 60 11.959 -19.210 -0.236 461 HA MET 60 HA MET 60 10.956 -18.104 2.140 462 1HB MET 60 HB2 MET 60 10.402 -17.719 -0.459 463 2HB MET 60 HB1 MET 60 9.019 -18.712 -0.022 464 1HG MET 60 HG2 MET 60 8.076 -17.093 1.219 465 2HG MET 60 HG1 MET 60 9.623 -16.499 1.818 466 1HE MET 60 HE3 MET 60 11.074 -14.751 0.723 467 2HE MET 60 HE2 MET 60 11.315 -15.738 -0.719 468 3HE MET 60 HE1 MET 60 10.821 -14.052 -0.876 469 H SER 61 HN SER 61 10.757 -21.342 0.995 470 HA SER 61 HA SER 61 8.277 -22.087 2.141 471 1HB SER 61 HB2 SER 61 10.456 -23.397 0.780 472 2HB SER 61 HB1 SER 61 9.958 -24.349 2.178 473 HG SER 61 HG SER 61 8.600 -23.788 -0.161 474 H THR 62 HN THR 62 11.302 -21.358 3.579 475 HA THR 62 HA THR 62 10.653 -22.833 6.025 476 HB THR 62 HB THR 62 12.932 -22.214 6.765 477 HG1 THR 62 HG1 THR 62 13.640 -20.472 5.811 478 1HG2 THR 62 3HG2 THR 62 12.618 -24.290 5.465 479 2HG2 THR 62 2HG2 THR 62 13.013 -23.391 4.000 480 3HG2 THR 62 1HG2 THR 62 14.218 -23.572 5.274 481 H TYR 63 HN TYR 63 11.525 -19.551 4.955 482 HA TYR 63 HA TYR 63 11.050 -18.282 7.416 483 1HB TYR 63 HB2 TYR 63 10.897 -17.046 4.659 484 2HB TYR 63 HB1 TYR 63 11.170 -16.203 6.179 485 HD1 TYR 63 HD1 TYR 63 12.727 -17.563 3.344 486 HD2 TYR 63 HD2 TYR 63 13.291 -17.041 7.529 487 HE1 TYR 63 HE1 TYR 63 15.151 -17.833 3.045 488 HE2 TYR 63 HE2 TYR 63 15.718 -17.308 7.241 489 HH TYR 63 HH TYR 63 17.177 -18.661 5.078 490 H THR 64 HN THR 64 8.917 -19.419 4.931 491 HA THR 64 HA THR 64 6.756 -17.664 5.521 492 HB THR 64 HB THR 64 6.986 -20.261 4.038 493 HG1 THR 64 HG1 THR 64 7.303 -18.752 2.606 494 1HG2 THR 64 3HG2 THR 64 4.417 -18.922 4.815 495 2HG2 THR 64 2HG2 THR 64 4.566 -19.947 3.387 496 3HG2 THR 64 1HG2 THR 64 4.869 -20.618 4.989 497 H GLY 65 HN GLY 65 7.320 -21.075 6.357 498 1HA GLY 65 HA1 GLY 65 6.576 -22.322 8.142 499 2HA GLY 65 HA2 GLY 65 5.182 -21.247 8.200 500 H ILE 66 HN ILE 66 8.587 -20.375 8.527 501 HA ILE 66 HA ILE 66 8.667 -20.220 11.351 502 HB ILE 66 HB ILE 66 10.365 -18.907 9.229 503 1HG1 ILE 66 2HG1 ILE 66 11.198 -20.989 11.238 504 2HG1 ILE 66 1HG1 ILE 66 10.400 -21.445 9.737 505 1HG2 ILE 66 1HG2 ILE 66 10.523 -18.666 12.217 506 2HG2 ILE 66 3HG2 ILE 66 11.949 -18.478 11.197 507 3HG2 ILE 66 2HG2 ILE 66 10.575 -17.392 10.999 508 1HD1 ILE 66 3HD1 ILE 66 12.287 -19.959 8.671 509 2HD1 ILE 66 2HD1 ILE 66 13.114 -20.330 10.184 510 3HD1 ILE 66 1HD1 ILE 66 12.585 -21.637 9.125 511 H PHE 67 HN PHE 67 8.498 -17.596 8.936 512 HA PHE 67 HA PHE 67 8.078 -15.463 10.646 513 1HB PHE 67 HB2 PHE 67 8.473 -15.174 8.245 514 2HB PHE 67 HB1 PHE 67 6.889 -15.854 7.889 515 HD1 PHE 67 HD1 PHE 67 8.653 -12.970 9.354 516 HD2 PHE 67 HD2 PHE 67 4.923 -14.535 8.032 517 HE1 PHE 67 HE1 PHE 67 7.665 -10.721 9.491 518 HE2 PHE 67 HE2 PHE 67 3.929 -12.289 8.166 519 HZ PHE 67 HZ PHE 67 5.300 -10.379 8.896 520 H THR 68 HN THR 68 5.557 -17.380 9.012 521 HA THR 68 HA THR 68 3.388 -16.152 10.318 522 HB THR 68 HB THR 68 3.480 -18.922 9.117 523 HG1 THR 68 HG1 THR 68 3.884 -17.812 7.375 524 1HG2 THR 68 2HG2 THR 68 1.206 -17.063 9.721 525 2HG2 THR 68 1HG2 THR 68 1.083 -18.373 8.547 526 3HG2 THR 68 3HG2 THR 68 1.427 -18.734 10.239 527 H ASP 69 HN ASP 69 5.591 -18.587 11.349 528 HA ASP 69 HA ASP 69 4.038 -19.982 13.214 529 1HB ASP 69 HB2 ASP 69 6.728 -19.962 12.490 530 2HB ASP 69 HB1 ASP 69 6.740 -19.506 14.190 531 H GLN 70 HN GLN 70 6.059 -17.092 13.710 532 HA GLN 70 HA GLN 70 5.258 -16.710 16.414 533 1HB GLN 70 HB2 GLN 70 6.581 -14.865 14.424 534 2HB GLN 70 HB1 GLN 70 6.281 -14.422 16.098 535 1HG GLN 70 HG2 GLN 70 8.460 -15.129 16.184 536 2HG GLN 70 HG1 GLN 70 7.593 -16.596 16.638 537 1HE2 GLN 70 1HE2 GLN 70 8.776 -14.935 13.722 538 2HE2 GLN 70 2HE2 GLN 70 9.332 -16.366 12.929 539 H VAL 71 HN VAL 71 3.950 -15.724 13.347 540 HA VAL 71 HA VAL 71 2.290 -13.609 14.276 541 HB VAL 71 HB VAL 71 1.963 -15.372 11.831 542 1HG1 VAL 71 2HG1 VAL 71 0.585 -12.832 12.665 543 2HG1 VAL 71 1HG1 VAL 71 0.612 -13.404 10.998 544 3HG1 VAL 71 3HG1 VAL 71 -0.143 -14.385 12.254 545 1HG2 VAL 71 1HG2 VAL 71 4.064 -13.850 12.172 546 2HG2 VAL 71 3HG2 VAL 71 3.227 -13.875 10.619 547 3HG2 VAL 71 2HG2 VAL 71 2.945 -12.553 11.753 548 H LEU 72 HN LEU 72 1.661 -16.999 13.454 549 HA LEU 72 HA LEU 72 -1.002 -17.127 14.301 550 1HB LEU 72 HB2 LEU 72 0.838 -18.904 13.223 551 2HB LEU 72 HB1 LEU 72 0.521 -19.567 14.814 552 HG LEU 72 HG LEU 72 -1.726 -18.841 12.957 553 1HD1 LEU 72 1HD1 LEU 72 -0.256 -20.363 11.740 554 2HD1 LEU 72 3HD1 LEU 72 -0.286 -21.485 13.100 555 3HD1 LEU 72 2HD1 LEU 72 -1.764 -21.155 12.196 556 1HD2 LEU 72 3HD2 LEU 72 -1.470 -20.762 15.268 557 2HD2 LEU 72 2HD2 LEU 72 -2.316 -19.215 15.278 558 3HD2 LEU 72 1HD2 LEU 72 -2.914 -20.541 14.280 559 H SER 73 HN SER 73 2.055 -17.345 16.001 560 HA SER 73 HA SER 73 1.153 -18.343 18.450 561 1HB SER 73 HB2 SER 73 3.582 -17.833 17.592 562 2HB SER 73 HB1 SER 73 3.317 -16.271 18.365 563 HG SER 73 HG SER 73 4.279 -17.803 19.779 564 H VAL 74 HN VAL 74 1.220 -15.030 17.219 565 HA VAL 74 HA VAL 74 0.309 -13.884 19.679 566 HB VAL 74 HB VAL 74 0.098 -11.814 18.567 567 1HG1 VAL 74 1HG1 VAL 74 2.425 -13.082 18.628 568 2HG1 VAL 74 3HG1 VAL 74 2.286 -12.889 16.880 569 3HG1 VAL 74 2HG1 VAL 74 2.250 -11.472 17.931 570 1HG2 VAL 74 1HG2 VAL 74 -0.910 -13.282 16.421 571 2HG2 VAL 74 3HG2 VAL 74 -0.716 -11.533 16.518 572 3HG2 VAL 74 2HG2 VAL 74 0.558 -12.523 15.808 573 H LEU 75 HN LEU 75 -1.242 -15.638 17.197 574 HA LEU 75 HA LEU 75 -3.822 -14.484 17.281 575 1HB LEU 75 HB2 LEU 75 -2.733 -16.293 15.682 576 2HB LEU 75 HB1 LEU 75 -3.479 -17.407 16.811 577 HG LEU 75 HG LEU 75 -5.179 -15.246 15.666 578 1HD1 LEU 75 1HD1 LEU 75 -3.966 -16.064 13.719 579 2HD1 LEU 75 3HD1 LEU 75 -4.383 -17.723 14.144 580 3HD1 LEU 75 2HD1 LEU 75 -5.650 -16.588 13.681 581 1HD2 LEU 75 3HD2 LEU 75 -5.569 -18.110 16.505 582 2HD2 LEU 75 2HD2 LEU 75 -6.216 -16.656 17.264 583 3HD2 LEU 75 1HD2 LEU 75 -6.813 -17.167 15.686 584 H LYS 76 HN LYS 76 -2.205 -16.924 19.170 585 HA LYS 76 HA LYS 76 -4.488 -17.759 20.666 586 1HB LYS 76 HB2 LYS 76 -1.531 -18.026 21.244 587 2HB LYS 76 HB1 LYS 76 -2.799 -18.799 22.184 588 1HG LYS 76 HG2 LYS 76 -2.576 -20.536 20.822 589 2HG LYS 76 HG1 LYS 76 -3.368 -19.553 19.589 590 1HD LYS 76 HD2 LYS 76 -1.077 -18.673 18.995 591 2HD LYS 76 HD1 LYS 76 -0.413 -19.924 20.046 592 1HE LYS 76 HE2 LYS 76 -1.696 -21.601 18.677 593 2HE LYS 76 HE1 LYS 76 -2.057 -20.293 17.550 594 1HZ LYS 76 HZ2 LYS 76 0.674 -21.193 18.295 595 2HZ LYS 76 HZ1 LYS 76 -0.130 -21.607 16.866 596 3HZ LYS 76 HZ3 LYS 76 0.293 -19.996 17.164 597 H GLY 77 HN GLY 77 -1.858 -15.443 21.248 598 1HA GLY 77 HA1 GLY 77 -1.604 -13.784 22.814 599 2HA GLY 77 HA2 GLY 77 -2.588 -14.761 23.893 600 H GLU 78 HN GLU 78 -3.396 -13.237 20.776 601 HA GLU 78 HA GLU 78 -4.956 -11.159 21.960 602 1HB GLU 78 HB2 GLU 78 -4.981 -12.166 19.108 603 2HB GLU 78 HB1 GLU 78 -5.652 -10.643 19.671 604 1HG GLU 78 HG2 GLU 78 -3.548 -9.713 20.039 605 2HG GLU 78 HG1 GLU 78 -2.750 -11.285 20.036 606 H GLU 79 HN GLU 79 -5.880 -13.997 19.991 607 HA GLU 79 HA GLU 79 -8.612 -13.782 21.021 608 1HB GLU 79 HB2 GLU 79 -7.555 -15.586 18.837 609 2HB GLU 79 HB1 GLU 79 -9.242 -15.298 19.236 610 1HG GLU 79 HG2 GLU 79 -9.259 -13.688 17.722 611 2HG GLU 79 HG1 GLU 79 -8.158 -12.771 18.750 No H/Q in entry = 611 Start of MODEL 4 1 H1 THR 1 HT3 THR 1 7.952 0.588 25.047 2 H2 THR 1 HT2 THR 1 8.230 0.934 26.705 3 H3 THR 1 HT1 THR 1 6.625 0.804 26.110 4 HA THR 1 HA THR 1 6.920 2.717 24.760 5 HB THR 1 HB THR 1 7.801 3.181 27.621 6 HG1 THR 1 HG1 THR 1 5.969 2.251 28.032 7 1HG2 THR 1 2HG2 THR 1 6.317 4.943 25.689 8 2HG2 THR 1 1HG2 THR 1 6.414 5.235 27.427 9 3HG2 THR 1 3HG2 THR 1 7.880 5.250 26.446 10 H GLN 2 HN GLN 2 8.267 3.875 23.530 11 HA GLN 2 HA GLN 2 11.139 3.641 23.996 12 1HB GLN 2 HB2 GLN 2 9.562 4.654 21.627 13 2HB GLN 2 HB1 GLN 2 11.318 4.658 21.708 14 1HG GLN 2 HG2 GLN 2 10.844 2.080 22.287 15 2HG GLN 2 HG1 GLN 2 9.440 2.427 21.279 16 1HE2 GLN 2 1HE2 GLN 2 9.689 2.616 19.117 17 2HE2 GLN 2 2HE2 GLN 2 11.198 2.447 18.294 18 H GLN 3 HN GLN 3 11.726 5.085 25.530 19 HA GLN 3 HA GLN 3 11.518 7.905 24.826 20 1HB GLN 3 HB2 GLN 3 10.891 8.457 27.219 21 2HB GLN 3 HB1 GLN 3 9.619 7.756 26.231 22 1HG GLN 3 HG2 GLN 3 9.336 6.112 27.680 23 2HG GLN 3 HG1 GLN 3 11.036 5.663 27.566 24 1HE2 GLN 3 1HE2 GLN 3 8.835 7.939 29.148 25 2HE2 GLN 3 2HE2 GLN 3 9.744 8.071 30.611 26 HA PRO 4 HA PRO 4 15.731 7.237 26.306 27 1HB PRO 4 HB2 PRO 4 16.847 9.318 25.031 28 2HB PRO 4 HB1 PRO 4 16.365 7.853 24.167 29 1HG PRO 4 HG2 PRO 4 14.946 10.480 24.378 30 2HG PRO 4 HG1 PRO 4 15.173 9.441 22.959 31 1HD PRO 4 HD2 PRO 4 12.876 9.508 24.459 32 2HD PRO 4 HD1 PRO 4 13.396 8.107 23.504 33 H GLN 5 HN GLN 5 14.387 7.972 28.360 34 HA GLN 5 HA GLN 5 14.641 10.695 29.175 35 1HB GLN 5 HB2 GLN 5 13.131 8.607 30.024 36 2HB GLN 5 HB1 GLN 5 14.370 8.633 31.270 37 1HG GLN 5 HG2 GLN 5 13.467 10.404 32.247 38 2HG GLN 5 HG1 GLN 5 13.385 11.289 30.724 39 1HE2 GLN 5 1HE2 GLN 5 11.529 10.986 29.379 40 2HE2 GLN 5 2HE2 GLN 5 10.024 10.497 30.070 41 H GLN 6 HN GLN 6 16.066 11.640 30.612 42 HA GLN 6 HA GLN 6 18.730 10.657 30.609 43 1HB GLN 6 HB2 GLN 6 18.195 13.063 30.657 44 2HB GLN 6 HB1 GLN 6 17.504 12.878 32.263 45 1HG GLN 6 HG2 GLN 6 20.265 11.921 31.992 46 2HG GLN 6 HG1 GLN 6 20.047 13.653 31.748 47 1HE2 GLN 6 1HE2 GLN 6 20.332 11.160 34.013 48 2HE2 GLN 6 2HE2 GLN 6 19.969 12.075 35.432 49 H ASP 7 HN ASP 7 16.622 11.360 33.413 50 HA ASP 7 HA ASP 7 18.182 9.759 35.183 51 1HB ASP 7 HB2 ASP 7 15.382 10.853 35.544 52 2HB ASP 7 HB1 ASP 7 16.399 10.195 36.822 53 H GLU 8 HN GLU 8 14.975 9.347 33.714 54 HA GLU 8 HA GLU 8 14.567 6.721 34.738 55 1HB GLU 8 HB2 GLU 8 12.986 8.619 33.504 56 2HB GLU 8 HB1 GLU 8 13.118 7.369 32.276 57 1HG GLU 8 HG2 GLU 8 12.595 5.987 34.629 58 2HG GLU 8 HG1 GLU 8 11.567 7.417 34.707 59 H MET 9 HN MET 9 13.912 4.983 32.907 60 HA MET 9 HA MET 9 16.377 4.177 31.749 61 1HB MET 9 HB2 MET 9 15.146 2.267 30.875 62 2HB MET 9 HB1 MET 9 14.700 2.562 32.549 63 1HG MET 9 HG2 MET 9 12.583 2.526 31.921 64 2HG MET 9 HG1 MET 9 12.868 4.024 31.038 65 1HE MET 9 HE1 MET 9 11.147 3.794 29.391 66 2HE MET 9 HE3 MET 9 12.532 4.149 28.359 67 3HE MET 9 HE2 MET 9 11.373 2.908 27.883 68 HA PRO 10 HA PRO 10 16.083 6.161 27.801 69 1HB PRO 10 HB2 PRO 10 17.832 4.674 26.390 70 2HB PRO 10 HB1 PRO 10 18.353 5.768 27.675 71 1HG PRO 10 HG2 PRO 10 17.977 2.801 27.752 72 2HG PRO 10 HG1 PRO 10 19.282 3.782 28.440 73 1HD PRO 10 HD2 PRO 10 17.184 2.821 29.902 74 2HD PRO 10 HD1 PRO 10 18.070 4.302 30.314 75 H SER 11 HN SER 11 15.817 5.557 25.401 76 HA SER 11 HA SER 11 13.472 3.948 25.149 77 1HB SER 11 HB2 SER 11 13.694 4.493 22.700 78 2HB SER 11 HB1 SER 11 13.648 5.900 23.760 79 HG SER 11 HG SER 11 15.436 6.423 22.794 80 HA PRO 12 HA PRO 12 15.245 -0.049 24.432 81 1HB PRO 12 HB2 PRO 12 12.969 -0.408 22.556 82 2HB PRO 12 HB1 PRO 12 13.456 -1.395 23.939 83 1HG PRO 12 HG2 PRO 12 11.328 0.201 24.087 84 2HG PRO 12 HG1 PRO 12 12.422 0.006 25.470 85 1HD PRO 12 HD2 PRO 12 12.204 2.269 23.530 86 2HD PRO 12 HD1 PRO 12 12.501 2.307 25.280 87 H THR 13 HN THR 13 16.224 -1.321 22.780 88 HA THR 13 HA THR 13 17.348 0.218 20.657 89 HB THR 13 HB THR 13 18.344 -2.056 19.998 90 HG1 THR 13 HG1 THR 13 17.228 -3.608 20.913 91 1HG2 THR 13 1HG2 THR 13 19.597 -0.453 21.347 92 2HG2 THR 13 3HG2 THR 13 18.849 -1.102 22.806 93 3HG2 THR 13 2HG2 THR 13 19.914 -2.118 21.835 94 H PHE 14 HN PHE 14 15.518 0.861 19.439 95 HA PHE 14 HA PHE 14 14.746 -1.115 17.445 96 1HB PHE 14 HB2 PHE 14 12.984 -1.138 19.245 97 2HB PHE 14 HB1 PHE 14 12.642 0.542 18.856 98 HD1 PHE 14 HD1 PHE 14 12.308 -2.923 17.789 99 HD2 PHE 14 HD2 PHE 14 11.576 1.139 16.747 100 HE1 PHE 14 HE1 PHE 14 10.750 -3.657 16.033 101 HE2 PHE 14 HE2 PHE 14 10.016 0.411 14.990 102 HZ PHE 14 HZ PHE 14 9.601 -1.990 14.631 103 H LEU 15 HN LEU 15 13.374 2.094 18.178 104 HA LEU 15 HA LEU 15 13.598 3.010 15.523 105 1HB LEU 15 HB2 LEU 15 12.765 4.104 18.101 106 2HB LEU 15 HB1 LEU 15 13.522 5.302 17.070 107 HG LEU 15 HG LEU 15 11.245 3.570 16.130 108 1HD1 LEU 15 1HD1 LEU 15 10.544 4.864 18.101 109 2HD1 LEU 15 3HD1 LEU 15 11.082 6.342 17.304 110 3HD1 LEU 15 2HD1 LEU 15 9.749 5.408 16.623 111 1HD2 LEU 15 3HD2 LEU 15 12.409 6.168 15.132 112 2HD2 LEU 15 2HD2 LEU 15 12.563 4.586 14.368 113 3HD2 LEU 15 1HD2 LEU 15 10.985 5.366 14.469 114 H THR 16 HN THR 16 15.667 3.379 18.346 115 HA THR 16 HA THR 16 17.456 5.291 17.381 116 HB THR 16 HB THR 16 19.103 4.145 18.982 117 HG1 THR 16 HG1 THR 16 18.526 2.200 19.495 118 1HG2 THR 16 3HG2 THR 16 17.716 6.038 19.687 119 2HG2 THR 16 2HG2 THR 16 16.430 4.913 20.127 120 3HG2 THR 16 1HG2 THR 16 17.973 4.869 20.982 121 H GLN 17 HN GLN 17 17.761 1.729 17.287 122 HA GLN 17 HA GLN 17 20.154 1.667 15.819 123 1HB GLN 17 HB2 GLN 17 18.986 -0.219 17.133 124 2HB GLN 17 HB1 GLN 17 18.074 -0.500 15.658 125 1HG GLN 17 HG2 GLN 17 21.075 -0.474 15.725 126 2HG GLN 17 HG1 GLN 17 20.125 -1.928 16.019 127 1HE2 GLN 17 1HE2 GLN 17 21.507 0.094 13.682 128 2HE2 GLN 17 2HE2 GLN 17 20.828 -0.655 12.280 129 H VAL 18 HN VAL 18 16.964 0.669 14.556 130 HA VAL 18 HA VAL 18 17.299 0.396 11.958 131 HB VAL 18 HB VAL 18 15.081 1.427 11.498 132 1HG1 VAL 18 3HG1 VAL 18 15.367 -0.895 12.320 133 2HG1 VAL 18 2HG1 VAL 18 15.126 -0.305 13.964 134 3HG1 VAL 18 1HG1 VAL 18 13.826 -0.171 12.780 135 1HG2 VAL 18 1HG2 VAL 18 15.339 2.287 14.368 136 2HG2 VAL 18 3HG2 VAL 18 15.015 3.290 12.955 137 3HG2 VAL 18 2HG2 VAL 18 13.788 2.165 13.539 138 H LYS 19 HN LYS 19 17.245 3.640 13.423 139 HA LYS 19 HA LYS 19 17.196 5.206 11.160 140 1HB LYS 19 HB2 LYS 19 17.130 6.015 13.527 141 2HB LYS 19 HB1 LYS 19 18.868 5.768 13.612 142 1HG LYS 19 HG2 LYS 19 17.985 7.410 11.350 143 2HG LYS 19 HG1 LYS 19 17.654 8.101 12.940 144 1HD LYS 19 HD2 LYS 19 20.356 6.973 12.312 145 2HD LYS 19 HD1 LYS 19 19.924 8.598 11.778 146 1HE LYS 19 HE2 LYS 19 19.504 7.783 14.627 147 2HE LYS 19 HE1 LYS 19 21.105 8.266 14.070 148 1HZ LYS 19 HZ2 LYS 19 20.162 10.376 13.335 149 2HZ LYS 19 HZ1 LYS 19 18.637 9.911 13.899 150 3HZ LYS 19 HZ3 LYS 19 19.910 10.140 14.990 151 H GLU 20 HN GLU 20 20.062 3.767 12.701 152 HA GLU 20 HA GLU 20 21.952 4.863 10.917 153 1HB GLU 20 HB2 GLU 20 22.016 2.443 12.709 154 2HB GLU 20 HB1 GLU 20 23.388 2.901 11.712 155 1HG GLU 20 HG2 GLU 20 23.905 3.862 13.736 156 2HG GLU 20 HG1 GLU 20 23.158 5.201 12.866 157 H SER 21 HN SER 21 19.910 2.047 10.763 158 HA SER 21 HA SER 21 21.204 0.665 8.674 159 1HB SER 21 HB2 SER 21 19.263 -0.099 10.242 160 2HB SER 21 HB1 SER 21 18.217 0.612 9.012 161 HG SER 21 HG SER 21 18.746 -0.933 7.643 162 H LEU 22 HN LEU 22 18.765 3.223 8.678 163 HA LEU 22 HA LEU 22 18.301 3.187 5.867 164 1HB LEU 22 HB2 LEU 22 17.791 5.324 7.937 165 2HB LEU 22 HB1 LEU 22 17.242 5.412 6.275 166 HG LEU 22 HG LEU 22 16.418 2.954 7.636 167 1HD1 LEU 22 1HD1 LEU 22 15.394 5.610 8.631 168 2HD1 LEU 22 3HD1 LEU 22 14.695 4.033 9.003 169 3HD1 LEU 22 2HD1 LEU 22 16.321 4.431 9.560 170 1HD2 LEU 22 1HD2 LEU 22 15.585 3.647 5.446 171 2HD2 LEU 22 3HD2 LEU 22 14.276 3.538 6.622 172 3HD2 LEU 22 2HD2 LEU 22 14.917 5.115 6.159 173 H SER 23 HN SER 23 20.467 5.008 7.992 174 HA SER 23 HA SER 23 21.389 6.887 6.135 175 1HB SER 23 HB2 SER 23 22.968 5.650 8.404 176 2HB SER 23 HB1 SER 23 23.307 7.188 7.611 177 HG SER 23 HG SER 23 21.413 6.555 9.520 178 H SER 24 HN SER 24 22.853 3.775 7.072 179 HA SER 24 HA SER 24 24.887 3.823 5.112 180 1HB SER 24 HB2 SER 24 25.030 1.345 5.578 181 2HB SER 24 HB1 SER 24 25.149 2.373 7.006 182 HG SER 24 HG SER 24 23.041 0.716 6.169 183 H TYR 25 HN TYR 25 21.523 3.190 4.874 184 HA TYR 25 HA TYR 25 21.655 1.496 2.555 185 1HB TYR 25 HB2 TYR 25 19.731 1.321 4.019 186 2HB TYR 25 HB1 TYR 25 19.360 3.027 3.800 187 HD1 TYR 25 HD1 TYR 25 18.104 3.780 1.927 188 HD2 TYR 25 HD2 TYR 25 19.422 -0.262 2.112 189 HE1 TYR 25 HE1 TYR 25 16.650 3.224 0.025 190 HE2 TYR 25 HE2 TYR 25 17.972 -0.829 0.210 191 HH TYR 25 HH TYR 25 16.898 0.957 -1.883 192 H TRP 26 HN TRP 26 21.147 4.943 3.178 193 HA TRP 26 HA TRP 26 20.492 5.706 0.547 194 1HB TRP 26 HB2 TRP 26 20.956 7.006 3.049 195 2HB TRP 26 HB1 TRP 26 21.888 7.839 1.809 196 HD1 TRP 26 HD1 TRP 26 20.590 9.401 0.189 197 HE1 TRP 26 HE1 TRP 26 18.117 10.059 -0.081 198 HE3 TRP 26 HE3 TRP 26 18.485 5.947 3.317 199 HZ2 TRP 26 HZ2 TRP 26 15.606 9.225 0.903 200 HZ3 TRP 26 HZ3 TRP 26 16.041 5.945 3.597 201 HH2 TRP 26 HH2 TRP 26 14.632 7.551 2.414 202 H GLU 27 HN GLU 27 23.579 5.392 2.213 203 HA GLU 27 HA GLU 27 25.387 6.602 0.608 204 1HB GLU 27 HB2 GLU 27 25.437 4.154 2.261 205 2HB GLU 27 HB1 GLU 27 26.716 4.276 1.061 206 1HG GLU 27 HG2 GLU 27 27.840 5.682 2.340 207 2HG GLU 27 HG1 GLU 27 26.462 6.777 2.414 208 H SER 28 HN SER 28 24.346 3.230 0.129 209 HA SER 28 HA SER 28 25.368 3.257 -2.592 210 1HB SER 28 HB2 SER 28 24.115 1.076 -0.913 211 2HB SER 28 HB1 SER 28 24.655 0.846 -2.577 212 HG SER 28 HG SER 28 26.146 1.212 -0.248 213 H ALA 29 HN ALA 29 22.450 4.055 -1.078 214 HA ALA 29 HA ALA 29 20.532 3.008 -2.846 215 1HB ALA 29 HB3 ALA 29 19.882 3.990 -0.735 216 2HB ALA 29 HB1 ALA 29 19.065 4.823 -2.056 217 3HB ALA 29 HB2 ALA 29 20.449 5.573 -1.263 218 H LYS 30 HN LYS 30 22.513 5.935 -3.051 219 HA LYS 30 HA LYS 30 21.247 7.240 -5.137 220 1HB LYS 30 HB2 LYS 30 24.168 7.086 -4.410 221 2HB LYS 30 HB1 LYS 30 23.574 8.119 -5.703 222 1HG LYS 30 HG2 LYS 30 23.342 9.685 -4.142 223 2HG LYS 30 HG1 LYS 30 21.934 8.773 -3.596 224 1HD LYS 30 HD2 LYS 30 23.065 8.855 -1.625 225 2HD LYS 30 HD1 LYS 30 23.826 7.414 -2.298 226 1HE LYS 30 HE2 LYS 30 25.010 10.073 -2.924 227 2HE LYS 30 HE1 LYS 30 25.259 9.400 -1.314 228 1HZ LYS 30 HZ3 LYS 30 26.114 7.366 -2.415 229 2HZ LYS 30 HZ2 LYS 30 26.027 8.168 -3.902 230 3HZ LYS 30 HZ1 LYS 30 27.064 8.739 -2.695 231 H THR 31 HN THR 31 23.889 4.868 -5.421 232 HA THR 31 HA THR 31 24.132 4.737 -8.159 233 HB THR 31 HB THR 31 24.200 2.291 -6.386 234 HG1 THR 31 HG1 THR 31 26.174 4.304 -6.700 235 1HG2 THR 31 2HG2 THR 31 25.789 3.042 -8.828 236 2HG2 THR 31 1HG2 THR 31 26.066 1.616 -7.828 237 3HG2 THR 31 3HG2 THR 31 24.553 1.789 -8.716 238 H ALA 32 HN ALA 32 21.736 3.248 -6.060 239 HA ALA 32 HA ALA 32 20.473 1.623 -7.987 240 1HB ALA 32 HB3 ALA 32 18.887 2.850 -5.780 241 2HB ALA 32 HB2 ALA 32 18.873 1.198 -6.396 242 3HB ALA 32 HB1 ALA 32 20.203 1.748 -5.377 243 H ALA 33 HN ALA 33 19.911 4.989 -6.979 244 HA ALA 33 HA ALA 33 17.591 5.558 -8.347 245 1HB ALA 33 HB2 ALA 33 18.893 7.090 -6.812 246 2HB ALA 33 HB1 ALA 33 19.890 7.490 -8.212 247 3HB ALA 33 HB3 ALA 33 18.163 7.848 -8.228 248 H GLN 34 HN GLN 34 20.875 6.067 -9.646 249 HA GLN 34 HA GLN 34 19.979 6.643 -12.264 250 1HB GLN 34 HB2 GLN 34 22.280 7.127 -11.214 251 2HB GLN 34 HB1 GLN 34 22.675 5.461 -11.616 252 1HG GLN 34 HG2 GLN 34 21.841 6.190 -14.003 253 2HG GLN 34 HG1 GLN 34 22.248 7.797 -13.400 254 1HE2 GLN 34 1HE2 GLN 34 23.525 4.572 -14.005 255 2HE2 GLN 34 2HE2 GLN 34 25.174 5.058 -14.171 256 H ASN 35 HN ASN 35 20.858 3.676 -10.601 257 HA ASN 35 HA ASN 35 20.931 1.974 -12.846 258 1HB ASN 35 HB2 ASN 35 21.759 1.413 -10.528 259 2HB ASN 35 HB1 ASN 35 20.079 1.182 -10.056 260 1HD2 ASN 35 1HD2 ASN 35 20.004 -0.955 -9.703 261 2HD2 ASN 35 2HD2 ASN 35 20.385 -2.162 -10.878 262 H LEU 36 HN LEU 36 18.294 3.303 -11.028 263 HA LEU 36 HA LEU 36 16.221 1.561 -11.718 264 1HB LEU 36 HB2 LEU 36 16.172 3.560 -10.103 265 2HB LEU 36 HB1 LEU 36 15.913 4.554 -11.523 266 HG LEU 36 HG LEU 36 14.068 2.261 -11.189 267 1HD1 LEU 36 3HD1 LEU 36 14.246 3.044 -8.889 268 2HD1 LEU 36 2HD1 LEU 36 13.925 4.697 -9.415 269 3HD1 LEU 36 1HD1 LEU 36 12.677 3.462 -9.577 270 1HD2 LEU 36 1HD2 LEU 36 13.760 5.158 -11.974 271 2HD2 LEU 36 3HD2 LEU 36 13.799 3.763 -13.053 272 3HD2 LEU 36 2HD2 LEU 36 12.448 3.980 -11.940 273 H TYR 37 HN TYR 37 17.557 4.410 -13.283 274 HA TYR 37 HA TYR 37 15.893 4.384 -15.578 275 1HB TYR 37 HB2 TYR 37 18.392 5.738 -14.754 276 2HB TYR 37 HB1 TYR 37 18.173 5.550 -16.490 277 HD1 TYR 37 HD1 TYR 37 16.516 6.861 -13.430 278 HD2 TYR 37 HD2 TYR 37 16.772 7.010 -17.674 279 HE1 TYR 37 HE1 TYR 37 15.028 8.819 -13.445 280 HE2 TYR 37 HE2 TYR 37 15.285 8.968 -17.701 281 HH TYR 37 HH TYR 37 14.757 10.910 -15.543 282 H GLU 38 HN GLU 38 18.916 2.817 -14.717 283 HA GLU 38 HA GLU 38 19.684 1.831 -17.220 284 1HB GLU 38 HB2 GLU 38 20.946 1.789 -14.959 285 2HB GLU 38 HB1 GLU 38 20.113 0.266 -14.694 286 1HG GLU 38 HG2 GLU 38 21.808 0.820 -17.112 287 2HG GLU 38 HG1 GLU 38 22.429 0.092 -15.631 288 H LYS 39 HN LYS 39 17.941 0.093 -14.665 289 HA LYS 39 HA LYS 39 17.366 -2.216 -16.099 290 1HB LYS 39 HB2 LYS 39 15.922 -0.896 -13.807 291 2HB LYS 39 HB1 LYS 39 15.458 -2.467 -14.444 292 1HG LYS 39 HG2 LYS 39 17.409 -3.487 -13.707 293 2HG LYS 39 HG1 LYS 39 18.269 -1.952 -13.557 294 1HD LYS 39 HD2 LYS 39 15.877 -2.606 -11.859 295 2HD LYS 39 HD1 LYS 39 17.508 -3.099 -11.399 296 1HE LYS 39 HE2 LYS 39 18.165 -0.665 -11.678 297 2HE LYS 39 HE1 LYS 39 16.440 -0.311 -11.770 298 1HZ LYS 39 HZ3 LYS 39 17.746 -1.701 -9.493 299 2HZ LYS 39 HZ2 LYS 39 17.381 -0.049 -9.522 300 3HZ LYS 39 HZ1 LYS 39 16.134 -1.191 -9.579 301 H THR 40 HN THR 40 16.039 0.919 -16.543 302 HA THR 40 HA THR 40 13.449 0.193 -17.446 303 HB THR 40 HB THR 40 15.047 2.579 -18.383 304 HG1 THR 40 HG1 THR 40 13.554 2.249 -15.994 305 1HG2 THR 40 1HG2 THR 40 12.088 2.161 -18.043 306 2HG2 THR 40 3HG2 THR 40 12.860 3.697 -18.438 307 3HG2 THR 40 2HG2 THR 40 12.964 2.343 -19.562 308 H TYR 41 HN TYR 41 16.492 0.782 -19.115 309 HA TYR 41 HA TYR 41 15.555 0.243 -21.730 310 1HB TYR 41 HB2 TYR 41 18.414 -0.240 -20.975 311 2HB TYR 41 HB1 TYR 41 17.755 0.474 -22.441 312 HD1 TYR 41 HD1 TYR 41 16.233 2.712 -21.739 313 HD2 TYR 41 HD2 TYR 41 19.691 1.227 -19.752 314 HE1 TYR 41 HE1 TYR 41 16.668 4.955 -20.829 315 HE2 TYR 41 HE2 TYR 41 20.135 3.465 -18.839 316 HH TYR 41 HH TYR 41 19.192 6.107 -19.896 317 H LEU 42 HN LEU 42 17.080 -1.813 -19.273 318 HA LEU 42 HA LEU 42 17.263 -4.108 -20.970 319 1HB LEU 42 HB2 LEU 42 17.622 -3.643 -18.030 320 2HB LEU 42 HB1 LEU 42 17.624 -5.269 -18.684 321 HG LEU 42 HG LEU 42 19.524 -3.077 -19.523 322 1HD1 LEU 42 2HD1 LEU 42 19.755 -3.954 -17.158 323 2HD1 LEU 42 1HD1 LEU 42 20.165 -5.510 -17.880 324 3HD1 LEU 42 3HD1 LEU 42 21.175 -4.098 -18.193 325 1HD2 LEU 42 3HD2 LEU 42 19.310 -5.992 -20.247 326 2HD2 LEU 42 2HD2 LEU 42 19.239 -4.600 -21.325 327 3HD2 LEU 42 1HD2 LEU 42 20.755 -5.023 -20.531 328 HA PRO 43 HA PRO 43 13.212 -5.789 -20.198 329 1HB PRO 43 HB2 PRO 43 13.490 -8.089 -21.506 330 2HB PRO 43 HB1 PRO 43 13.603 -6.547 -22.361 331 1HG PRO 43 HG2 PRO 43 15.761 -8.430 -21.564 332 2HG PRO 43 HG1 PRO 43 15.659 -7.371 -22.978 333 1HD PRO 43 HD2 PRO 43 17.049 -6.869 -20.552 334 2HD PRO 43 HD1 PRO 43 16.792 -5.737 -21.894 335 H ALA 44 HN ALA 44 14.854 -6.033 -17.888 336 HA ALA 44 HA ALA 44 15.162 -8.687 -16.975 337 1HB ALA 44 HB1 ALA 44 14.991 -6.063 -15.520 338 2HB ALA 44 HB3 ALA 44 15.291 -7.598 -14.706 339 3HB ALA 44 HB2 ALA 44 16.431 -7.002 -15.913 340 H VAL 45 HN VAL 45 12.352 -6.778 -17.316 341 HA VAL 45 HA VAL 45 10.671 -7.299 -15.282 342 HB VAL 45 HB VAL 45 9.931 -7.494 -18.205 343 1HG1 VAL 45 3HG1 VAL 45 8.253 -7.158 -15.728 344 2HG1 VAL 45 2HG1 VAL 45 7.679 -6.729 -17.339 345 3HG1 VAL 45 1HG1 VAL 45 8.122 -8.396 -16.977 346 1HG2 VAL 45 2HG2 VAL 45 10.254 -5.191 -16.314 347 2HG2 VAL 45 1HG2 VAL 45 10.872 -5.382 -17.954 348 3HG2 VAL 45 3HG2 VAL 45 9.153 -5.086 -17.688 349 H ASP 46 HN ASP 46 10.830 -9.494 -18.106 350 HA ASP 46 HA ASP 46 9.274 -11.509 -16.913 351 1HB ASP 46 HB2 ASP 46 9.830 -11.175 -19.393 352 2HB ASP 46 HB1 ASP 46 11.331 -12.030 -19.049 353 H GLU 47 HN GLU 47 12.725 -10.870 -16.804 354 HA GLU 47 HA GLU 47 13.520 -13.427 -15.837 355 1HB GLU 47 HB2 GLU 47 15.270 -12.161 -16.719 356 2HB GLU 47 HB1 GLU 47 14.769 -10.700 -15.884 357 1HG GLU 47 HG2 GLU 47 15.681 -12.997 -14.240 358 2HG GLU 47 HG1 GLU 47 16.890 -12.087 -15.145 359 H LYS 48 HN LYS 48 12.530 -10.428 -14.237 360 HA LYS 48 HA LYS 48 13.159 -11.121 -11.600 361 1HB LYS 48 HB2 LYS 48 11.333 -9.167 -12.894 362 2HB LYS 48 HB1 LYS 48 11.066 -9.509 -11.191 363 1HG LYS 48 HG2 LYS 48 13.145 -8.672 -10.567 364 2HG LYS 48 HG1 LYS 48 13.789 -8.792 -12.206 365 1HD LYS 48 HD2 LYS 48 11.471 -6.988 -11.640 366 2HD LYS 48 HD1 LYS 48 13.110 -6.467 -11.241 367 1HE LYS 48 HE2 LYS 48 13.780 -6.914 -13.578 368 2HE LYS 48 HE1 LYS 48 12.108 -7.325 -13.952 369 1HZ LYS 48 HZ3 LYS 48 11.460 -5.075 -13.331 370 2HZ LYS 48 HZ2 LYS 48 13.070 -4.683 -12.992 371 3HZ LYS 48 HZ1 LYS 48 12.606 -5.054 -14.576 372 H LEU 49 HN LEU 49 10.466 -12.087 -13.609 373 HA LEU 49 HA LEU 49 8.686 -12.917 -11.583 374 1HB LEU 49 HB2 LEU 49 8.989 -14.095 -14.349 375 2HB LEU 49 HB1 LEU 49 7.585 -14.228 -13.309 376 HG LEU 49 HG LEU 49 8.574 -11.569 -14.317 377 1HD1 LEU 49 3HD1 LEU 49 8.067 -13.145 -16.198 378 2HD1 LEU 49 2HD1 LEU 49 6.416 -13.239 -15.586 379 3HD1 LEU 49 1HD1 LEU 49 7.063 -11.697 -16.146 380 1HD2 LEU 49 2HD2 LEU 49 5.916 -12.518 -13.253 381 2HD2 LEU 49 1HD2 LEU 49 7.076 -11.491 -12.408 382 3HD2 LEU 49 3HD2 LEU 49 6.259 -10.896 -13.854 383 H ARG 50 HN ARG 50 10.764 -14.930 -13.670 384 HA ARG 50 HA ARG 50 10.547 -17.253 -12.088 385 1HB ARG 50 HB2 ARG 50 12.153 -16.368 -14.393 386 2HB ARG 50 HB1 ARG 50 12.940 -17.570 -13.379 387 1HG ARG 50 HG2 ARG 50 11.811 -18.762 -15.066 388 2HG ARG 50 HG1 ARG 50 10.849 -18.960 -13.600 389 1HD ARG 50 HD2 ARG 50 10.227 -16.741 -15.503 390 2HD ARG 50 HD1 ARG 50 9.688 -18.379 -15.865 391 HE ARG 50 HE ARG 50 8.836 -18.004 -13.327 392 1HH1 ARG 50 1HH1 ARG 50 8.448 -16.135 -16.263 393 2HH1 ARG 50 2HH1 ARG 50 6.918 -15.481 -15.788 394 1HH2 ARG 50 1HH2 ARG 50 6.821 -17.138 -12.708 395 2HH2 ARG 50 2HH2 ARG 50 5.994 -16.048 -13.770 396 H ASP 51 HN ASP 51 12.577 -14.426 -11.868 397 HA ASP 51 HA ASP 51 14.720 -15.393 -10.376 398 1HB ASP 51 HB2 ASP 51 14.489 -13.081 -11.346 399 2HB ASP 51 HB1 ASP 51 13.422 -12.689 -10.003 400 H LEU 52 HN LEU 52 11.780 -13.810 -9.100 401 HA LEU 52 HA LEU 52 12.305 -14.417 -6.398 402 1HB LEU 52 HB2 LEU 52 10.221 -13.149 -7.915 403 2HB LEU 52 HB1 LEU 52 9.506 -14.235 -6.738 404 HG LEU 52 HG LEU 52 11.188 -13.018 -5.094 405 1HD1 LEU 52 2HD1 LEU 52 12.196 -11.693 -6.948 406 2HD1 LEU 52 1HD1 LEU 52 10.650 -10.866 -7.132 407 3HD1 LEU 52 3HD1 LEU 52 11.556 -10.717 -5.627 408 1HD2 LEU 52 3HD2 LEU 52 8.743 -13.087 -4.896 409 2HD2 LEU 52 2HD2 LEU 52 9.392 -11.500 -4.485 410 3HD2 LEU 52 1HD2 LEU 52 8.618 -11.758 -6.049 411 H TYR 53 HN TYR 53 10.918 -16.298 -8.973 412 HA TYR 53 HA TYR 53 9.507 -18.187 -7.398 413 1HB TYR 53 HB2 TYR 53 10.003 -17.743 -10.159 414 2HB TYR 53 HB1 TYR 53 10.503 -19.392 -9.804 415 HD1 TYR 53 HD1 TYR 53 7.753 -17.251 -10.513 416 HD2 TYR 53 HD2 TYR 53 8.801 -20.882 -8.556 417 HE1 TYR 53 HE1 TYR 53 5.405 -17.974 -10.607 418 HE2 TYR 53 HE2 TYR 53 6.457 -21.614 -8.647 419 HH TYR 53 HH TYR 53 4.331 -20.768 -10.478 420 H SER 54 HN SER 54 12.756 -18.250 -8.865 421 HA SER 54 HA SER 54 13.522 -20.775 -7.903 422 1HB SER 54 HB2 SER 54 14.682 -19.367 -9.687 423 2HB SER 54 HB1 SER 54 15.423 -18.472 -8.360 424 HG SER 54 HG SER 54 16.843 -20.065 -8.818 425 H LYS 55 HN LYS 55 14.076 -17.523 -6.562 426 HA LYS 55 HA LYS 55 15.507 -18.327 -4.280 427 1HB LYS 55 HB2 LYS 55 13.945 -15.881 -5.020 428 2HB LYS 55 HB1 LYS 55 14.509 -16.074 -3.366 429 1HG LYS 55 HG2 LYS 55 16.575 -15.477 -3.913 430 2HG LYS 55 HG1 LYS 55 16.621 -16.612 -5.264 431 1HD LYS 55 HD2 LYS 55 16.891 -14.520 -6.271 432 2HD LYS 55 HD1 LYS 55 15.183 -14.890 -6.509 433 1HE LYS 55 HE2 LYS 55 15.717 -13.485 -4.009 434 2HE LYS 55 HE1 LYS 55 16.207 -12.570 -5.433 435 1HZ LYS 55 HZ2 LYS 55 13.952 -12.961 -6.338 436 2HZ LYS 55 HZ1 LYS 55 13.509 -13.672 -4.869 437 3HZ LYS 55 HZ3 LYS 55 13.952 -12.041 -4.919 438 H SER 56 HN SER 56 12.035 -17.840 -4.821 439 HA SER 56 HA SER 56 11.185 -18.197 -2.170 440 1HB SER 56 HB2 SER 56 9.840 -18.430 -4.836 441 2HB SER 56 HB1 SER 56 8.981 -18.923 -3.377 442 HG SER 56 HG SER 56 9.796 -16.388 -4.198 443 H THR 57 HN THR 57 12.384 -20.574 -4.375 444 HA THR 57 HA THR 57 10.918 -22.818 -3.616 445 HB THR 57 HB THR 57 13.846 -22.724 -4.373 446 HG1 THR 57 HG1 THR 57 13.148 -22.190 -6.260 447 1HG2 THR 57 3HG2 THR 57 11.836 -24.955 -4.528 448 2HG2 THR 57 2HG2 THR 57 13.406 -24.966 -5.330 449 3HG2 THR 57 1HG2 THR 57 13.316 -24.910 -3.570 450 H ALA 58 HN ALA 58 14.157 -21.906 -2.400 451 HA ALA 58 HA ALA 58 13.778 -23.619 -0.083 452 1HB ALA 58 HB2 ALA 58 15.929 -23.643 -1.232 453 2HB ALA 58 HB1 ALA 58 16.142 -21.927 -0.885 454 3HB ALA 58 HB3 ALA 58 16.106 -23.095 0.436 455 H ALA 59 HN ALA 59 14.191 -20.167 -0.788 456 HA ALA 59 HA ALA 59 14.300 -19.251 1.864 457 1HB ALA 59 HB1 ALA 59 13.999 -17.073 1.001 458 2HB ALA 59 HB2 ALA 59 13.187 -17.678 -0.442 459 3HB ALA 59 HB3 ALA 59 14.911 -17.968 -0.214 460 H MET 60 HN MET 60 11.502 -19.080 -0.367 461 HA MET 60 HA MET 60 9.672 -18.226 1.576 462 1HB MET 60 HB2 MET 60 9.539 -18.351 -1.066 463 2HB MET 60 HB1 MET 60 8.699 -19.856 -0.721 464 1HG MET 60 HG2 MET 60 7.036 -18.704 0.561 465 2HG MET 60 HG1 MET 60 7.924 -17.187 0.430 466 1HE MET 60 HE1 MET 60 5.831 -19.881 -1.292 467 2HE MET 60 HE3 MET 60 5.571 -19.274 -2.927 468 3HE MET 60 HE2 MET 60 7.150 -19.910 -2.462 469 H SER 61 HN SER 61 10.674 -21.491 0.680 470 HA SER 61 HA SER 61 8.537 -22.844 1.960 471 1HB SER 61 HB2 SER 61 9.871 -24.851 1.739 472 2HB SER 61 HB1 SER 61 10.045 -23.890 0.272 473 HG SER 61 HG SER 61 12.078 -24.509 0.859 474 H THR 62 HN THR 62 11.259 -21.208 3.230 475 HA THR 62 HA THR 62 11.058 -22.609 5.800 476 HB THR 62 HB THR 62 13.123 -20.582 4.912 477 HG1 THR 62 HG1 THR 62 13.673 -22.249 3.713 478 1HG2 THR 62 3HG2 THR 62 13.076 -22.472 7.250 479 2HG2 THR 62 2HG2 THR 62 14.487 -21.554 6.722 480 3HG2 THR 62 1HG2 THR 62 13.053 -20.709 7.303 481 H TYR 63 HN TYR 63 11.143 -19.314 4.446 482 HA TYR 63 HA TYR 63 10.451 -17.984 6.817 483 1HB TYR 63 HB2 TYR 63 10.857 -17.294 4.016 484 2HB TYR 63 HB1 TYR 63 9.559 -16.359 4.751 485 HD1 TYR 63 HD1 TYR 63 10.038 -14.960 6.759 486 HD2 TYR 63 HD2 TYR 63 13.133 -16.886 4.565 487 HE1 TYR 63 HE1 TYR 63 11.695 -13.474 7.804 488 HE2 TYR 63 HE2 TYR 63 14.799 -15.405 5.604 489 HH TYR 63 HH TYR 63 14.366 -12.718 6.828 490 H THR 64 HN THR 64 8.544 -19.873 4.663 491 HA THR 64 HA THR 64 6.083 -18.504 5.075 492 HB THR 64 HB THR 64 6.832 -21.193 3.998 493 HG1 THR 64 HG1 THR 64 6.684 -19.885 2.351 494 1HG2 THR 64 3HG2 THR 64 4.060 -20.412 4.832 495 2HG2 THR 64 2HG2 THR 64 4.369 -21.565 3.533 496 3HG2 THR 64 1HG2 THR 64 4.933 -21.906 5.169 497 H GLY 65 HN GLY 65 7.246 -21.600 6.399 498 1HA GLY 65 HA1 GLY 65 6.769 -22.641 8.396 499 2HA GLY 65 HA2 GLY 65 5.257 -21.738 8.414 500 H ILE 66 HN ILE 66 8.498 -20.368 8.285 501 HA ILE 66 HA ILE 66 8.803 -19.809 11.038 502 HB ILE 66 HB ILE 66 10.074 -18.606 8.585 503 1HG1 ILE 66 2HG1 ILE 66 10.650 -20.946 9.273 504 2HG1 ILE 66 1HG1 ILE 66 12.023 -19.845 9.265 505 1HG2 ILE 66 1HG2 ILE 66 10.427 -17.825 11.457 506 2HG2 ILE 66 3HG2 ILE 66 11.730 -17.626 10.285 507 3HG2 ILE 66 2HG2 ILE 66 10.193 -16.794 10.046 508 1HD1 ILE 66 3HD1 ILE 66 10.507 -20.389 11.785 509 2HD1 ILE 66 2HD1 ILE 66 11.764 -21.487 11.216 510 3HD1 ILE 66 1HD1 ILE 66 12.159 -19.807 11.580 511 H PHE 67 HN PHE 67 7.938 -17.622 8.346 512 HA PHE 67 HA PHE 67 7.377 -15.342 9.805 513 1HB PHE 67 HB2 PHE 67 7.424 -15.388 7.347 514 2HB PHE 67 HB1 PHE 67 5.921 -16.304 7.330 515 HD1 PHE 67 HD1 PHE 67 3.820 -15.231 7.621 516 HD2 PHE 67 HD2 PHE 67 7.435 -13.034 8.088 517 HE1 PHE 67 HE1 PHE 67 2.540 -13.131 7.603 518 HE2 PHE 67 HE2 PHE 67 6.161 -10.930 8.072 519 HZ PHE 67 HZ PHE 67 3.711 -10.976 7.829 520 H THR 68 HN THR 68 5.017 -17.819 8.798 521 HA THR 68 HA THR 68 2.863 -16.740 10.254 522 HB THR 68 HB THR 68 1.769 -18.932 9.886 523 HG1 THR 68 HG1 THR 68 3.252 -20.468 9.945 524 1HG2 THR 68 1HG2 THR 68 1.703 -17.310 8.069 525 2HG2 THR 68 3HG2 THR 68 3.225 -17.945 7.444 526 3HG2 THR 68 2HG2 THR 68 1.785 -18.963 7.462 527 H ASP 69 HN ASP 69 5.536 -18.672 11.231 528 HA ASP 69 HA ASP 69 4.473 -20.002 13.450 529 1HB ASP 69 HB2 ASP 69 7.019 -19.681 12.344 530 2HB ASP 69 HB1 ASP 69 7.164 -19.039 13.976 531 H GLN 70 HN GLN 70 6.214 -16.882 13.421 532 HA GLN 70 HA GLN 70 5.563 -16.270 16.122 533 1HB GLN 70 HB2 GLN 70 6.765 -14.745 13.843 534 2HB GLN 70 HB1 GLN 70 6.261 -13.883 15.290 535 1HG GLN 70 HG2 GLN 70 7.892 -16.263 15.798 536 2HG GLN 70 HG1 GLN 70 8.710 -14.983 14.903 537 1HE2 GLN 70 1HE2 GLN 70 6.834 -15.627 17.830 538 2HE2 GLN 70 2HE2 GLN 70 7.567 -14.387 18.783 539 H VAL 71 HN VAL 71 3.928 -15.778 13.104 540 HA VAL 71 HA VAL 71 2.200 -13.668 13.911 541 HB VAL 71 HB VAL 71 1.861 -15.758 11.746 542 1HG1 VAL 71 2HG1 VAL 71 0.188 -13.359 12.443 543 2HG1 VAL 71 1HG1 VAL 71 0.177 -14.087 10.837 544 3HG1 VAL 71 3HG1 VAL 71 -0.327 -15.033 12.237 545 1HG2 VAL 71 2HG2 VAL 71 3.700 -13.827 11.770 546 2HG2 VAL 71 1HG2 VAL 71 2.886 -14.343 10.294 547 3HG2 VAL 71 3HG2 VAL 71 2.340 -12.896 11.143 548 H LEU 72 HN LEU 72 1.745 -17.166 13.571 549 HA LEU 72 HA LEU 72 -0.797 -17.355 14.721 550 1HB LEU 72 HB2 LEU 72 1.483 -19.326 14.583 551 2HB LEU 72 HB1 LEU 72 -0.086 -19.738 15.248 552 HG LEU 72 HG LEU 72 0.084 -18.627 12.474 553 1HD1 LEU 72 2HD1 LEU 72 1.759 -20.441 12.613 554 2HD1 LEU 72 1HD1 LEU 72 0.489 -21.533 13.167 555 3HD1 LEU 72 3HD1 LEU 72 0.404 -20.828 11.552 556 1HD2 LEU 72 2HD2 LEU 72 -2.102 -18.908 13.529 557 2HD2 LEU 72 1HD2 LEU 72 -1.906 -20.005 12.162 558 3HD2 LEU 72 3HD2 LEU 72 -1.752 -20.613 13.811 559 H SER 73 HN SER 73 2.439 -17.238 16.090 560 HA SER 73 HA SER 73 1.831 -17.951 18.729 561 1HB SER 73 HB2 SER 73 4.145 -17.548 17.625 562 2HB SER 73 HB1 SER 73 3.898 -15.862 18.082 563 HG SER 73 HG SER 73 4.424 -18.074 19.661 564 H VAL 74 HN VAL 74 1.581 -14.865 17.066 565 HA VAL 74 HA VAL 74 0.910 -13.360 19.404 566 HB VAL 74 HB VAL 74 0.308 -12.698 16.512 567 1HG1 VAL 74 1HG1 VAL 74 0.187 -11.123 19.055 568 2HG1 VAL 74 3HG1 VAL 74 0.495 -10.320 17.515 569 3HG1 VAL 74 2HG1 VAL 74 -0.994 -11.233 17.750 570 1HG2 VAL 74 3HG2 VAL 74 2.805 -12.828 17.917 571 2HG2 VAL 74 2HG2 VAL 74 2.494 -12.415 16.230 572 3HG2 VAL 74 1HG2 VAL 74 2.458 -11.158 17.467 573 H LEU 75 HN LEU 75 -0.819 -15.516 17.353 574 HA LEU 75 HA LEU 75 -3.438 -14.494 17.656 575 1HB LEU 75 HB2 LEU 75 -2.465 -16.375 16.091 576 2HB LEU 75 HB1 LEU 75 -2.936 -17.425 17.414 577 HG LEU 75 HG LEU 75 -5.262 -16.367 17.206 578 1HD1 LEU 75 2HD1 LEU 75 -4.069 -15.503 14.577 579 2HD1 LEU 75 1HD1 LEU 75 -5.790 -15.492 14.962 580 3HD1 LEU 75 3HD1 LEU 75 -4.679 -14.454 15.856 581 1HD2 LEU 75 2HD2 LEU 75 -4.179 -18.071 14.965 582 2HD2 LEU 75 1HD2 LEU 75 -4.766 -18.649 16.524 583 3HD2 LEU 75 3HD2 LEU 75 -5.881 -17.889 15.390 584 H LYS 76 HN LYS 76 -1.422 -16.549 19.603 585 HA LYS 76 HA LYS 76 -3.453 -17.426 21.400 586 1HB LYS 76 HB2 LYS 76 -0.488 -17.272 21.957 587 2HB LYS 76 HB1 LYS 76 -1.665 -18.311 22.745 588 1HG LYS 76 HG2 LYS 76 -0.849 -18.489 19.849 589 2HG LYS 76 HG1 LYS 76 -0.260 -19.525 21.147 590 1HD LYS 76 HD2 LYS 76 -1.948 -20.888 20.587 591 2HD LYS 76 HD1 LYS 76 -2.980 -19.729 21.424 592 1HE LYS 76 HE2 LYS 76 -3.943 -20.143 19.281 593 2HE LYS 76 HE1 LYS 76 -3.254 -18.521 19.255 594 1HZ LYS 76 HZ3 LYS 76 -1.782 -20.881 18.236 595 2HZ LYS 76 HZ2 LYS 76 -2.810 -19.967 17.255 596 3HZ LYS 76 HZ1 LYS 76 -1.453 -19.244 17.958 597 H GLY 77 HN GLY 77 -0.950 -14.891 21.605 598 1HA GLY 77 HA1 GLY 77 -0.648 -13.223 23.182 599 2HA GLY 77 HA2 GLY 77 -1.894 -13.971 24.168 600 H GLU 78 HN GLU 78 -1.431 -12.022 21.235 601 HA GLU 78 HA GLU 78 -3.380 -10.113 22.005 602 1HB GLU 78 HB2 GLU 78 -1.398 -9.702 20.503 603 2HB GLU 78 HB1 GLU 78 -2.267 -10.545 19.230 604 1HG GLU 78 HG2 GLU 78 -3.453 -8.175 20.626 605 2HG GLU 78 HG1 GLU 78 -2.347 -7.992 19.266 606 H GLU 79 HN GLU 79 -3.392 -12.512 19.357 607 HA GLU 79 HA GLU 79 -5.073 -13.710 18.407 608 1HB GLU 79 HB2 GLU 79 -5.966 -13.639 20.882 609 2HB GLU 79 HB1 GLU 79 -7.148 -12.523 20.214 610 1HG GLU 79 HG2 GLU 79 -6.679 -15.384 19.410 611 2HG GLU 79 HG1 GLU 79 -8.090 -14.714 20.227 No H/Q in entry = 611 Start of MODEL 5 1 H1 THR 1 HT2 THR 1 10.308 -5.783 27.588 2 H2 THR 1 HT1 THR 1 9.407 -4.342 27.349 3 H3 THR 1 HT3 THR 1 8.986 -5.415 28.618 4 HA THR 1 HA THR 1 7.464 -5.636 26.835 5 HB THR 1 HB THR 1 8.388 -6.564 24.655 6 HG1 THR 1 HG1 THR 1 10.840 -5.462 25.532 7 1HG2 THR 1 3HG2 THR 1 7.724 -4.147 25.012 8 2HG2 THR 1 2HG2 THR 1 9.446 -3.812 25.191 9 3HG2 THR 1 1HG2 THR 1 8.831 -4.484 23.682 10 H GLN 2 HN GLN 2 6.379 -7.486 27.105 11 HA GLN 2 HA GLN 2 7.706 -9.758 28.281 12 1HB GLN 2 HB2 GLN 2 5.299 -8.800 28.734 13 2HB GLN 2 HB1 GLN 2 4.849 -9.825 27.379 14 1HG GLN 2 HG2 GLN 2 6.346 -10.871 29.760 15 2HG GLN 2 HG1 GLN 2 4.586 -10.798 29.700 16 1HE2 GLN 2 1HE2 GLN 2 7.373 -12.529 28.799 17 2HE2 GLN 2 2HE2 GLN 2 6.596 -13.758 27.868 18 H GLN 3 HN GLN 3 9.022 -10.737 26.806 19 HA GLN 3 HA GLN 3 9.638 -12.116 25.116 20 1HB GLN 3 HB2 GLN 3 7.408 -13.232 25.968 21 2HB GLN 3 HB1 GLN 3 6.785 -12.692 24.417 22 1HG GLN 3 HG2 GLN 3 9.305 -13.979 24.025 23 2HG GLN 3 HG1 GLN 3 8.257 -15.017 24.991 24 1HE2 GLN 3 1HE2 GLN 3 9.251 -14.916 22.077 25 2HE2 GLN 3 2HE2 GLN 3 7.819 -15.219 21.162 26 HA PRO 4 HA PRO 4 8.602 -8.757 22.064 27 1HB PRO 4 HB2 PRO 4 11.124 -7.883 21.682 28 2HB PRO 4 HB1 PRO 4 10.115 -7.314 23.015 29 1HG PRO 4 HG2 PRO 4 12.285 -9.373 23.022 30 2HG PRO 4 HG1 PRO 4 11.949 -8.097 24.206 31 1HD PRO 4 HD2 PRO 4 11.210 -10.700 24.553 32 2HD PRO 4 HD1 PRO 4 10.329 -9.332 25.262 33 H GLN 5 HN GLN 5 10.190 -11.711 22.019 34 HA GLN 5 HA GLN 5 11.406 -11.600 19.442 35 1HB GLN 5 HB2 GLN 5 10.604 -13.888 21.234 36 2HB GLN 5 HB1 GLN 5 11.352 -14.137 19.665 37 1HG GLN 5 HG2 GLN 5 13.103 -14.272 21.201 38 2HG GLN 5 HG1 GLN 5 13.242 -12.664 20.496 39 1HE2 GLN 5 1HE2 GLN 5 11.504 -14.218 23.191 40 2HE2 GLN 5 2HE2 GLN 5 11.871 -12.991 24.350 41 H GLN 6 HN GLN 6 8.213 -12.503 20.640 42 HA GLN 6 HA GLN 6 7.286 -13.703 18.247 43 1HB GLN 6 HB2 GLN 6 5.091 -13.607 19.226 44 2HB GLN 6 HB1 GLN 6 6.241 -14.018 20.491 45 1HG GLN 6 HG2 GLN 6 6.219 -11.683 21.247 46 2HG GLN 6 HG1 GLN 6 5.031 -11.305 20.003 47 1HE2 GLN 6 1HE2 GLN 6 3.085 -12.893 20.074 48 2HE2 GLN 6 2HE2 GLN 6 2.409 -13.144 21.642 49 H ASP 7 HN ASP 7 5.331 -12.764 17.026 50 HA ASP 7 HA ASP 7 6.145 -10.326 15.803 51 1HB ASP 7 HB2 ASP 7 3.749 -12.116 15.455 52 2HB ASP 7 HB1 ASP 7 3.915 -10.607 14.563 53 H GLU 8 HN GLU 8 3.940 -11.080 18.376 54 HA GLU 8 HA GLU 8 2.334 -8.742 18.194 55 1HB GLU 8 HB2 GLU 8 1.928 -10.986 19.483 56 2HB GLU 8 HB1 GLU 8 2.788 -10.180 20.785 57 1HG GLU 8 HG2 GLU 8 1.007 -8.983 21.337 58 2HG GLU 8 HG1 GLU 8 0.742 -8.477 19.670 59 H MET 9 HN MET 9 4.563 -9.536 20.878 60 HA MET 9 HA MET 9 4.876 -6.809 21.601 61 1HB MET 9 HB2 MET 9 5.885 -9.405 22.544 62 2HB MET 9 HB1 MET 9 6.991 -8.063 22.801 63 1HG MET 9 HG2 MET 9 4.113 -8.029 23.665 64 2HG MET 9 HG1 MET 9 5.439 -8.563 24.696 65 1HE MET 9 HE3 MET 9 3.592 -5.877 22.943 66 2HE MET 9 HE2 MET 9 3.204 -5.562 24.635 67 3HE MET 9 HE1 MET 9 4.112 -4.372 23.702 68 HA PRO 10 HA PRO 10 8.016 -5.893 18.544 69 1HB PRO 10 HB2 PRO 10 8.317 -3.282 19.141 70 2HB PRO 10 HB1 PRO 10 6.897 -3.892 18.283 71 1HG PRO 10 HG2 PRO 10 7.208 -3.196 21.177 72 2HG PRO 10 HG1 PRO 10 5.861 -2.842 20.079 73 1HD PRO 10 HD2 PRO 10 5.844 -4.901 21.872 74 2HD PRO 10 HD1 PRO 10 4.936 -4.923 20.347 75 H SER 11 HN SER 11 10.187 -6.040 18.596 76 HA SER 11 HA SER 11 11.541 -6.306 21.095 77 1HB SER 11 HB2 SER 11 12.090 -7.592 18.990 78 2HB SER 11 HB1 SER 11 12.820 -6.114 18.363 79 HG SER 11 HG SER 11 14.392 -6.236 19.862 80 HA PRO 12 HA PRO 12 12.400 -1.918 21.523 81 1HB PRO 12 HB2 PRO 12 13.896 -2.160 23.796 82 2HB PRO 12 HB1 PRO 12 12.129 -2.156 23.784 83 1HG PRO 12 HG2 PRO 12 14.020 -4.472 23.922 84 2HG PRO 12 HG1 PRO 12 12.515 -4.199 24.818 85 1HD PRO 12 HD2 PRO 12 12.636 -5.840 22.681 86 2HD PRO 12 HD1 PRO 12 11.191 -4.877 23.052 87 H THR 13 HN THR 13 14.884 -4.445 21.802 88 HA THR 13 HA THR 13 17.087 -2.692 21.348 89 HB THR 13 HB THR 13 17.018 -5.685 20.929 90 HG1 THR 13 HG1 THR 13 16.523 -5.682 22.976 91 1HG2 THR 13 2HG2 THR 13 19.253 -3.791 21.595 92 2HG2 THR 13 1HG2 THR 13 19.371 -5.547 21.710 93 3HG2 THR 13 3HG2 THR 13 19.078 -4.783 20.147 94 H PHE 14 HN PHE 14 18.267 -2.321 19.496 95 HA PHE 14 HA PHE 14 18.840 -2.297 17.284 96 1HB PHE 14 HB2 PHE 14 17.869 -4.755 17.367 97 2HB PHE 14 HB1 PHE 14 16.559 -4.029 16.442 98 HD1 PHE 14 HD1 PHE 14 16.917 -3.231 14.190 99 HD2 PHE 14 HD2 PHE 14 20.097 -4.948 16.438 100 HE1 PHE 14 HE1 PHE 14 18.249 -3.448 12.133 101 HE2 PHE 14 HE2 PHE 14 21.434 -5.168 14.385 102 HZ PHE 14 HZ PHE 14 20.510 -4.417 12.230 103 H LEU 15 HN LEU 15 15.733 -1.526 18.504 104 HA LEU 15 HA LEU 15 14.514 -0.439 16.216 105 1HB LEU 15 HB2 LEU 15 13.795 -0.772 18.841 106 2HB LEU 15 HB1 LEU 15 13.972 0.969 18.735 107 HG LEU 15 HG LEU 15 12.438 0.789 16.661 108 1HD1 LEU 15 1HD1 LEU 15 12.641 -1.722 16.599 109 2HD1 LEU 15 3HD1 LEU 15 11.616 -1.758 18.033 110 3HD1 LEU 15 2HD1 LEU 15 10.998 -1.085 16.525 111 1HD2 LEU 15 1HD2 LEU 15 11.787 1.833 18.767 112 2HD2 LEU 15 3HD2 LEU 15 10.449 0.918 18.072 113 3HD2 LEU 15 2HD2 LEU 15 11.363 0.254 19.428 114 H THR 16 HN THR 16 16.385 1.170 18.799 115 HA THR 16 HA THR 16 16.406 3.736 17.688 116 HB THR 16 HB THR 16 18.642 2.526 19.322 117 HG1 THR 16 HG1 THR 16 16.162 3.601 20.181 118 1HG2 THR 16 1HG2 THR 16 17.627 5.345 19.075 119 2HG2 THR 16 3HG2 THR 16 18.782 4.796 20.289 120 3HG2 THR 16 2HG2 THR 16 19.203 4.727 18.578 121 H GLN 17 HN GLN 17 18.471 0.949 17.074 122 HA GLN 17 HA GLN 17 20.508 2.230 15.631 123 1HB GLN 17 HB2 GLN 17 20.331 -0.211 16.534 124 2HB GLN 17 HB1 GLN 17 19.611 -0.554 14.966 125 1HG GLN 17 HG2 GLN 17 21.723 0.633 14.032 126 2HG GLN 17 HG1 GLN 17 22.394 0.299 15.627 127 1HE2 GLN 17 1HE2 GLN 17 22.444 -1.935 16.332 128 2HE2 GLN 17 2HE2 GLN 17 22.601 -3.191 15.156 129 H VAL 18 HN VAL 18 17.444 0.808 14.562 130 HA VAL 18 HA VAL 18 17.432 0.649 11.932 131 HB VAL 18 HB VAL 18 15.368 2.181 13.514 132 1HG1 VAL 18 2HG1 VAL 18 15.345 1.221 10.667 133 2HG1 VAL 18 1HG1 VAL 18 13.856 1.475 11.580 134 3HG1 VAL 18 3HG1 VAL 18 14.956 2.824 11.293 135 1HG2 VAL 18 3HG2 VAL 18 15.666 -0.704 12.716 136 2HG2 VAL 18 2HG2 VAL 18 15.509 -0.027 14.336 137 3HG2 VAL 18 1HG2 VAL 18 14.128 -0.017 13.240 138 H LYS 19 HN LYS 19 17.336 3.843 13.528 139 HA LYS 19 HA LYS 19 17.072 5.470 11.322 140 1HB LYS 19 HB2 LYS 19 18.555 5.880 13.908 141 2HB LYS 19 HB1 LYS 19 18.447 7.147 12.695 142 1HG LYS 19 HG2 LYS 19 15.830 6.171 13.109 143 2HG LYS 19 HG1 LYS 19 16.560 6.414 14.697 144 1HD LYS 19 HD2 LYS 19 16.826 8.526 12.597 145 2HD LYS 19 HD1 LYS 19 15.324 8.383 13.512 146 1HE LYS 19 HE2 LYS 19 16.313 8.992 15.493 147 2HE LYS 19 HE1 LYS 19 17.905 8.419 14.998 148 1HZ LYS 19 HZ1 LYS 19 16.558 10.861 13.971 149 2HZ LYS 19 HZ3 LYS 19 17.815 10.833 15.103 150 3HZ LYS 19 HZ2 LYS 19 18.093 10.314 13.517 151 H GLU 20 HN GLU 20 20.123 4.258 12.707 152 HA GLU 20 HA GLU 20 21.815 5.504 10.826 153 1HB GLU 20 HB2 GLU 20 22.293 2.990 12.436 154 2HB GLU 20 HB1 GLU 20 23.532 3.912 11.597 155 1HG GLU 20 HG2 GLU 20 23.834 4.881 13.588 156 2HG GLU 20 HG1 GLU 20 22.428 5.843 13.136 157 H SER 21 HN SER 21 19.981 2.557 10.749 158 HA SER 21 HA SER 21 21.297 1.239 8.636 159 1HB SER 21 HB2 SER 21 19.427 0.402 10.274 160 2HB SER 21 HB1 SER 21 18.332 0.991 9.022 161 HG SER 21 HG SER 21 18.987 -0.550 7.696 162 H LEU 22 HN LEU 22 18.918 3.817 8.676 163 HA LEU 22 HA LEU 22 18.179 3.634 5.934 164 1HB LEU 22 HB2 LEU 22 17.820 5.647 8.106 165 2HB LEU 22 HB1 LEU 22 17.538 6.147 6.449 166 HG LEU 22 HG LEU 22 15.990 4.033 6.371 167 1HD1 LEU 22 1HD1 LEU 22 16.234 4.589 9.318 168 2HD1 LEU 22 3HD1 LEU 22 14.867 3.735 8.599 169 3HD1 LEU 22 2HD1 LEU 22 16.492 3.061 8.475 170 1HD2 LEU 22 1HD2 LEU 22 15.244 6.338 6.088 171 2HD2 LEU 22 3HD2 LEU 22 14.106 5.419 7.073 172 3HD2 LEU 22 2HD2 LEU 22 15.220 6.552 7.838 173 H SER 23 HN SER 23 20.456 5.753 7.693 174 HA SER 23 HA SER 23 21.286 7.260 5.488 175 1HB SER 23 HB2 SER 23 23.285 7.820 6.828 176 2HB SER 23 HB1 SER 23 21.808 7.935 7.782 177 HG SER 23 HG SER 23 22.408 6.251 8.947 178 H SER 24 HN SER 24 22.744 4.330 6.893 179 HA SER 24 HA SER 24 24.813 4.084 4.984 180 1HB SER 24 HB2 SER 24 23.495 1.921 6.646 181 2HB SER 24 HB1 SER 24 25.045 1.781 5.816 182 HG SER 24 HG SER 24 24.399 3.086 8.167 183 H TYR 25 HN TYR 25 21.438 3.433 4.795 184 HA TYR 25 HA TYR 25 21.619 1.489 2.675 185 1HB TYR 25 HB2 TYR 25 19.704 1.418 4.171 186 2HB TYR 25 HB1 TYR 25 19.271 3.071 3.748 187 HD1 TYR 25 HD1 TYR 25 19.443 -0.397 2.489 188 HD2 TYR 25 HD2 TYR 25 18.018 3.548 1.778 189 HE1 TYR 25 HE1 TYR 25 18.022 -1.245 0.671 190 HE2 TYR 25 HE2 TYR 25 16.592 2.712 -0.043 191 HH TYR 25 HH TYR 25 16.909 0.243 -1.643 192 H TRP 26 HN TRP 26 21.012 4.967 2.950 193 HA TRP 26 HA TRP 26 20.326 5.437 0.258 194 1HB TRP 26 HB2 TRP 26 19.946 7.041 2.136 195 2HB TRP 26 HB1 TRP 26 21.677 7.363 2.158 196 HD1 TRP 26 HD1 TRP 26 18.505 8.220 0.285 197 HE1 TRP 26 HE1 TRP 26 19.019 10.022 -1.480 198 HE3 TRP 26 HE3 TRP 26 23.611 8.198 0.561 199 HZ2 TRP 26 HZ2 TRP 26 21.287 11.267 -2.608 200 HZ3 TRP 26 HZ3 TRP 26 24.877 9.723 -0.896 201 HH2 TRP 26 HH2 TRP 26 23.738 11.225 -2.446 202 H GLU 27 HN GLU 27 23.426 5.375 1.929 203 HA GLU 27 HA GLU 27 25.194 6.462 0.193 204 1HB GLU 27 HB2 GLU 27 25.317 4.231 2.115 205 2HB GLU 27 HB1 GLU 27 26.566 4.202 0.878 206 1HG GLU 27 HG2 GLU 27 27.491 5.371 2.683 207 2HG GLU 27 HG1 GLU 27 27.053 6.603 1.500 208 H SER 28 HN SER 28 24.209 3.044 0.071 209 HA SER 28 HA SER 28 25.248 2.771 -2.622 210 1HB SER 28 HB2 SER 28 23.921 0.830 -0.724 211 2HB SER 28 HB1 SER 28 24.396 0.397 -2.366 212 HG SER 28 HG SER 28 25.998 -0.108 -0.777 213 H ALA 29 HN ALA 29 22.263 3.614 -1.153 214 HA ALA 29 HA ALA 29 20.414 2.538 -2.979 215 1HB ALA 29 HB1 ALA 29 19.781 3.555 -0.828 216 2HB ALA 29 HB3 ALA 29 20.179 5.144 -1.482 217 3HB ALA 29 HB2 ALA 29 18.858 4.208 -2.181 218 H LYS 30 HN LYS 30 22.406 5.448 -3.152 219 HA LYS 30 HA LYS 30 21.159 6.794 -5.221 220 1HB LYS 30 HB2 LYS 30 23.413 7.221 -3.787 221 2HB LYS 30 HB1 LYS 30 24.116 6.754 -5.329 222 1HG LYS 30 HG2 LYS 30 21.987 8.852 -5.196 223 2HG LYS 30 HG1 LYS 30 23.673 9.246 -4.856 224 1HD LYS 30 HD2 LYS 30 23.075 7.706 -7.328 225 2HD LYS 30 HD1 LYS 30 22.649 9.417 -7.300 226 1HE LYS 30 HE2 LYS 30 24.801 9.472 -8.134 227 2HE LYS 30 HE1 LYS 30 25.069 9.741 -6.412 228 1HZ LYS 30 HZ2 LYS 30 25.171 7.017 -7.548 229 2HZ LYS 30 HZ1 LYS 30 26.520 8.034 -7.623 230 3HZ LYS 30 HZ3 LYS 30 25.870 7.600 -6.122 231 H THR 31 HN THR 31 23.753 4.371 -5.539 232 HA THR 31 HA THR 31 23.976 4.260 -8.282 233 HB THR 31 HB THR 31 24.005 1.801 -6.522 234 HG1 THR 31 HG1 THR 31 25.494 2.812 -5.450 235 1HG2 THR 31 1HG2 THR 31 25.591 2.522 -8.974 236 2HG2 THR 31 3HG2 THR 31 25.828 1.080 -7.987 237 3HG2 THR 31 2HG2 THR 31 24.315 1.310 -8.864 238 H ALA 32 HN ALA 32 21.563 2.807 -6.178 239 HA ALA 32 HA ALA 32 20.249 1.229 -8.112 240 1HB ALA 32 HB2 ALA 32 18.704 2.473 -5.888 241 2HB ALA 32 HB1 ALA 32 18.653 0.826 -6.513 242 3HB ALA 32 HB3 ALA 32 19.999 1.342 -5.497 243 H ALA 33 HN ALA 33 19.782 4.598 -7.069 244 HA ALA 33 HA ALA 33 17.470 5.244 -8.420 245 1HB ALA 33 HB2 ALA 33 18.848 6.722 -6.880 246 2HB ALA 33 HB1 ALA 33 19.817 7.117 -8.300 247 3HB ALA 33 HB3 ALA 33 18.099 7.512 -8.266 248 H GLN 34 HN GLN 34 20.771 5.612 -9.721 249 HA GLN 34 HA GLN 34 19.910 6.263 -12.334 250 1HB GLN 34 HB2 GLN 34 22.276 6.471 -11.160 251 2HB GLN 34 HB1 GLN 34 22.528 4.888 -11.882 252 1HG GLN 34 HG2 GLN 34 21.480 7.023 -13.644 253 2HG GLN 34 HG1 GLN 34 23.156 7.159 -13.114 254 1HE2 GLN 34 1HE2 GLN 34 24.618 5.458 -13.646 255 2HE2 GLN 34 2HE2 GLN 34 24.318 4.437 -15.008 256 H ASN 35 HN ASN 35 20.625 3.237 -10.696 257 HA ASN 35 HA ASN 35 20.598 1.553 -12.955 258 1HB ASN 35 HB2 ASN 35 21.211 1.098 -10.410 259 2HB ASN 35 HB1 ASN 35 19.544 0.535 -10.357 260 1HD2 ASN 35 1HD2 ASN 35 22.739 -0.084 -11.481 261 2HD2 ASN 35 2HD2 ASN 35 22.435 -1.652 -12.139 262 H LEU 36 HN LEU 36 18.043 3.007 -11.125 263 HA LEU 36 HA LEU 36 15.875 1.394 -11.838 264 1HB LEU 36 HB2 LEU 36 16.023 3.463 -10.233 265 2HB LEU 36 HB1 LEU 36 15.623 4.382 -11.672 266 HG LEU 36 HG LEU 36 13.878 2.072 -10.967 267 1HD1 LEU 36 2HD1 LEU 36 14.233 3.250 -8.832 268 2HD1 LEU 36 1HD1 LEU 36 13.701 4.749 -9.592 269 3HD1 LEU 36 3HD1 LEU 36 12.578 3.399 -9.423 270 1HD2 LEU 36 3HD2 LEU 36 13.453 4.801 -12.174 271 2HD2 LEU 36 2HD2 LEU 36 13.408 3.244 -13.001 272 3HD2 LEU 36 1HD2 LEU 36 12.157 3.656 -11.828 273 H TYR 37 HN TYR 37 17.372 4.183 -13.351 274 HA TYR 37 HA TYR 37 15.736 4.291 -15.659 275 1HB TYR 37 HB2 TYR 37 17.986 5.707 -14.628 276 2HB TYR 37 HB1 TYR 37 18.382 5.200 -16.265 277 HD1 TYR 37 HD1 TYR 37 16.702 7.618 -14.281 278 HD2 TYR 37 HD2 TYR 37 16.637 5.741 -18.099 279 HE1 TYR 37 HE1 TYR 37 15.383 9.492 -15.174 280 HE2 TYR 37 HE2 TYR 37 15.319 7.610 -19.002 281 HH TYR 37 HH TYR 37 15.124 10.405 -17.947 282 H GLU 38 HN GLU 38 18.734 2.630 -14.840 283 HA GLU 38 HA GLU 38 19.414 1.624 -17.358 284 1HB GLU 38 HB2 GLU 38 19.965 0.657 -14.570 285 2HB GLU 38 HB1 GLU 38 20.517 -0.258 -15.964 286 1HG GLU 38 HG2 GLU 38 21.973 1.424 -16.648 287 2HG GLU 38 HG1 GLU 38 21.165 2.649 -15.671 288 H LYS 39 HN LYS 39 17.629 -0.041 -14.775 289 HA LYS 39 HA LYS 39 17.017 -2.345 -16.242 290 1HB LYS 39 HB2 LYS 39 16.612 -1.469 -13.650 291 2HB LYS 39 HB1 LYS 39 14.979 -1.629 -14.281 292 1HG LYS 39 HG2 LYS 39 16.363 -3.933 -15.096 293 2HG LYS 39 HG1 LYS 39 16.793 -3.659 -13.407 294 1HD LYS 39 HD2 LYS 39 14.646 -3.958 -12.667 295 2HD LYS 39 HD1 LYS 39 13.932 -3.410 -14.185 296 1HE LYS 39 HE2 LYS 39 13.983 -5.470 -15.106 297 2HE LYS 39 HE1 LYS 39 15.517 -5.887 -14.346 298 1HZ LYS 39 HZ3 LYS 39 12.915 -5.805 -12.917 299 2HZ LYS 39 HZ2 LYS 39 13.616 -7.212 -13.539 300 3HZ LYS 39 HZ1 LYS 39 14.393 -6.358 -12.304 301 H THR 40 HN THR 40 15.792 0.805 -16.666 302 HA THR 40 HA THR 40 13.132 0.161 -17.445 303 HB THR 40 HB THR 40 14.773 2.516 -18.390 304 HG1 THR 40 HG1 THR 40 13.271 2.193 -16.008 305 1HG2 THR 40 3HG2 THR 40 11.805 2.161 -18.062 306 2HG2 THR 40 2HG2 THR 40 12.611 3.688 -18.420 307 3HG2 THR 40 1HG2 THR 40 12.690 2.358 -19.574 308 H TYR 41 HN TYR 41 16.055 0.850 -19.311 309 HA TYR 41 HA TYR 41 14.955 0.230 -21.844 310 1HB TYR 41 HB2 TYR 41 17.883 0.038 -21.141 311 2HB TYR 41 HB1 TYR 41 17.166 0.422 -22.701 312 HD1 TYR 41 HD1 TYR 41 18.655 1.765 -19.801 313 HD2 TYR 41 HD2 TYR 41 15.714 2.615 -22.758 314 HE1 TYR 41 HE1 TYR 41 18.834 4.161 -19.282 315 HE2 TYR 41 HE2 TYR 41 15.886 5.013 -22.247 316 HH TYR 41 HH TYR 41 18.189 6.459 -20.950 317 H LEU 42 HN LEU 42 16.716 -1.705 -19.462 318 HA LEU 42 HA LEU 42 16.992 -4.003 -21.132 319 1HB LEU 42 HB2 LEU 42 17.420 -3.411 -18.239 320 2HB LEU 42 HB1 LEU 42 17.353 -5.085 -18.757 321 HG LEU 42 HG LEU 42 19.146 -4.271 -20.519 322 1HD1 LEU 42 2HD1 LEU 42 19.478 -2.312 -18.251 323 2HD1 LEU 42 1HD1 LEU 42 20.648 -2.593 -19.539 324 3HD1 LEU 42 3HD1 LEU 42 19.063 -1.923 -19.920 325 1HD2 LEU 42 3HD2 LEU 42 19.478 -6.016 -18.842 326 2HD2 LEU 42 2HD2 LEU 42 20.897 -4.977 -18.971 327 3HD2 LEU 42 1HD2 LEU 42 19.784 -4.786 -17.616 328 HA PRO 43 HA PRO 43 13.001 -5.817 -20.340 329 1HB PRO 43 HB2 PRO 43 13.320 -8.069 -21.721 330 2HB PRO 43 HB1 PRO 43 13.342 -6.500 -22.534 331 1HG PRO 43 HG2 PRO 43 15.604 -8.310 -21.849 332 2HG PRO 43 HG1 PRO 43 15.401 -7.243 -23.248 333 1HD PRO 43 HD2 PRO 43 16.880 -6.699 -20.899 334 2HD PRO 43 HD1 PRO 43 16.470 -5.551 -22.189 335 H ALA 44 HN ALA 44 15.376 -6.379 -18.391 336 HA ALA 44 HA ALA 44 15.221 -9.074 -17.569 337 1HB ALA 44 HB3 ALA 44 16.182 -6.572 -16.221 338 2HB ALA 44 HB2 ALA 44 16.205 -8.138 -15.411 339 3HB ALA 44 HB1 ALA 44 17.128 -7.899 -16.895 340 H VAL 45 HN VAL 45 13.025 -6.493 -17.138 341 HA VAL 45 HA VAL 45 11.893 -6.690 -14.714 342 HB VAL 45 HB VAL 45 9.635 -6.314 -15.828 343 1HG1 VAL 45 2HG1 VAL 45 11.107 -4.513 -15.053 344 2HG1 VAL 45 1HG1 VAL 45 11.920 -4.510 -16.618 345 3HG1 VAL 45 3HG1 VAL 45 10.219 -4.056 -16.506 346 1HG2 VAL 45 1HG2 VAL 45 11.358 -6.716 -18.240 347 2HG2 VAL 45 3HG2 VAL 45 9.715 -7.275 -17.927 348 3HG2 VAL 45 2HG2 VAL 45 10.013 -5.578 -18.303 349 H ASP 46 HN ASP 46 10.945 -8.852 -17.410 350 HA ASP 46 HA ASP 46 9.363 -10.489 -15.648 351 1HB ASP 46 HB2 ASP 46 8.930 -10.040 -18.139 352 2HB ASP 46 HB1 ASP 46 10.189 -11.232 -18.448 353 H GLU 47 HN GLU 47 12.639 -10.588 -16.910 354 HA GLU 47 HA GLU 47 13.129 -13.349 -16.442 355 1HB GLU 47 HB2 GLU 47 14.630 -12.283 -17.906 356 2HB GLU 47 HB1 GLU 47 14.898 -10.943 -16.802 357 1HG GLU 47 HG2 GLU 47 15.716 -13.600 -15.823 358 2HG GLU 47 HG1 GLU 47 16.637 -12.954 -17.179 359 H LYS 48 HN LYS 48 14.031 -10.462 -14.542 360 HA LYS 48 HA LYS 48 15.135 -11.824 -12.357 361 1HB LYS 48 HB2 LYS 48 13.747 -9.138 -12.352 362 2HB LYS 48 HB1 LYS 48 14.850 -9.730 -11.119 363 1HG LYS 48 HG2 LYS 48 15.953 -9.744 -13.833 364 2HG LYS 48 HG1 LYS 48 15.549 -8.144 -13.210 365 1HD LYS 48 HD2 LYS 48 16.885 -8.613 -11.196 366 2HD LYS 48 HD1 LYS 48 17.317 -10.188 -11.866 367 1HE LYS 48 HE2 LYS 48 19.125 -8.678 -12.287 368 2HE LYS 48 HE1 LYS 48 18.317 -9.009 -13.819 369 1HZ LYS 48 HZ3 LYS 48 17.691 -6.620 -12.182 370 2HZ LYS 48 HZ2 LYS 48 18.909 -6.619 -13.355 371 3HZ LYS 48 HZ1 LYS 48 17.305 -6.905 -13.804 372 H LEU 49 HN LEU 49 11.827 -11.286 -13.258 373 HA LEU 49 HA LEU 49 10.593 -11.578 -10.740 374 1HB LEU 49 HB2 LEU 49 9.762 -11.257 -13.423 375 2HB LEU 49 HB1 LEU 49 8.986 -12.716 -12.839 376 HG LEU 49 HG LEU 49 8.254 -11.278 -10.823 377 1HD1 LEU 49 1HD1 LEU 49 9.798 -9.396 -11.457 378 2HD1 LEU 49 3HD1 LEU 49 8.704 -9.052 -12.798 379 3HD1 LEU 49 2HD1 LEU 49 8.127 -8.932 -11.135 380 1HD2 LEU 49 2HD2 LEU 49 7.116 -10.779 -13.572 381 2HD2 LEU 49 1HD2 LEU 49 6.725 -12.135 -12.513 382 3HD2 LEU 49 3HD2 LEU 49 6.283 -10.494 -12.044 383 H ARG 50 HN ARG 50 10.835 -13.962 -13.388 384 HA ARG 50 HA ARG 50 10.155 -16.185 -11.783 385 1HB ARG 50 HB2 ARG 50 10.151 -15.986 -14.352 386 2HB ARG 50 HB1 ARG 50 11.870 -16.344 -14.256 387 1HG ARG 50 HG2 ARG 50 11.532 -18.516 -13.736 388 2HG ARG 50 HG1 ARG 50 10.064 -18.183 -12.816 389 1HD ARG 50 HD2 ARG 50 8.729 -18.147 -14.718 390 2HD ARG 50 HD1 ARG 50 10.096 -17.853 -15.790 391 HE ARG 50 HE ARG 50 10.472 -20.111 -15.894 392 1HH1 ARG 50 1HH1 ARG 50 8.236 -19.467 -13.274 393 2HH1 ARG 50 2HH1 ARG 50 7.866 -21.138 -13.018 394 1HH2 ARG 50 1HH2 ARG 50 9.978 -22.310 -15.550 395 2HH2 ARG 50 2HH2 ARG 50 8.855 -22.752 -14.309 396 H ASP 51 HN ASP 51 13.182 -14.576 -12.534 397 HA ASP 51 HA ASP 51 15.022 -16.492 -11.682 398 1HB ASP 51 HB2 ASP 51 15.765 -14.505 -12.834 399 2HB ASP 51 HB1 ASP 51 15.142 -13.473 -11.552 400 H LEU 52 HN LEU 52 13.578 -13.829 -9.801 401 HA LEU 52 HA LEU 52 14.674 -14.778 -7.327 402 1HB LEU 52 HB2 LEU 52 13.997 -12.356 -8.068 403 2HB LEU 52 HB1 LEU 52 12.418 -12.823 -7.467 404 HG LEU 52 HG LEU 52 13.737 -13.488 -5.306 405 1HD1 LEU 52 1HD1 LEU 52 15.961 -13.165 -6.265 406 2HD1 LEU 52 3HD1 LEU 52 15.595 -11.463 -6.549 407 3HD1 LEU 52 2HD1 LEU 52 15.686 -12.083 -4.901 408 1HD2 LEU 52 3HD2 LEU 52 13.234 -10.615 -6.076 409 2HD2 LEU 52 2HD2 LEU 52 12.044 -11.741 -5.422 410 3HD2 LEU 52 1HD2 LEU 52 13.408 -11.226 -4.431 411 H TYR 53 HN TYR 53 11.890 -15.579 -9.152 412 HA TYR 53 HA TYR 53 10.105 -16.218 -7.047 413 1HB TYR 53 HB2 TYR 53 9.673 -15.969 -9.617 414 2HB TYR 53 HB1 TYR 53 10.084 -17.679 -9.670 415 HD1 TYR 53 HD1 TYR 53 7.565 -15.233 -8.802 416 HD2 TYR 53 HD2 TYR 53 8.688 -19.318 -8.405 417 HE1 TYR 53 HE1 TYR 53 5.260 -15.797 -8.159 418 HE2 TYR 53 HE2 TYR 53 6.385 -19.894 -7.762 419 HH TYR 53 HH TYR 53 4.294 -18.110 -6.610 420 H SER 54 HN SER 54 12.357 -18.219 -8.958 421 HA SER 54 HA SER 54 11.817 -20.658 -7.670 422 1HB SER 54 HB2 SER 54 14.079 -21.346 -8.537 423 2HB SER 54 HB1 SER 54 13.009 -20.667 -9.763 424 HG SER 54 HG SER 54 14.281 -18.975 -9.958 425 H LYS 55 HN LYS 55 14.328 -18.213 -7.045 426 HA LYS 55 HA LYS 55 15.571 -19.526 -4.892 427 1HB LYS 55 HB2 LYS 55 15.370 -16.568 -5.494 428 2HB LYS 55 HB1 LYS 55 16.458 -17.276 -4.309 429 1HG LYS 55 HG2 LYS 55 17.871 -18.104 -5.888 430 2HG LYS 55 HG1 LYS 55 16.592 -18.309 -7.086 431 1HD LYS 55 HD2 LYS 55 16.501 -15.776 -7.212 432 2HD LYS 55 HD1 LYS 55 18.001 -15.773 -6.283 433 1HE LYS 55 HE2 LYS 55 18.723 -17.492 -8.173 434 2HE LYS 55 HE1 LYS 55 17.494 -16.617 -9.085 435 1HZ LYS 55 HZ3 LYS 55 18.661 -14.548 -8.560 436 2HZ LYS 55 HZ2 LYS 55 19.861 -15.421 -7.747 437 3HZ LYS 55 HZ1 LYS 55 19.650 -15.624 -9.414 438 H SER 56 HN SER 56 12.966 -17.112 -4.963 439 HA SER 56 HA SER 56 12.664 -16.826 -2.184 440 1HB SER 56 HB2 SER 56 10.838 -16.308 -4.516 441 2HB SER 56 HB1 SER 56 10.278 -16.079 -2.860 442 HG SER 56 HG SER 56 11.576 -14.399 -2.633 443 H THR 57 HN THR 57 10.884 -18.954 -4.460 444 HA THR 57 HA THR 57 9.114 -20.039 -2.601 445 HB THR 57 HB THR 57 9.049 -22.027 -4.196 446 HG1 THR 57 HG1 THR 57 10.939 -22.053 -5.222 447 1HG2 THR 57 2HG2 THR 57 8.605 -19.241 -5.217 448 2HG2 THR 57 1HG2 THR 57 8.159 -20.686 -6.125 449 3HG2 THR 57 3HG2 THR 57 7.420 -20.368 -4.556 450 H ALA 58 HN ALA 58 12.453 -20.914 -3.312 451 HA ALA 58 HA ALA 58 12.412 -23.342 -1.799 452 1HB ALA 58 HB3 ALA 58 14.869 -23.269 -2.050 453 2HB ALA 58 HB2 ALA 58 14.018 -23.068 -3.581 454 3HB ALA 58 HB1 ALA 58 14.724 -21.667 -2.774 455 H ALA 59 HN ALA 59 13.956 -20.172 -1.192 456 HA ALA 59 HA ALA 59 14.734 -20.726 1.456 457 1HB ALA 59 HB3 ALA 59 15.033 -18.286 1.669 458 2HB ALA 59 HB1 ALA 59 14.222 -18.072 0.118 459 3HB ALA 59 HB2 ALA 59 15.758 -18.937 0.199 460 H MET 60 HN MET 60 11.972 -18.811 0.260 461 HA MET 60 HA MET 60 10.833 -18.279 2.765 462 1HB MET 60 HB2 MET 60 10.351 -17.278 0.395 463 2HB MET 60 HB1 MET 60 9.126 -18.536 0.322 464 1HG MET 60 HG2 MET 60 7.802 -17.018 1.273 465 2HG MET 60 HG1 MET 60 8.637 -17.450 2.765 466 1HE MET 60 HE1 MET 60 10.191 -16.146 4.007 467 2HE MET 60 HE3 MET 60 11.468 -15.990 2.801 468 3HE MET 60 HE2 MET 60 10.843 -14.556 3.614 469 H SER 61 HN SER 61 10.943 -21.269 1.111 470 HA SER 61 HA SER 61 8.430 -22.327 1.875 471 1HB SER 61 HB2 SER 61 10.768 -23.272 0.518 472 2HB SER 61 HB1 SER 61 10.314 -24.448 1.750 473 HG SER 61 HG SER 61 8.962 -23.653 -0.541 474 H THR 62 HN THR 62 11.279 -21.695 3.674 475 HA THR 62 HA THR 62 10.419 -23.468 5.851 476 HB THR 62 HB THR 62 12.678 -22.921 6.834 477 HG1 THR 62 HG1 THR 62 13.566 -21.251 5.911 478 1HG2 THR 62 2HG2 THR 62 12.334 -24.992 5.556 479 2HG2 THR 62 1HG2 THR 62 12.814 -24.139 4.088 480 3HG2 THR 62 3HG2 THR 62 13.970 -24.353 5.403 481 H TYR 63 HN TYR 63 11.498 -20.126 5.247 482 HA TYR 63 HA TYR 63 10.889 -19.134 7.799 483 1HB TYR 63 HB2 TYR 63 12.391 -18.083 6.019 484 2HB TYR 63 HB1 TYR 63 10.911 -17.490 5.274 485 HD1 TYR 63 HD1 TYR 63 10.066 -15.426 5.924 486 HD2 TYR 63 HD2 TYR 63 12.705 -17.489 8.548 487 HE1 TYR 63 HE1 TYR 63 10.086 -13.479 7.425 488 HE2 TYR 63 HE2 TYR 63 12.731 -15.547 10.056 489 HH TYR 63 HH TYR 63 10.885 -13.491 10.446 490 H THR 64 HN THR 64 8.822 -20.034 5.207 491 HA THR 64 HA THR 64 6.760 -18.136 5.712 492 HB THR 64 HB THR 64 6.931 -20.697 4.182 493 HG1 THR 64 HG1 THR 64 6.065 -18.064 3.579 494 1HG2 THR 64 1HG2 THR 64 4.352 -19.422 5.026 495 2HG2 THR 64 3HG2 THR 64 4.501 -20.357 3.539 496 3HG2 THR 64 2HG2 THR 64 4.818 -21.120 5.096 497 H GLY 65 HN GLY 65 6.959 -21.604 6.511 498 1HA GLY 65 HA1 GLY 65 6.052 -22.783 8.268 499 2HA GLY 65 HA2 GLY 65 4.784 -21.562 8.316 500 H ILE 66 HN ILE 66 8.244 -21.018 8.702 501 HA ILE 66 HA ILE 66 8.313 -20.944 11.527 502 HB ILE 66 HB ILE 66 10.129 -19.682 9.470 503 1HG1 ILE 66 2HG1 ILE 66 10.744 -21.970 11.331 504 2HG1 ILE 66 1HG1 ILE 66 9.943 -22.237 9.786 505 1HG2 ILE 66 3HG2 ILE 66 10.297 -19.664 12.467 506 2HG2 ILE 66 2HG2 ILE 66 11.736 -19.528 11.458 507 3HG2 ILE 66 1HG2 ILE 66 10.461 -18.316 11.341 508 1HD1 ILE 66 2HD1 ILE 66 11.983 -20.845 8.877 509 2HD1 ILE 66 1HD1 ILE 66 12.736 -21.426 10.363 510 3HD1 ILE 66 3HD1 ILE 66 12.107 -22.577 9.183 511 H PHE 67 HN PHE 67 8.397 -18.243 9.190 512 HA PHE 67 HA PHE 67 8.133 -16.140 10.965 513 1HB PHE 67 HB2 PHE 67 8.590 -15.826 8.570 514 2HB PHE 67 HB1 PHE 67 6.940 -16.306 8.189 515 HD1 PHE 67 HD1 PHE 67 5.301 -14.690 7.992 516 HD2 PHE 67 HD2 PHE 67 8.848 -13.795 10.168 517 HE1 PHE 67 HE1 PHE 67 4.566 -12.353 8.225 518 HE2 PHE 67 HE2 PHE 67 8.120 -11.458 10.404 519 HZ PHE 67 HZ PHE 67 5.976 -10.734 9.431 520 H THR 68 HN THR 68 5.480 -17.792 9.248 521 HA THR 68 HA THR 68 3.411 -16.396 10.546 522 HB THR 68 HB THR 68 1.915 -18.146 9.675 523 HG1 THR 68 HG1 THR 68 2.899 -20.032 9.734 524 1HG2 THR 68 1HG2 THR 68 4.017 -17.194 7.754 525 2HG2 THR 68 3HG2 THR 68 2.558 -18.053 7.261 526 3HG2 THR 68 2HG2 THR 68 2.431 -16.491 8.068 527 H ASP 69 HN ASP 69 5.399 -18.974 11.616 528 HA ASP 69 HA ASP 69 3.696 -20.290 13.407 529 1HB ASP 69 HB2 ASP 69 6.344 -20.531 12.751 530 2HB ASP 69 HB1 ASP 69 6.445 -19.903 14.393 531 H GLN 70 HN GLN 70 5.993 -17.648 14.131 532 HA GLN 70 HA GLN 70 4.938 -17.177 16.732 533 1HB GLN 70 HB2 GLN 70 6.796 -15.610 14.951 534 2HB GLN 70 HB1 GLN 70 6.294 -15.014 16.528 535 1HG GLN 70 HG2 GLN 70 7.131 -17.369 17.329 536 2HG GLN 70 HG1 GLN 70 8.066 -17.300 15.837 537 1HE2 GLN 70 1HE2 GLN 70 7.835 -16.279 19.066 538 2HE2 GLN 70 2HE2 GLN 70 9.195 -15.214 19.077 539 H VAL 71 HN VAL 71 4.054 -16.079 13.573 540 HA VAL 71 HA VAL 71 2.695 -13.694 14.313 541 HB VAL 71 HB VAL 71 2.310 -15.491 11.905 542 1HG1 VAL 71 1HG1 VAL 71 1.117 -12.817 12.583 543 2HG1 VAL 71 3HG1 VAL 71 1.241 -13.405 10.924 544 3HG1 VAL 71 2HG1 VAL 71 0.290 -14.300 12.109 545 1HG2 VAL 71 1HG2 VAL 71 4.518 -14.150 12.374 546 2HG2 VAL 71 3HG2 VAL 71 3.813 -14.185 10.759 547 3HG2 VAL 71 2HG2 VAL 71 3.559 -12.786 11.801 548 H LEU 72 HN LEU 72 1.559 -16.960 13.512 549 HA LEU 72 HA LEU 72 -1.129 -16.618 14.205 550 1HB LEU 72 HB2 LEU 72 0.695 -18.921 13.820 551 2HB LEU 72 HB1 LEU 72 -0.729 -19.231 14.794 552 HG LEU 72 HG LEU 72 -1.130 -19.841 12.478 553 1HD1 LEU 72 3HD1 LEU 72 -2.947 -18.844 13.905 554 2HD1 LEU 72 2HD1 LEU 72 -2.669 -17.324 13.057 555 3HD1 LEU 72 1HD1 LEU 72 -3.204 -18.746 12.163 556 1HD2 LEU 72 2HD2 LEU 72 -0.488 -16.958 11.870 557 2HD2 LEU 72 1HD2 LEU 72 0.432 -18.376 11.366 558 3HD2 LEU 72 3HD2 LEU 72 -1.188 -18.102 10.724 559 H SER 73 HN SER 73 1.743 -17.277 16.099 560 HA SER 73 HA SER 73 0.543 -18.079 18.494 561 1HB SER 73 HB2 SER 73 3.071 -17.962 17.799 562 2HB SER 73 HB1 SER 73 2.998 -16.358 18.530 563 HG SER 73 HG SER 73 3.001 -18.827 19.713 564 H VAL 74 HN VAL 74 0.993 -14.884 17.125 565 HA VAL 74 HA VAL 74 0.285 -13.467 19.506 566 HB VAL 74 HB VAL 74 0.429 -11.503 18.304 567 1HG1 VAL 74 2HG1 VAL 74 2.508 -12.933 18.108 568 2HG1 VAL 74 1HG1 VAL 74 2.013 -13.245 16.445 569 3HG1 VAL 74 3HG1 VAL 74 2.356 -11.597 16.967 570 1HG2 VAL 74 3HG2 VAL 74 -0.847 -13.035 16.128 571 2HG2 VAL 74 2HG2 VAL 74 -1.134 -11.385 16.679 572 3HG2 VAL 74 1HG2 VAL 74 0.242 -11.739 15.636 573 H LEU 75 HN LEU 75 -1.519 -15.179 17.141 574 HA LEU 75 HA LEU 75 -3.959 -13.757 17.251 575 1HB LEU 75 HB2 LEU 75 -3.014 -15.928 15.845 576 2HB LEU 75 HB1 LEU 75 -4.212 -16.648 16.902 577 HG LEU 75 HG LEU 75 -5.702 -14.651 15.991 578 1HD1 LEU 75 2HD1 LEU 75 -3.694 -15.107 13.789 579 2HD1 LEU 75 1HD1 LEU 75 -5.221 -14.243 13.614 580 3HD1 LEU 75 3HD1 LEU 75 -3.964 -13.605 14.673 581 1HD2 LEU 75 2HD2 LEU 75 -6.193 -17.046 15.799 582 2HD2 LEU 75 1HD2 LEU 75 -6.590 -16.174 14.318 583 3HD2 LEU 75 3HD2 LEU 75 -5.122 -17.148 14.402 584 H LYS 76 HN LYS 76 -2.723 -16.533 18.993 585 HA LYS 76 HA LYS 76 -4.999 -16.844 20.688 586 1HB LYS 76 HB2 LYS 76 -2.173 -17.873 20.996 587 2HB LYS 76 HB1 LYS 76 -3.538 -18.376 21.982 588 1HG LYS 76 HG2 LYS 76 -4.571 -19.478 20.188 589 2HG LYS 76 HG1 LYS 76 -3.549 -18.673 18.995 590 1HD LYS 76 HD2 LYS 76 -2.364 -20.469 21.084 591 2HD LYS 76 HD1 LYS 76 -3.049 -21.132 19.601 592 1HE LYS 76 HE2 LYS 76 -1.032 -20.793 18.701 593 2HE LYS 76 HE1 LYS 76 -1.467 -19.085 18.677 594 1HZ LYS 76 HZ3 LYS 76 -0.183 -20.323 21.037 595 2HZ LYS 76 HZ2 LYS 76 0.730 -19.718 19.749 596 3HZ LYS 76 HZ1 LYS 76 -0.278 -18.683 20.629 597 H GLY 77 HN GLY 77 -1.993 -15.037 20.912 598 1HA GLY 77 HA1 GLY 77 -1.195 -13.556 22.466 599 2HA GLY 77 HA2 GLY 77 -2.052 -14.492 23.680 600 H GLU 78 HN GLU 78 -2.398 -11.884 21.316 601 HA GLU 78 HA GLU 78 -4.964 -11.063 22.357 602 1HB GLU 78 HB2 GLU 78 -2.804 -10.237 23.809 603 2HB GLU 78 HB1 GLU 78 -2.997 -8.897 22.690 604 1HG GLU 78 HG2 GLU 78 -4.229 -8.381 24.647 605 2HG GLU 78 HG1 GLU 78 -5.391 -8.766 23.379 606 H GLU 79 HN GLU 79 -4.255 -11.726 19.736 607 HA GLU 79 HA GLU 79 -3.391 -9.649 18.097 608 1HB GLU 79 HB2 GLU 79 -4.441 -10.825 16.262 609 2HB GLU 79 HB1 GLU 79 -3.694 -11.984 17.350 610 1HG GLU 79 HG2 GLU 79 -5.619 -13.081 17.339 611 2HG GLU 79 HG1 GLU 79 -6.293 -11.756 18.287 No H/Q in entry = 611 Start of MODEL 6 1 H1 THR 1 HT1 THR 1 -4.593 6.020 22.958 2 H2 THR 1 HT3 THR 1 -5.925 5.238 23.703 3 H3 THR 1 HT2 THR 1 -4.534 5.628 24.628 4 HA THR 1 HA THR 1 -4.504 3.344 24.180 5 HB THR 1 HB THR 1 -6.034 3.493 22.223 6 HG1 THR 1 HG1 THR 1 -5.136 1.544 22.319 7 1HG2 THR 1 1HG2 THR 1 -4.929 5.321 21.006 8 2HG2 THR 1 3HG2 THR 1 -3.584 4.239 20.643 9 3HG2 THR 1 2HG2 THR 1 -5.192 3.892 20.006 10 H GLN 2 HN GLN 2 -2.550 2.268 23.916 11 HA GLN 2 HA GLN 2 -0.311 1.983 23.698 12 1HB GLN 2 HB2 GLN 2 -0.858 2.787 21.317 13 2HB GLN 2 HB1 GLN 2 -0.203 4.338 21.826 14 1HG GLN 2 HG2 GLN 2 1.419 1.875 22.241 15 2HG GLN 2 HG1 GLN 2 1.299 2.566 20.625 16 1HE2 GLN 2 1HE2 GLN 2 2.706 2.833 23.733 17 2HE2 GLN 2 2HE2 GLN 2 3.645 4.252 23.436 18 H GLN 3 HN GLN 3 0.650 2.445 25.561 19 HA GLN 3 HA GLN 3 1.353 5.252 26.110 20 1HB GLN 3 HB2 GLN 3 -0.406 3.835 27.611 21 2HB GLN 3 HB1 GLN 3 1.098 3.417 28.417 22 1HG GLN 3 HG2 GLN 3 1.071 6.224 27.967 23 2HG GLN 3 HG1 GLN 3 -0.466 5.754 28.690 24 1HE2 GLN 3 1HE2 GLN 3 2.645 6.665 29.339 25 2HE2 GLN 3 2HE2 GLN 3 2.778 6.074 30.956 26 HA PRO 4 HA PRO 4 5.579 3.886 25.976 27 1HB PRO 4 HB2 PRO 4 6.544 5.663 27.903 28 2HB PRO 4 HB1 PRO 4 6.407 5.989 26.175 29 1HG PRO 4 HG2 PRO 4 4.568 6.743 28.400 30 2HG PRO 4 HG1 PRO 4 5.015 7.660 26.948 31 1HD PRO 4 HD2 PRO 4 2.646 6.434 27.138 32 2HD PRO 4 HD1 PRO 4 3.532 6.485 25.600 33 H GLN 5 HN GLN 5 3.860 4.234 29.037 34 HA GLN 5 HA GLN 5 5.744 2.761 30.599 35 1HB GLN 5 HB2 GLN 5 4.313 4.293 31.745 36 2HB GLN 5 HB1 GLN 5 2.871 3.563 31.058 37 1HG GLN 5 HG2 GLN 5 4.543 1.748 32.648 38 2HG GLN 5 HG1 GLN 5 3.810 3.076 33.544 39 1HE2 GLN 5 1HE2 GLN 5 3.357 -0.017 32.389 40 2HE2 GLN 5 2HE2 GLN 5 1.640 -0.113 32.546 41 H GLN 6 HN GLN 6 2.596 1.965 29.133 42 HA GLN 6 HA GLN 6 2.584 -0.748 29.959 43 1HB GLN 6 HB2 GLN 6 1.128 0.499 27.620 44 2HB GLN 6 HB1 GLN 6 0.738 -1.031 28.394 45 1HG GLN 6 HG2 GLN 6 0.229 0.183 30.476 46 2HG GLN 6 HG1 GLN 6 0.546 1.703 29.640 47 1HE2 GLN 6 1HE2 GLN 6 -0.708 1.752 27.419 48 2HE2 GLN 6 2HE2 GLN 6 -2.389 1.379 27.554 49 H ASP 7 HN ASP 7 3.355 0.779 26.831 50 HA ASP 7 HA ASP 7 4.144 -1.656 25.581 51 1HB ASP 7 HB2 ASP 7 4.605 1.240 24.846 52 2HB ASP 7 HB1 ASP 7 5.112 -0.108 23.833 53 H GLU 8 HN GLU 8 5.807 -2.776 26.398 54 HA GLU 8 HA GLU 8 8.043 -1.588 27.697 55 1HB GLU 8 HB2 GLU 8 7.720 -4.399 26.624 56 2HB GLU 8 HB1 GLU 8 8.973 -3.865 27.735 57 1HG GLU 8 HG2 GLU 8 6.016 -4.021 28.263 58 2HG GLU 8 HG1 GLU 8 7.286 -5.016 28.972 59 H MET 9 HN MET 9 9.343 -0.291 26.539 60 HA MET 9 HA MET 9 9.963 -0.680 23.793 61 1HB MET 9 HB2 MET 9 10.701 1.221 25.914 62 2HB MET 9 HB1 MET 9 11.953 0.965 24.707 63 1HG MET 9 HG2 MET 9 10.809 2.032 23.098 64 2HG MET 9 HG1 MET 9 9.254 1.397 23.632 65 1HE MET 9 HE3 MET 9 8.428 2.232 26.254 66 2HE MET 9 HE2 MET 9 7.922 3.915 26.113 67 3HE MET 9 HE1 MET 9 7.518 2.764 24.840 68 HA PRO 10 HA PRO 10 13.333 -3.523 23.883 69 1HB PRO 10 HB2 PRO 10 15.007 -2.474 21.994 70 2HB PRO 10 HB1 PRO 10 13.523 -3.352 21.608 71 1HG PRO 10 HG2 PRO 10 14.005 -0.401 21.719 72 2HG PRO 10 HG1 PRO 10 13.089 -1.343 20.528 73 1HD PRO 10 HD2 PRO 10 11.875 0.043 22.494 74 2HD PRO 10 HD1 PRO 10 11.229 -1.496 21.891 75 H SER 11 HN SER 11 15.077 -3.827 25.136 76 HA SER 11 HA SER 11 16.209 -1.638 26.578 77 1HB SER 11 HB2 SER 11 16.554 -4.600 26.584 78 2HB SER 11 HB1 SER 11 17.836 -3.621 27.296 79 HG SER 11 HG SER 11 16.126 -4.271 28.767 80 HA PRO 12 HA PRO 12 20.225 -2.593 24.095 81 1HB PRO 12 HB2 PRO 12 20.119 -4.306 22.009 82 2HB PRO 12 HB1 PRO 12 20.395 -4.852 23.667 83 1HG PRO 12 HG2 PRO 12 17.864 -4.858 22.066 84 2HG PRO 12 HG1 PRO 12 18.525 -6.123 23.120 85 1HD PRO 12 HD2 PRO 12 16.558 -4.419 23.904 86 2HD PRO 12 HD1 PRO 12 17.739 -5.116 25.030 87 H THR 13 HN THR 13 20.989 -2.252 21.671 88 HA THR 13 HA THR 13 19.544 0.008 20.698 89 HB THR 13 HB THR 13 21.796 -1.455 19.309 90 HG1 THR 13 HG1 THR 13 22.893 -0.890 21.002 91 1HG2 THR 13 1HG2 THR 13 20.380 0.586 18.304 92 2HG2 THR 13 3HG2 THR 13 21.591 1.478 19.225 93 3HG2 THR 13 2HG2 THR 13 22.096 0.333 17.984 94 H PHE 14 HN PHE 14 17.511 -0.634 20.049 95 HA PHE 14 HA PHE 14 17.402 -2.413 17.700 96 1HB PHE 14 HB2 PHE 14 16.247 -3.364 19.653 97 2HB PHE 14 HB1 PHE 14 15.255 -1.916 19.778 98 HD1 PHE 14 HD1 PHE 14 13.293 -1.680 18.512 99 HD2 PHE 14 HD2 PHE 14 16.025 -4.819 17.617 100 HE1 PHE 14 HE1 PHE 14 11.637 -2.685 16.996 101 HE2 PHE 14 HE2 PHE 14 14.372 -5.828 16.099 102 HZ PHE 14 HZ PHE 14 12.175 -4.761 15.786 103 H LEU 15 HN LEU 15 15.220 0.012 19.167 104 HA LEU 15 HA LEU 15 14.212 0.929 16.701 105 1HB LEU 15 HB2 LEU 15 14.274 2.259 19.411 106 2HB LEU 15 HB1 LEU 15 13.381 2.880 18.037 107 HG LEU 15 HG LEU 15 12.889 0.140 19.191 108 1HD1 LEU 15 1HD1 LEU 15 12.499 1.821 20.923 109 2HD1 LEU 15 3HD1 LEU 15 11.443 2.708 19.823 110 3HD1 LEU 15 2HD1 LEU 15 10.990 1.094 20.373 111 1HD2 LEU 15 3HD2 LEU 15 11.287 1.932 17.370 112 2HD2 LEU 15 2HD2 LEU 15 12.099 0.431 16.925 113 3HD2 LEU 15 1HD2 LEU 15 10.727 0.396 18.031 114 H THR 16 HN THR 16 16.641 2.335 18.895 115 HA THR 16 HA THR 16 17.273 4.599 17.388 116 HB THR 16 HB THR 16 19.522 4.439 18.588 117 HG1 THR 16 HG1 THR 16 19.912 2.769 19.831 118 1HG2 THR 16 3HG2 THR 16 17.664 5.715 19.536 119 2HG2 THR 16 2HG2 THR 16 17.074 4.252 20.326 120 3HG2 THR 16 1HG2 THR 16 18.638 4.930 20.780 121 H GLN 17 HN GLN 17 18.438 1.278 17.135 122 HA GLN 17 HA GLN 17 20.596 1.733 15.391 123 1HB GLN 17 HB2 GLN 17 19.658 -0.447 16.669 124 2HB GLN 17 HB1 GLN 17 19.042 -0.773 15.056 125 1HG GLN 17 HG2 GLN 17 21.144 -0.985 14.147 126 2HG GLN 17 HG1 GLN 17 21.903 -0.016 15.407 127 1HE2 GLN 17 1HE2 GLN 17 20.315 -3.117 14.808 128 2HE2 GLN 17 2HE2 GLN 17 21.187 -3.995 16.013 129 H VAL 18 HN VAL 18 17.275 0.657 14.661 130 HA VAL 18 HA VAL 18 17.097 0.383 12.038 131 HB VAL 18 HB VAL 18 15.217 2.180 13.579 132 1HG1 VAL 18 3HG1 VAL 18 14.969 0.789 10.925 133 2HG1 VAL 18 2HG1 VAL 18 13.561 1.291 11.861 134 3HG1 VAL 18 1HG1 VAL 18 14.721 2.494 11.300 135 1HG2 VAL 18 2HG2 VAL 18 15.647 -0.727 13.541 136 2HG2 VAL 18 1HG2 VAL 18 14.895 0.295 14.764 137 3HG2 VAL 18 3HG2 VAL 18 13.968 -0.221 13.356 138 H LYS 19 HN LYS 19 17.074 3.652 13.484 139 HA LYS 19 HA LYS 19 16.909 5.161 11.187 140 1HB LYS 19 HB2 LYS 19 18.379 5.746 13.756 141 2HB LYS 19 HB1 LYS 19 18.135 6.939 12.489 142 1HG LYS 19 HG2 LYS 19 16.231 7.471 13.488 143 2HG LYS 19 HG1 LYS 19 15.600 5.909 12.965 144 1HD LYS 19 HD2 LYS 19 16.358 4.887 15.041 145 2HD LYS 19 HD1 LYS 19 17.057 6.422 15.559 146 1HE LYS 19 HE2 LYS 19 15.027 7.340 16.046 147 2HE LYS 19 HE1 LYS 19 14.184 6.402 14.813 148 1HZ LYS 19 HZ1 LYS 19 15.205 5.295 17.375 149 2HZ LYS 19 HZ3 LYS 19 13.597 5.738 17.088 150 3HZ LYS 19 HZ2 LYS 19 14.293 4.467 16.215 151 H GLU 20 HN GLU 20 19.912 4.120 12.803 152 HA GLU 20 HA GLU 20 21.652 5.207 10.867 153 1HB GLU 20 HB2 GLU 20 22.224 2.826 12.632 154 2HB GLU 20 HB1 GLU 20 23.397 3.916 11.909 155 1HG GLU 20 HG2 GLU 20 21.540 4.405 14.206 156 2HG GLU 20 HG1 GLU 20 23.294 4.565 14.141 157 H SER 21 HN SER 21 19.894 2.216 11.041 158 HA SER 21 HA SER 21 21.317 0.733 9.109 159 1HB SER 21 HB2 SER 21 19.427 -0.009 10.761 160 2HB SER 21 HB1 SER 21 18.346 0.445 9.445 161 HG SER 21 HG SER 21 19.066 -1.185 8.264 162 H LEU 22 HN LEU 22 18.612 2.999 8.856 163 HA LEU 22 HA LEU 22 18.211 2.654 6.055 164 1HB LEU 22 HB2 LEU 22 17.428 4.942 7.864 165 2HB LEU 22 HB1 LEU 22 16.849 4.706 6.227 166 HG LEU 22 HG LEU 22 16.393 2.405 7.994 167 1HD1 LEU 22 2HD1 LEU 22 16.088 4.238 9.599 168 2HD1 LEU 22 1HD1 LEU 22 14.921 4.984 8.508 169 3HD1 LEU 22 3HD1 LEU 22 14.574 3.414 9.232 170 1HD2 LEU 22 1HD2 LEU 22 15.490 2.599 5.721 171 2HD2 LEU 22 3HD2 LEU 22 14.211 2.462 6.927 172 3HD2 LEU 22 2HD2 LEU 22 14.583 4.030 6.210 173 H SER 23 HN SER 23 20.161 4.843 8.021 174 HA SER 23 HA SER 23 20.861 6.695 6.045 175 1HB SER 23 HB2 SER 23 22.552 5.759 8.379 176 2HB SER 23 HB1 SER 23 22.779 7.253 7.470 177 HG SER 23 HG SER 23 20.887 6.608 9.396 178 H SER 24 HN SER 24 22.638 3.801 7.127 179 HA SER 24 HA SER 24 24.646 3.945 5.142 180 1HB SER 24 HB2 SER 24 23.640 1.528 6.667 181 2HB SER 24 HB1 SER 24 25.153 1.615 5.765 182 HG SER 24 HG SER 24 24.482 2.700 8.229 183 H TYR 25 HN TYR 25 21.355 2.966 5.001 184 HA TYR 25 HA TYR 25 21.591 1.155 2.796 185 1HB TYR 25 HB2 TYR 25 19.670 1.360 4.532 186 2HB TYR 25 HB1 TYR 25 19.074 2.647 3.490 187 HD1 TYR 25 HD1 TYR 25 19.580 -0.952 3.834 188 HD2 TYR 25 HD2 TYR 25 18.246 2.148 1.244 189 HE1 TYR 25 HE1 TYR 25 18.490 -2.627 2.401 190 HE2 TYR 25 HE2 TYR 25 17.151 0.483 -0.196 191 HH TYR 25 HH TYR 25 17.760 -2.405 -0.461 192 H TRP 26 HN TRP 26 20.793 4.593 3.155 193 HA TRP 26 HA TRP 26 20.141 5.085 0.457 194 1HB TRP 26 HB2 TRP 26 19.525 6.657 2.211 195 2HB TRP 26 HB1 TRP 26 21.221 6.966 2.568 196 HD1 TRP 26 HD1 TRP 26 21.965 9.217 1.633 197 HE1 TRP 26 HE1 TRP 26 21.419 10.637 -0.443 198 HE3 TRP 26 HE3 TRP 26 18.526 6.143 -0.575 199 HZ2 TRP 26 HZ2 TRP 26 19.753 10.475 -2.717 200 HZ3 TRP 26 HZ3 TRP 26 17.505 6.849 -2.699 201 HH2 TRP 26 HH2 TRP 26 18.107 8.972 -3.746 202 H GLU 27 HN GLU 27 23.194 5.100 2.198 203 HA GLU 27 HA GLU 27 24.955 6.362 0.582 204 1HB GLU 27 HB2 GLU 27 25.590 5.215 2.663 205 2HB GLU 27 HB1 GLU 27 25.394 3.659 1.868 206 1HG GLU 27 HG2 GLU 27 27.256 5.594 0.620 207 2HG GLU 27 HG1 GLU 27 27.751 4.854 2.142 208 H SER 28 HN SER 28 24.168 2.906 0.234 209 HA SER 28 HA SER 28 25.250 2.880 -2.459 210 1HB SER 28 HB2 SER 28 24.067 0.707 -0.721 211 2HB SER 28 HB1 SER 28 24.657 0.436 -2.360 212 HG SER 28 HG SER 28 26.068 0.941 -0.015 213 H ALA 29 HN ALA 29 22.231 3.501 -1.018 214 HA ALA 29 HA ALA 29 20.447 2.318 -2.840 215 1HB ALA 29 HB1 ALA 29 19.724 3.281 -0.715 216 2HB ALA 29 HB3 ALA 29 20.096 4.896 -1.318 217 3HB ALA 29 HB2 ALA 29 18.812 3.948 -2.068 218 H LYS 30 HN LYS 30 22.321 5.295 -3.052 219 HA LYS 30 HA LYS 30 21.009 6.592 -5.116 220 1HB LYS 30 HB2 LYS 30 23.902 6.484 -4.323 221 2HB LYS 30 HB1 LYS 30 23.401 7.399 -5.738 222 1HG LYS 30 HG2 LYS 30 23.199 9.082 -4.275 223 2HG LYS 30 HG1 LYS 30 21.648 8.327 -3.904 224 1HD LYS 30 HD2 LYS 30 22.330 8.110 -1.797 225 2HD LYS 30 HD1 LYS 30 23.545 6.962 -2.360 226 1HE LYS 30 HE2 LYS 30 24.985 9.011 -2.868 227 2HE LYS 30 HE1 LYS 30 23.832 9.914 -1.887 228 1HZ LYS 30 HZ1 LYS 30 24.302 8.382 -0.046 229 2HZ LYS 30 HZ3 LYS 30 25.470 7.604 -0.994 230 3HZ LYS 30 HZ2 LYS 30 25.685 9.219 -0.545 231 H THR 31 HN THR 31 23.536 4.106 -5.382 232 HA THR 31 HA THR 31 23.864 3.983 -8.111 233 HB THR 31 HB THR 31 23.682 1.507 -6.393 234 HG1 THR 31 HG1 THR 31 25.138 2.410 -5.192 235 1HG2 THR 31 2HG2 THR 31 25.471 2.223 -8.704 236 2HG2 THR 31 1HG2 THR 31 25.576 0.747 -7.744 237 3HG2 THR 31 3HG2 THR 31 24.142 1.062 -8.721 238 H ALA 32 HN ALA 32 21.293 2.665 -6.107 239 HA ALA 32 HA ALA 32 19.974 1.157 -8.094 240 1HB ALA 32 HB3 ALA 32 18.454 2.503 -5.899 241 2HB ALA 32 HB2 ALA 32 18.254 0.887 -6.575 242 3HB ALA 32 HB1 ALA 32 19.617 1.235 -5.513 243 H ALA 33 HN ALA 33 19.634 4.547 -7.053 244 HA ALA 33 HA ALA 33 17.434 5.315 -8.528 245 1HB ALA 33 HB1 ALA 33 18.808 6.712 -6.900 246 2HB ALA 33 HB3 ALA 33 19.857 7.072 -8.271 247 3HB ALA 33 HB2 ALA 33 18.159 7.545 -8.313 248 H GLN 34 HN GLN 34 20.820 5.480 -9.629 249 HA GLN 34 HA GLN 34 20.158 6.197 -12.283 250 1HB GLN 34 HB2 GLN 34 22.423 6.461 -11.187 251 2HB GLN 34 HB1 GLN 34 22.649 4.730 -11.394 252 1HG GLN 34 HG2 GLN 34 23.743 6.117 -13.132 253 2HG GLN 34 HG1 GLN 34 22.603 4.934 -13.769 254 1HE2 GLN 34 1HE2 GLN 34 20.949 5.616 -15.005 255 2HE2 GLN 34 2HE2 GLN 34 20.587 7.272 -15.337 256 H ASN 35 HN ASN 35 20.572 3.126 -10.624 257 HA ASN 35 HA ASN 35 20.560 1.446 -12.887 258 1HB ASN 35 HB2 ASN 35 21.067 0.894 -10.386 259 2HB ASN 35 HB1 ASN 35 19.334 0.594 -10.282 260 1HD2 ASN 35 1HD2 ASN 35 18.434 -1.121 -11.460 261 2HD2 ASN 35 2HD2 ASN 35 19.411 -2.409 -12.070 262 H LEU 36 HN LEU 36 18.027 3.101 -11.219 263 HA LEU 36 HA LEU 36 15.775 1.657 -12.030 264 1HB LEU 36 HB2 LEU 36 16.034 3.775 -10.468 265 2HB LEU 36 HB1 LEU 36 15.716 4.651 -11.953 266 HG LEU 36 HG LEU 36 13.833 2.470 -11.207 267 1HD1 LEU 36 3HD1 LEU 36 14.161 3.656 -9.099 268 2HD1 LEU 36 2HD1 LEU 36 13.823 5.188 -9.905 269 3HD1 LEU 36 1HD1 LEU 36 12.559 3.967 -9.767 270 1HD2 LEU 36 1HD2 LEU 36 13.635 3.745 -13.319 271 2HD2 LEU 36 3HD2 LEU 36 12.227 3.916 -12.271 272 3HD2 LEU 36 2HD2 LEU 36 13.412 5.218 -12.375 273 H TYR 37 HN TYR 37 17.588 4.286 -13.500 274 HA TYR 37 HA TYR 37 16.091 4.470 -15.903 275 1HB TYR 37 HB2 TYR 37 18.787 5.384 -14.993 276 2HB TYR 37 HB1 TYR 37 18.472 5.355 -16.723 277 HD1 TYR 37 HD1 TYR 37 16.514 6.690 -17.616 278 HD2 TYR 37 HD2 TYR 37 17.968 7.125 -13.640 279 HE1 TYR 37 HE1 TYR 37 15.388 8.869 -17.447 280 HE2 TYR 37 HE2 TYR 37 16.843 9.303 -13.461 281 HH TYR 37 HH TYR 37 16.053 11.141 -15.503 282 H GLU 38 HN GLU 38 18.920 2.626 -14.890 283 HA GLU 38 HA GLU 38 19.641 1.491 -17.335 284 1HB GLU 38 HB2 GLU 38 20.118 0.833 -14.492 285 2HB GLU 38 HB1 GLU 38 20.357 -0.478 -15.637 286 1HG GLU 38 HG2 GLU 38 22.457 0.445 -15.497 287 2HG GLU 38 HG1 GLU 38 21.798 1.230 -16.931 288 H LYS 39 HN LYS 39 17.623 0.063 -14.791 289 HA LYS 39 HA LYS 39 16.941 -2.288 -16.104 290 1HB LYS 39 HB2 LYS 39 16.280 -1.031 -13.683 291 2HB LYS 39 HB1 LYS 39 14.746 -1.336 -14.485 292 1HG LYS 39 HG2 LYS 39 16.643 -3.583 -14.505 293 2HG LYS 39 HG1 LYS 39 16.027 -3.118 -12.918 294 1HD LYS 39 HD2 LYS 39 13.829 -3.115 -14.696 295 2HD LYS 39 HD1 LYS 39 14.730 -4.604 -14.989 296 1HE LYS 39 HE2 LYS 39 14.717 -4.945 -12.480 297 2HE LYS 39 HE1 LYS 39 13.550 -3.627 -12.399 298 1HZ LYS 39 HZ2 LYS 39 13.190 -6.142 -13.937 299 2HZ LYS 39 HZ1 LYS 39 12.471 -5.794 -12.447 300 3HZ LYS 39 HZ3 LYS 39 12.064 -4.886 -13.815 301 H THR 40 HN THR 40 15.942 0.909 -16.846 302 HA THR 40 HA THR 40 13.386 0.262 -17.959 303 HB THR 40 HB THR 40 15.173 2.623 -18.583 304 HG1 THR 40 HG1 THR 40 14.773 2.899 -16.501 305 1HG2 THR 40 1HG2 THR 40 12.210 2.250 -18.940 306 2HG2 THR 40 3HG2 THR 40 13.057 3.790 -19.077 307 3HG2 THR 40 2HG2 THR 40 13.416 2.483 -20.206 308 H TYR 41 HN TYR 41 16.612 0.753 -19.283 309 HA TYR 41 HA TYR 41 15.948 0.277 -21.993 310 1HB TYR 41 HB2 TYR 41 18.682 -0.341 -20.931 311 2HB TYR 41 HB1 TYR 41 18.224 0.409 -22.453 312 HD1 TYR 41 HD1 TYR 41 19.922 1.069 -19.608 313 HD2 TYR 41 HD2 TYR 41 16.701 2.703 -21.857 314 HE1 TYR 41 HE1 TYR 41 20.373 3.280 -18.635 315 HE2 TYR 41 HE2 TYR 41 17.144 4.920 -20.890 316 HH TYR 41 HH TYR 41 19.694 5.930 -19.690 317 H LEU 42 HN LEU 42 17.271 -1.855 -19.465 318 HA LEU 42 HA LEU 42 17.339 -4.144 -21.204 319 1HB LEU 42 HB2 LEU 42 17.812 -3.766 -18.258 320 2HB LEU 42 HB1 LEU 42 17.833 -5.351 -19.006 321 HG LEU 42 HG LEU 42 19.577 -4.112 -20.623 322 1HD1 LEU 42 2HD1 LEU 42 19.756 -2.673 -17.984 323 2HD1 LEU 42 1HD1 LEU 42 21.060 -2.718 -19.171 324 3HD1 LEU 42 3HD1 LEU 42 19.518 -1.969 -19.583 325 1HD2 LEU 42 1HD2 LEU 42 19.954 -6.188 -19.387 326 2HD2 LEU 42 3HD2 LEU 42 21.348 -5.113 -19.284 327 3HD2 LEU 42 2HD2 LEU 42 20.246 -5.261 -17.916 328 HA PRO 43 HA PRO 43 13.287 -5.695 -20.228 329 1HB PRO 43 HB2 PRO 43 13.446 -8.054 -21.445 330 2HB PRO 43 HB1 PRO 43 13.590 -6.553 -22.366 331 1HG PRO 43 HG2 PRO 43 15.703 -8.478 -21.543 332 2HG PRO 43 HG1 PRO 43 15.595 -7.481 -23.003 333 1HD PRO 43 HD2 PRO 43 17.076 -6.916 -20.650 334 2HD PRO 43 HD1 PRO 43 16.807 -5.835 -22.029 335 H ALA 44 HN ALA 44 15.266 -6.039 -18.045 336 HA ALA 44 HA ALA 44 15.249 -8.683 -17.051 337 1HB ALA 44 HB1 ALA 44 15.943 -6.014 -15.981 338 2HB ALA 44 HB3 ALA 44 15.617 -7.291 -14.809 339 3HB ALA 44 HB2 ALA 44 16.884 -7.505 -16.017 340 H VAL 45 HN VAL 45 12.778 -6.327 -17.148 341 HA VAL 45 HA VAL 45 11.305 -6.525 -14.899 342 HB VAL 45 HB VAL 45 10.160 -6.617 -17.694 343 1HG1 VAL 45 3HG1 VAL 45 8.940 -5.921 -15.032 344 2HG1 VAL 45 2HG1 VAL 45 8.233 -5.426 -16.571 345 3HG1 VAL 45 1HG1 VAL 45 8.408 -7.139 -16.192 346 1HG2 VAL 45 1HG2 VAL 45 11.192 -4.393 -15.977 347 2HG2 VAL 45 3HG2 VAL 45 11.480 -4.712 -17.688 348 3HG2 VAL 45 2HG2 VAL 45 9.917 -4.090 -17.156 349 H ASP 46 HN ASP 46 10.746 -8.736 -17.660 350 HA ASP 46 HA ASP 46 9.052 -10.455 -16.177 351 1HB ASP 46 HB2 ASP 46 9.153 -10.171 -18.707 352 2HB ASP 46 HB1 ASP 46 10.559 -11.230 -18.672 353 H GLU 47 HN GLU 47 12.528 -10.370 -16.596 354 HA GLU 47 HA GLU 47 13.045 -13.072 -15.883 355 1HB GLU 47 HB2 GLU 47 14.658 -11.527 -17.028 356 2HB GLU 47 HB1 GLU 47 14.876 -10.698 -15.496 357 1HG GLU 47 HG2 GLU 47 16.583 -12.486 -16.229 358 2HG GLU 47 HG1 GLU 47 16.037 -12.450 -14.557 359 H LYS 48 HN LYS 48 12.930 -10.072 -13.977 360 HA LYS 48 HA LYS 48 13.752 -11.086 -11.518 361 1HB LYS 48 HB2 LYS 48 12.374 -8.706 -12.478 362 2HB LYS 48 HB1 LYS 48 11.831 -9.187 -10.876 363 1HG LYS 48 HG2 LYS 48 13.564 -7.932 -10.202 364 2HG LYS 48 HG1 LYS 48 14.494 -9.391 -10.546 365 1HD LYS 48 HD2 LYS 48 14.095 -7.752 -12.914 366 2HD LYS 48 HD1 LYS 48 14.917 -6.874 -11.623 367 1HE LYS 48 HE2 LYS 48 16.723 -7.835 -12.628 368 2HE LYS 48 HE1 LYS 48 16.320 -9.110 -11.481 369 1HZ LYS 48 HZ2 LYS 48 15.029 -9.231 -14.095 370 2HZ LYS 48 HZ1 LYS 48 16.685 -9.569 -14.050 371 3HZ LYS 48 HZ3 LYS 48 15.611 -10.481 -13.115 372 H LEU 49 HN LEU 49 10.706 -11.464 -13.169 373 HA LEU 49 HA LEU 49 9.086 -12.163 -10.970 374 1HB LEU 49 HB2 LEU 49 8.929 -12.396 -13.905 375 2HB LEU 49 HB1 LEU 49 8.023 -13.610 -13.028 376 HG LEU 49 HG LEU 49 6.601 -11.726 -13.605 377 1HD1 LEU 49 2HD1 LEU 49 6.313 -12.980 -11.442 378 2HD1 LEU 49 1HD1 LEU 49 7.125 -11.632 -10.645 379 3HD1 LEU 49 3HD1 LEU 49 5.600 -11.368 -11.491 380 1HD2 LEU 49 1HD2 LEU 49 8.356 -10.007 -13.688 381 2HD2 LEU 49 3HD2 LEU 49 6.979 -9.509 -12.706 382 3HD2 LEU 49 2HD2 LEU 49 8.466 -10.051 -11.928 383 H ARG 50 HN ARG 50 10.594 -14.276 -13.414 384 HA ARG 50 HA ARG 50 10.176 -16.672 -11.986 385 1HB ARG 50 HB2 ARG 50 12.300 -16.072 -14.058 386 2HB ARG 50 HB1 ARG 50 11.779 -17.672 -13.548 387 1HG ARG 50 HG2 ARG 50 10.150 -15.626 -15.040 388 2HG ARG 50 HG1 ARG 50 10.776 -17.154 -15.661 389 1HD ARG 50 HD2 ARG 50 8.665 -17.835 -15.183 390 2HD ARG 50 HD1 ARG 50 9.385 -18.100 -13.596 391 HE ARG 50 HE ARG 50 8.250 -15.474 -13.964 392 1HH1 ARG 50 1HH1 ARG 50 7.615 -18.768 -12.957 393 2HH1 ARG 50 2HH1 ARG 50 6.256 -18.335 -11.978 394 1HH2 ARG 50 1HH2 ARG 50 6.459 -14.912 -12.670 395 2HH2 ARG 50 2HH2 ARG 50 5.598 -16.148 -11.815 396 H ASP 51 HN ASP 51 12.704 -14.243 -11.893 397 HA ASP 51 HA ASP 51 14.738 -15.669 -10.624 398 1HB ASP 51 HB2 ASP 51 13.959 -12.776 -10.659 399 2HB ASP 51 HB1 ASP 51 15.224 -13.312 -9.561 400 H LEU 52 HN LEU 52 12.251 -13.626 -9.086 401 HA LEU 52 HA LEU 52 12.894 -14.308 -6.441 402 1HB LEU 52 HB2 LEU 52 10.617 -13.021 -7.819 403 2HB LEU 52 HB1 LEU 52 10.262 -13.714 -6.249 404 HG LEU 52 HG LEU 52 10.794 -11.348 -6.053 405 1HD1 LEU 52 2HD1 LEU 52 11.455 -13.016 -4.281 406 2HD1 LEU 52 1HD1 LEU 52 13.095 -12.919 -4.926 407 3HD1 LEU 52 3HD1 LEU 52 12.323 -11.481 -4.260 408 1HD2 LEU 52 3HD2 LEU 52 12.238 -11.134 -8.012 409 2HD2 LEU 52 2HD2 LEU 52 13.026 -10.506 -6.565 410 3HD2 LEU 52 1HD2 LEU 52 13.483 -12.085 -7.204 411 H TYR 53 HN TYR 53 10.928 -15.924 -8.843 412 HA TYR 53 HA TYR 53 9.530 -17.661 -7.088 413 1HB TYR 53 HB2 TYR 53 9.971 -17.457 -10.007 414 2HB TYR 53 HB1 TYR 53 9.604 -19.070 -9.406 415 HD1 TYR 53 HD1 TYR 53 8.361 -15.566 -8.975 416 HD2 TYR 53 HD2 TYR 53 7.385 -19.688 -9.366 417 HE1 TYR 53 HE1 TYR 53 5.971 -14.996 -8.932 418 HE2 TYR 53 HE2 TYR 53 4.991 -19.130 -9.325 419 HH TYR 53 HH TYR 53 3.693 -16.536 -9.996 420 H SER 54 HN SER 54 12.535 -18.018 -8.952 421 HA SER 54 HA SER 54 13.075 -20.691 -8.284 422 1HB SER 54 HB2 SER 54 15.015 -18.456 -8.936 423 2HB SER 54 HB1 SER 54 15.413 -20.174 -8.920 424 HG SER 54 HG SER 54 14.292 -20.474 -10.726 425 H LYS 55 HN LYS 55 14.303 -17.683 -6.806 426 HA LYS 55 HA LYS 55 15.758 -18.911 -4.738 427 1HB LYS 55 HB2 LYS 55 15.818 -16.468 -5.557 428 2HB LYS 55 HB1 LYS 55 14.460 -16.209 -4.471 429 1HG LYS 55 HG2 LYS 55 16.310 -15.578 -3.217 430 2HG LYS 55 HG1 LYS 55 15.966 -17.216 -2.658 431 1HD LYS 55 HD2 LYS 55 17.668 -17.945 -4.458 432 2HD LYS 55 HD1 LYS 55 18.174 -16.255 -4.446 433 1HE LYS 55 HE2 LYS 55 18.629 -16.396 -2.056 434 2HE LYS 55 HE1 LYS 55 18.081 -18.071 -2.038 435 1HZ LYS 55 HZ3 LYS 55 19.892 -18.641 -3.535 436 2HZ LYS 55 HZ2 LYS 55 20.418 -17.033 -3.551 437 3HZ LYS 55 HZ1 LYS 55 20.489 -17.931 -2.120 438 H SER 56 HN SER 56 12.364 -18.054 -5.010 439 HA SER 56 HA SER 56 11.653 -18.193 -2.301 440 1HB SER 56 HB2 SER 56 10.201 -18.298 -4.884 441 2HB SER 56 HB1 SER 56 9.348 -18.920 -3.472 442 HG SER 56 HG SER 56 9.172 -16.958 -2.721 443 H THR 57 HN THR 57 12.527 -20.791 -4.415 444 HA THR 57 HA THR 57 10.928 -22.850 -3.424 445 HB THR 57 HB THR 57 12.745 -24.382 -4.162 446 HG1 THR 57 HG1 THR 57 14.677 -23.603 -4.140 447 1HG2 THR 57 2HG2 THR 57 12.073 -22.165 -6.076 448 2HG2 THR 57 1HG2 THR 57 12.860 -23.675 -6.532 449 3HG2 THR 57 3HG2 THR 57 11.226 -23.697 -5.869 450 H ALA 58 HN ALA 58 14.251 -22.004 -2.403 451 HA ALA 58 HA ALA 58 13.948 -23.618 -0.004 452 1HB ALA 58 HB1 ALA 58 16.052 -23.712 -1.239 453 2HB ALA 58 HB3 ALA 58 16.296 -21.987 -0.965 454 3HB ALA 58 HB2 ALA 58 16.301 -23.105 0.398 455 H ALA 59 HN ALA 59 14.377 -20.202 -0.867 456 HA ALA 59 HA ALA 59 14.595 -19.177 1.739 457 1HB ALA 59 HB3 ALA 59 14.152 -17.016 0.773 458 2HB ALA 59 HB1 ALA 59 13.480 -17.762 -0.678 459 3HB ALA 59 HB2 ALA 59 15.197 -17.938 -0.309 460 H MET 60 HN MET 60 11.717 -19.084 -0.396 461 HA MET 60 HA MET 60 9.961 -18.142 1.577 462 1HB MET 60 HB2 MET 60 9.713 -18.347 -1.040 463 2HB MET 60 HB1 MET 60 8.931 -19.867 -0.631 464 1HG MET 60 HG2 MET 60 7.313 -18.077 -0.905 465 2HG MET 60 HG1 MET 60 7.316 -18.692 0.747 466 1HE MET 60 HE2 MET 60 8.218 -17.591 2.729 467 2HE MET 60 HE1 MET 60 8.147 -15.840 2.929 468 3HE MET 60 HE3 MET 60 6.693 -16.736 2.492 469 H SER 61 HN SER 61 11.060 -21.396 0.889 470 HA SER 61 HA SER 61 8.962 -22.779 2.202 471 1HB SER 61 HB2 SER 61 11.672 -23.457 1.208 472 2HB SER 61 HB1 SER 61 11.020 -24.503 2.470 473 HG SER 61 HG SER 61 10.147 -24.105 -0.148 474 H THR 62 HN THR 62 11.593 -20.939 3.407 475 HA THR 62 HA THR 62 11.387 -22.156 6.068 476 HB THR 62 HB THR 62 13.390 -20.105 5.105 477 HG1 THR 62 HG1 THR 62 13.593 -22.932 5.219 478 1HG2 THR 62 3HG2 THR 62 13.397 -21.914 7.508 479 2HG2 THR 62 2HG2 THR 62 14.760 -20.931 6.972 480 3HG2 THR 62 1HG2 THR 62 13.268 -20.155 7.504 481 H TYR 63 HN TYR 63 11.335 -18.979 4.465 482 HA TYR 63 HA TYR 63 10.584 -17.488 6.717 483 1HB TYR 63 HB2 TYR 63 10.531 -16.999 3.757 484 2HB TYR 63 HB1 TYR 63 9.762 -15.854 4.849 485 HD1 TYR 63 HD1 TYR 63 12.955 -17.779 5.164 486 HD2 TYR 63 HD2 TYR 63 11.093 -13.961 4.909 487 HE1 TYR 63 HE1 TYR 63 15.127 -16.698 5.559 488 HE2 TYR 63 HE2 TYR 63 13.261 -12.871 5.304 489 HH TYR 63 HH TYR 63 15.675 -13.996 6.620 490 H THR 64 HN THR 64 8.775 -19.566 4.616 491 HA THR 64 HA THR 64 6.240 -18.332 5.023 492 HB THR 64 HB THR 64 7.119 -21.014 4.014 493 HG1 THR 64 HG1 THR 64 5.560 -18.903 2.936 494 1HG2 THR 64 1HG2 THR 64 4.306 -20.284 4.753 495 2HG2 THR 64 3HG2 THR 64 4.684 -21.472 3.505 496 3HG2 THR 64 2HG2 THR 64 5.212 -21.740 5.166 497 H GLY 65 HN GLY 65 7.616 -21.318 6.391 498 1HA GLY 65 HA1 GLY 65 7.227 -22.359 8.406 499 2HA GLY 65 HA2 GLY 65 5.641 -21.594 8.402 500 H ILE 66 HN ILE 66 8.755 -19.949 8.277 501 HA ILE 66 HA ILE 66 8.975 -19.326 11.026 502 HB ILE 66 HB ILE 66 10.182 -18.095 8.557 503 1HG1 ILE 66 2HG1 ILE 66 10.985 -20.313 9.360 504 2HG1 ILE 66 1HG1 ILE 66 12.235 -19.074 9.380 505 1HG2 ILE 66 3HG2 ILE 66 10.456 -17.157 11.400 506 2HG2 ILE 66 2HG2 ILE 66 11.667 -16.817 10.165 507 3HG2 ILE 66 1HG2 ILE 66 10.020 -16.217 9.973 508 1HD1 ILE 66 3HD1 ILE 66 10.670 -20.033 11.767 509 2HD1 ILE 66 2HD1 ILE 66 12.327 -20.481 11.361 510 3HD1 ILE 66 1HD1 ILE 66 11.943 -18.812 11.783 511 H PHE 67 HN PHE 67 7.936 -17.284 8.283 512 HA PHE 67 HA PHE 67 7.161 -15.029 9.689 513 1HB PHE 67 HB2 PHE 67 6.260 -16.229 7.106 514 2HB PHE 67 HB1 PHE 67 5.329 -14.898 7.777 515 HD1 PHE 67 HD1 PHE 67 5.817 -13.404 5.969 516 HD2 PHE 67 HD2 PHE 67 8.964 -15.151 8.244 517 HE1 PHE 67 HE1 PHE 67 7.406 -11.794 5.003 518 HE2 PHE 67 HE2 PHE 67 10.556 -13.543 7.281 519 HZ PHE 67 HZ PHE 67 9.779 -11.863 5.660 520 H THR 68 HN THR 68 5.076 -17.772 8.780 521 HA THR 68 HA THR 68 2.805 -16.864 10.175 522 HB THR 68 HB THR 68 1.981 -19.206 9.933 523 HG1 THR 68 HG1 THR 68 3.653 -20.534 9.999 524 1HG2 THR 68 2HG2 THR 68 1.667 -17.664 8.071 525 2HG2 THR 68 1HG2 THR 68 3.244 -18.122 7.426 526 3HG2 THR 68 3HG2 THR 68 1.947 -19.313 7.513 527 H ASP 69 HN ASP 69 5.658 -18.472 11.239 528 HA ASP 69 HA ASP 69 4.733 -19.781 13.532 529 1HB ASP 69 HB2 ASP 69 7.095 -19.804 12.492 530 2HB ASP 69 HB1 ASP 69 7.388 -18.360 13.454 531 H GLN 70 HN GLN 70 6.129 -16.502 13.299 532 HA GLN 70 HA GLN 70 5.460 -15.808 15.975 533 1HB GLN 70 HB2 GLN 70 6.388 -14.239 13.586 534 2HB GLN 70 HB1 GLN 70 5.920 -13.426 15.073 535 1HG GLN 70 HG2 GLN 70 8.269 -13.679 15.126 536 2HG GLN 70 HG1 GLN 70 7.600 -14.840 16.273 537 1HE2 GLN 70 1HE2 GLN 70 8.748 -14.548 12.932 538 2HE2 GLN 70 2HE2 GLN 70 9.382 -16.151 12.829 539 H VAL 71 HN VAL 71 3.713 -15.704 12.990 540 HA VAL 71 HA VAL 71 1.798 -13.726 13.692 541 HB VAL 71 HB VAL 71 1.622 -16.004 11.704 542 1HG1 VAL 71 3HG1 VAL 71 -0.270 -13.738 12.275 543 2HG1 VAL 71 2HG1 VAL 71 -0.243 -14.580 10.725 544 3HG1 VAL 71 1HG1 VAL 71 -0.615 -15.466 12.204 545 1HG2 VAL 71 1HG2 VAL 71 3.243 -13.876 11.538 546 2HG2 VAL 71 3HG2 VAL 71 2.491 -14.626 10.130 547 3HG2 VAL 71 2HG2 VAL 71 1.779 -13.180 10.843 548 H LEU 72 HN LEU 72 1.657 -17.278 13.623 549 HA LEU 72 HA LEU 72 -0.828 -17.567 14.876 550 1HB LEU 72 HB2 LEU 72 -0.375 -19.828 15.013 551 2HB LEU 72 HB1 LEU 72 0.664 -19.335 13.693 552 HG LEU 72 HG LEU 72 2.368 -19.080 15.801 553 1HD1 LEU 72 1HD1 LEU 72 0.739 -19.981 17.379 554 2HD1 LEU 72 3HD1 LEU 72 0.601 -21.446 16.406 555 3HD1 LEU 72 2HD1 LEU 72 2.125 -21.057 17.204 556 1HD2 LEU 72 1HD2 LEU 72 2.714 -20.232 13.621 557 2HD2 LEU 72 3HD2 LEU 72 3.403 -21.085 15.001 558 3HD2 LEU 72 2HD2 LEU 72 1.890 -21.641 14.288 559 H SER 73 HN SER 73 2.407 -17.040 16.119 560 HA SER 73 HA SER 73 1.956 -17.624 18.820 561 1HB SER 73 HB2 SER 73 4.164 -16.991 17.545 562 2HB SER 73 HB1 SER 73 3.746 -15.350 18.038 563 HG SER 73 HG SER 73 4.613 -17.494 19.555 564 H VAL 74 HN VAL 74 1.264 -14.746 16.942 565 HA VAL 74 HA VAL 74 0.531 -13.116 19.172 566 HB VAL 74 HB VAL 74 -0.351 -12.780 16.299 567 1HG1 VAL 74 3HG1 VAL 74 -0.508 -11.112 18.739 568 2HG1 VAL 74 2HG1 VAL 74 -0.100 -10.290 17.234 569 3HG1 VAL 74 1HG1 VAL 74 -1.597 -11.211 17.356 570 1HG2 VAL 74 1HG2 VAL 74 2.276 -12.498 17.510 571 2HG2 VAL 74 3HG2 VAL 74 1.807 -12.495 15.810 572 3HG2 VAL 74 2HG2 VAL 74 1.721 -11.007 16.751 573 H LEU 75 HN LEU 75 -1.030 -15.654 17.456 574 HA LEU 75 HA LEU 75 -3.736 -14.906 17.815 575 1HB LEU 75 HB2 LEU 75 -2.587 -16.851 16.418 576 2HB LEU 75 HB1 LEU 75 -2.933 -17.777 17.865 577 HG LEU 75 HG LEU 75 -4.661 -18.013 16.108 578 1HD1 LEU 75 1HD1 LEU 75 -5.087 -18.169 18.624 579 2HD1 LEU 75 3HD1 LEU 75 -5.860 -16.594 18.459 580 3HD1 LEU 75 2HD1 LEU 75 -6.483 -17.979 17.564 581 1HD2 LEU 75 1HD2 LEU 75 -4.494 -15.718 15.213 582 2HD2 LEU 75 3HD2 LEU 75 -6.151 -16.187 15.593 583 3HD2 LEU 75 2HD2 LEU 75 -5.268 -15.116 16.679 584 H LYS 76 HN LYS 76 -1.415 -16.616 19.775 585 HA LYS 76 HA LYS 76 -3.229 -17.405 21.831 586 1HB LYS 76 HB2 LYS 76 -0.229 -17.073 22.014 587 2HB LYS 76 HB1 LYS 76 -1.246 -17.998 23.108 588 1HG LYS 76 HG2 LYS 76 -0.939 -18.629 20.182 589 2HG LYS 76 HG1 LYS 76 0.040 -19.356 21.456 590 1HD LYS 76 HD2 LYS 76 -1.668 -20.648 22.219 591 2HD LYS 76 HD1 LYS 76 -2.899 -19.452 21.812 592 1HE LYS 76 HE2 LYS 76 -3.264 -21.260 20.348 593 2HE LYS 76 HE1 LYS 76 -2.455 -20.026 19.384 594 1HZ LYS 76 HZ1 LYS 76 -1.097 -22.352 20.642 595 2HZ LYS 76 HZ3 LYS 76 -1.557 -22.264 19.015 596 3HZ LYS 76 HZ2 LYS 76 -0.385 -21.206 19.621 597 H GLY 77 HN GLY 77 -1.154 -14.596 21.312 598 1HA GLY 77 HA1 GLY 77 -1.064 -12.556 22.354 599 2HA GLY 77 HA2 GLY 77 -1.221 -13.456 23.854 600 H GLU 78 HN GLU 78 -3.511 -12.980 21.159 601 HA GLU 78 HA GLU 78 -5.208 -11.309 22.814 602 1HB GLU 78 HB2 GLU 78 -5.418 -12.275 19.965 603 2HB GLU 78 HB1 GLU 78 -6.692 -11.351 20.746 604 1HG GLU 78 HG2 GLU 78 -5.587 -9.648 19.755 605 2HG GLU 78 HG1 GLU 78 -4.673 -9.716 21.262 606 H GLU 79 HN GLU 79 -5.618 -14.391 21.049 607 HA GLU 79 HA GLU 79 -7.953 -14.999 22.703 608 1HB GLU 79 HB2 GLU 79 -6.849 -16.482 20.307 609 2HB GLU 79 HB1 GLU 79 -8.369 -16.821 21.122 610 1HG GLU 79 HG2 GLU 79 -9.338 -15.477 19.652 611 2HG GLU 79 HG1 GLU 79 -8.541 -14.136 20.472 No H/Q in entry = 611 Start of MODEL 7 1 H1 THR 1 HT2 THR 1 23.876 -3.233 25.354 2 H2 THR 1 HT1 THR 1 22.854 -4.009 26.494 3 H3 THR 1 HT3 THR 1 22.486 -2.425 25.955 4 HA THR 1 HA THR 1 23.384 -2.266 28.090 5 HB THR 1 HB THR 1 24.474 -4.498 28.028 6 HG1 THR 1 HG1 THR 1 26.240 -2.405 28.766 7 1HG2 THR 1 3HG2 THR 1 25.621 -4.237 25.833 8 2HG2 THR 1 2HG2 THR 1 26.770 -3.158 26.625 9 3HG2 THR 1 1HG2 THR 1 26.647 -4.843 27.133 10 H GLN 2 HN GLN 2 24.309 -0.345 28.540 11 HA GLN 2 HA GLN 2 25.490 1.131 26.327 12 1HB GLN 2 HB2 GLN 2 23.746 2.265 27.536 13 2HB GLN 2 HB1 GLN 2 24.549 1.974 29.071 14 1HG GLN 2 HG2 GLN 2 26.196 3.436 27.158 15 2HG GLN 2 HG1 GLN 2 24.703 4.267 27.588 16 1HE2 GLN 2 1HE2 GLN 2 27.497 4.916 28.220 17 2HE2 GLN 2 2HE2 GLN 2 27.579 5.013 29.942 18 H GLN 3 HN GLN 3 26.277 0.841 29.809 19 HA GLN 3 HA GLN 3 29.023 0.214 29.251 20 1HB GLN 3 HB2 GLN 3 28.850 2.729 28.954 21 2HB GLN 3 HB1 GLN 3 28.467 2.822 30.667 22 1HG GLN 3 HG2 GLN 3 30.657 1.604 31.069 23 2HG GLN 3 HG1 GLN 3 31.026 1.937 29.378 24 1HE2 GLN 3 1HE2 GLN 3 32.543 3.464 29.425 25 2HE2 GLN 3 2HE2 GLN 3 32.434 4.957 30.287 26 HA PRO 4 HA PRO 4 28.455 -1.940 33.087 27 1HB PRO 4 HB2 PRO 4 31.117 -1.863 33.909 28 2HB PRO 4 HB1 PRO 4 30.398 -3.092 32.865 29 1HG PRO 4 HG2 PRO 4 31.992 -0.676 32.132 30 2HG PRO 4 HG1 PRO 4 32.009 -2.298 31.412 31 1HD PRO 4 HD2 PRO 4 30.768 -0.261 30.206 32 2HD PRO 4 HD1 PRO 4 30.085 -1.900 30.171 33 H GLN 5 HN GLN 5 30.281 1.085 32.986 34 HA GLN 5 HA GLN 5 30.178 1.559 35.802 35 1HB GLN 5 HB2 GLN 5 30.869 3.265 33.422 36 2HB GLN 5 HB1 GLN 5 30.756 3.960 35.031 37 1HG GLN 5 HG2 GLN 5 33.030 3.481 34.678 38 2HG GLN 5 HG1 GLN 5 32.433 2.235 35.773 39 1HE2 GLN 5 1HE2 GLN 5 33.095 2.893 32.359 40 2HE2 GLN 5 2HE2 GLN 5 33.510 1.268 31.945 41 H GLN 6 HN GLN 6 28.699 3.506 33.199 42 HA GLN 6 HA GLN 6 26.746 4.646 34.914 43 1HB GLN 6 HB2 GLN 6 27.298 4.670 31.986 44 2HB GLN 6 HB1 GLN 6 25.698 5.165 32.517 45 1HG GLN 6 HG2 GLN 6 26.721 7.181 32.544 46 2HG GLN 6 HG1 GLN 6 27.108 6.657 34.183 47 1HE2 GLN 6 1HE2 GLN 6 29.219 5.877 34.623 48 2HE2 GLN 6 2HE2 GLN 6 30.551 6.304 33.610 49 H ASP 7 HN ASP 7 24.320 4.564 33.914 50 HA ASP 7 HA ASP 7 23.371 1.959 34.578 51 1HB ASP 7 HB2 ASP 7 22.154 4.123 35.038 52 2HB ASP 7 HB1 ASP 7 21.780 4.202 33.320 53 H GLU 8 HN GLU 8 24.116 0.458 33.117 54 HA GLU 8 HA GLU 8 23.958 0.789 30.296 55 1HB GLU 8 HB2 GLU 8 24.436 -1.678 30.236 56 2HB GLU 8 HB1 GLU 8 25.607 -0.716 31.125 57 1HG GLU 8 HG2 GLU 8 23.595 -1.591 32.938 58 2HG GLU 8 HG1 GLU 8 24.151 -2.975 31.996 59 H MET 9 HN MET 9 22.285 0.548 28.975 60 HA MET 9 HA MET 9 19.700 -0.118 29.944 61 1HB MET 9 HB2 MET 9 20.157 1.453 28.055 62 2HB MET 9 HB1 MET 9 20.603 0.071 27.065 63 1HG MET 9 HG2 MET 9 18.455 -0.636 26.829 64 2HG MET 9 HG1 MET 9 17.948 0.022 28.382 65 1HE MET 9 HE1 MET 9 16.240 1.761 28.412 66 2HE MET 9 HE3 MET 9 17.671 2.724 28.775 67 3HE MET 9 HE2 MET 9 16.466 3.330 27.640 68 HA PRO 10 HA PRO 10 20.290 -4.564 29.562 69 1HB PRO 10 HB2 PRO 10 17.836 -5.256 30.511 70 2HB PRO 10 HB1 PRO 10 19.181 -4.787 31.556 71 1HG PRO 10 HG2 PRO 10 16.857 -3.156 30.613 72 2HG PRO 10 HG1 PRO 10 17.594 -3.228 32.224 73 1HD PRO 10 HD2 PRO 10 18.102 -1.223 30.478 74 2HD PRO 10 HD1 PRO 10 19.311 -1.806 31.639 75 H SER 11 HN SER 11 17.356 -2.878 28.449 76 HA SER 11 HA SER 11 16.550 -4.963 26.676 77 1HB SER 11 HB2 SER 11 15.724 -2.068 26.931 78 2HB SER 11 HB1 SER 11 15.014 -3.168 25.750 79 HG SER 11 HG SER 11 14.026 -4.247 27.317 80 HA PRO 12 HA PRO 12 19.363 -4.073 23.346 81 1HB PRO 12 HB2 PRO 12 18.074 -5.466 21.390 82 2HB PRO 12 HB1 PRO 12 19.054 -6.234 22.645 83 1HG PRO 12 HG2 PRO 12 16.083 -5.915 22.490 84 2HG PRO 12 HG1 PRO 12 17.033 -7.324 22.993 85 1HD PRO 12 HD2 PRO 12 15.861 -5.655 24.768 86 2HD PRO 12 HD1 PRO 12 17.394 -6.481 25.109 87 H THR 13 HN THR 13 19.540 -2.559 21.765 88 HA THR 13 HA THR 13 17.398 -0.714 21.392 89 HB THR 13 HB THR 13 19.801 -0.064 21.434 90 HG1 THR 13 HG1 THR 13 18.565 1.469 20.544 91 1HG2 THR 13 2HG2 THR 13 20.578 -1.968 19.955 92 2HG2 THR 13 1HG2 THR 13 19.977 -1.016 18.598 93 3HG2 THR 13 3HG2 THR 13 21.255 -0.372 19.627 94 H PHE 14 HN PHE 14 16.135 -0.302 19.615 95 HA PHE 14 HA PHE 14 16.385 -2.066 17.287 96 1HB PHE 14 HB2 PHE 14 13.869 -1.689 18.922 97 2HB PHE 14 HB1 PHE 14 13.891 -2.397 17.311 98 HD1 PHE 14 HD1 PHE 14 15.787 -4.332 17.103 99 HD2 PHE 14 HD2 PHE 14 13.758 -3.167 20.659 100 HE1 PHE 14 HE1 PHE 14 16.242 -6.541 18.082 101 HE2 PHE 14 HE2 PHE 14 14.211 -5.375 21.644 102 HZ PHE 14 HZ PHE 14 15.455 -7.065 20.356 103 H LEU 15 HN LEU 15 14.283 0.516 18.599 104 HA LEU 15 HA LEU 15 13.647 1.647 16.104 105 1HB LEU 15 HB2 LEU 15 13.553 2.684 18.920 106 2HB LEU 15 HB1 LEU 15 13.138 3.720 17.567 107 HG LEU 15 HG LEU 15 11.774 1.074 18.003 108 1HD1 LEU 15 2HD1 LEU 15 11.495 2.386 20.040 109 2HD1 LEU 15 1HD1 LEU 15 10.937 3.761 19.087 110 3HD1 LEU 15 3HD1 LEU 15 9.983 2.278 19.139 111 1HD2 LEU 15 3HD2 LEU 15 11.017 3.587 16.514 112 2HD2 LEU 15 2HD2 LEU 15 11.516 2.052 15.802 113 3HD2 LEU 15 1HD2 LEU 15 9.996 2.159 16.689 114 H THR 16 HN THR 16 16.105 2.566 18.513 115 HA THR 16 HA THR 16 17.119 4.814 17.202 116 HB THR 16 HB THR 16 18.734 2.878 18.869 117 HG1 THR 16 HG1 THR 16 17.305 3.364 20.334 118 1HG2 THR 16 3HG2 THR 16 19.017 5.834 18.396 119 2HG2 THR 16 2HG2 THR 16 19.903 4.921 19.617 120 3HG2 THR 16 1HG2 THR 16 20.135 4.562 17.905 121 H GLN 17 HN GLN 17 17.896 1.384 16.803 122 HA GLN 17 HA GLN 17 20.139 1.687 15.135 123 1HB GLN 17 HB2 GLN 17 19.156 -0.436 16.301 124 2HB GLN 17 HB1 GLN 17 18.228 -0.606 14.817 125 1HG GLN 17 HG2 GLN 17 21.224 -0.368 14.872 126 2HG GLN 17 HG1 GLN 17 20.368 -1.907 14.925 127 1HE2 GLN 17 1HE2 GLN 17 21.770 0.368 12.938 128 2HE2 GLN 17 2HE2 GLN 17 21.071 -0.120 11.436 129 H VAL 18 HN VAL 18 16.722 1.109 14.305 130 HA VAL 18 HA VAL 18 16.551 0.914 11.678 131 HB VAL 18 HB VAL 18 14.957 2.959 13.230 132 1HG1 VAL 18 2HG1 VAL 18 14.537 1.706 10.531 133 2HG1 VAL 18 1HG1 VAL 18 13.215 2.412 11.461 134 3HG1 VAL 18 3HG1 VAL 18 14.572 3.418 10.954 135 1HG2 VAL 18 3HG2 VAL 18 14.863 0.012 13.042 136 2HG2 VAL 18 2HG2 VAL 18 14.374 1.084 14.355 137 3HG2 VAL 18 1HG2 VAL 18 13.315 0.851 12.965 138 H LYS 19 HN LYS 19 17.035 4.123 13.178 139 HA LYS 19 HA LYS 19 17.164 5.662 10.897 140 1HB LYS 19 HB2 LYS 19 18.650 5.972 13.504 141 2HB LYS 19 HB1 LYS 19 18.644 7.200 12.246 142 1HG LYS 19 HG2 LYS 19 16.839 8.037 13.223 143 2HG LYS 19 HG1 LYS 19 15.963 6.624 12.633 144 1HD LYS 19 HD2 LYS 19 17.056 5.568 14.841 145 2HD LYS 19 HD1 LYS 19 16.954 7.254 15.352 146 1HE LYS 19 HE2 LYS 19 14.613 5.799 14.151 147 2HE LYS 19 HE1 LYS 19 14.965 5.742 15.877 148 1HZ LYS 19 HZ1 LYS 19 14.835 8.182 15.911 149 2HZ LYS 19 HZ3 LYS 19 14.395 8.178 14.277 150 3HZ LYS 19 HZ2 LYS 19 13.379 7.470 15.428 151 H GLU 20 HN GLU 20 19.921 4.126 12.554 152 HA GLU 20 HA GLU 20 21.857 4.919 10.663 153 1HB GLU 20 HB2 GLU 20 21.819 2.642 12.643 154 2HB GLU 20 HB1 GLU 20 23.221 3.041 11.661 155 1HG GLU 20 HG2 GLU 20 23.734 4.157 13.575 156 2HG GLU 20 HG1 GLU 20 22.878 5.424 12.697 157 H SER 21 HN SER 21 19.633 2.244 10.783 158 HA SER 21 HA SER 21 20.847 0.578 8.858 159 1HB SER 21 HB2 SER 21 19.049 -0.769 9.167 160 2HB SER 21 HB1 SER 21 18.671 0.330 10.489 161 HG SER 21 HG SER 21 17.099 1.217 9.328 162 H LEU 22 HN LEU 22 18.492 3.207 8.574 163 HA LEU 22 HA LEU 22 18.128 2.947 5.760 164 1HB LEU 22 HB2 LEU 22 16.618 4.110 7.506 165 2HB LEU 22 HB1 LEU 22 17.688 5.485 7.304 166 HG LEU 22 HG LEU 22 17.121 5.077 4.734 167 1HD1 LEU 22 2HD1 LEU 22 14.698 4.033 6.194 168 2HD1 LEU 22 1HD1 LEU 22 14.763 4.447 4.481 169 3HD1 LEU 22 3HD1 LEU 22 15.741 3.119 5.104 170 1HD2 LEU 22 1HD2 LEU 22 15.314 6.492 6.691 171 2HD2 LEU 22 3HD2 LEU 22 16.770 7.155 5.951 172 3HD2 LEU 22 2HD2 LEU 22 15.368 6.774 4.952 173 H SER 23 HN SER 23 20.275 4.862 7.811 174 HA SER 23 HA SER 23 21.293 6.595 5.868 175 1HB SER 23 HB2 SER 23 22.727 5.464 8.284 176 2HB SER 23 HB1 SER 23 23.216 6.893 7.374 177 HG SER 23 HG SER 23 21.174 6.569 9.217 178 H SER 24 HN SER 24 22.567 3.459 6.978 179 HA SER 24 HA SER 24 24.716 3.353 5.148 180 1HB SER 24 HB2 SER 24 23.247 1.074 6.501 181 2HB SER 24 HB1 SER 24 24.819 0.955 5.712 182 HG SER 24 HG SER 24 24.138 2.055 8.163 183 H TYR 25 HN TYR 25 21.336 2.863 4.739 184 HA TYR 25 HA TYR 25 21.566 1.192 2.394 185 1HB TYR 25 HB2 TYR 25 19.605 1.154 4.002 186 2HB TYR 25 HB1 TYR 25 19.126 2.710 3.333 187 HD1 TYR 25 HD1 TYR 25 19.239 -0.882 2.796 188 HD2 TYR 25 HD2 TYR 25 18.374 2.867 0.982 189 HE1 TYR 25 HE1 TYR 25 18.026 -2.039 0.997 190 HE2 TYR 25 HE2 TYR 25 17.158 1.722 -0.821 191 HH TYR 25 HH TYR 25 17.444 -1.074 -1.749 192 H TRP 26 HN TRP 26 20.991 4.599 3.131 193 HA TRP 26 HA TRP 26 20.388 5.465 0.518 194 1HB TRP 26 HB2 TRP 26 21.098 6.723 3.086 195 2HB TRP 26 HB1 TRP 26 21.539 7.662 1.665 196 HD1 TRP 26 HD1 TRP 26 19.741 9.506 1.651 197 HE1 TRP 26 HE1 TRP 26 17.170 9.546 1.562 198 HE3 TRP 26 HE3 TRP 26 18.820 4.514 2.290 199 HZ2 TRP 26 HZ2 TRP 26 15.036 7.709 1.738 200 HZ3 TRP 26 HZ3 TRP 26 16.487 3.741 2.319 201 HH2 TRP 26 HH2 TRP 26 14.635 5.306 2.048 202 H GLU 27 HN GLU 27 23.433 5.133 2.259 203 HA GLU 27 HA GLU 27 25.268 6.414 0.737 204 1HB GLU 27 HB2 GLU 27 25.298 3.967 2.371 205 2HB GLU 27 HB1 GLU 27 26.579 4.048 1.169 206 1HG GLU 27 HG2 GLU 27 27.521 4.988 3.071 207 2HG GLU 27 HG1 GLU 27 27.058 6.379 2.091 208 H SER 28 HN SER 28 24.261 3.051 0.139 209 HA SER 28 HA SER 28 25.346 3.175 -2.561 210 1HB SER 28 HB2 SER 28 24.824 0.755 -2.632 211 2HB SER 28 HB1 SER 28 25.827 1.178 -1.245 212 HG SER 28 HG SER 28 24.214 0.737 0.080 213 H ALA 29 HN ALA 29 22.420 3.940 -1.119 214 HA ALA 29 HA ALA 29 20.519 2.822 -2.859 215 1HB ALA 29 HB2 ALA 29 19.827 3.858 -0.802 216 2HB ALA 29 HB3 ALA 29 19.047 4.682 -2.150 217 3HB ALA 29 HB1 ALA 29 20.427 5.424 -1.342 218 H LYS 30 HN LYS 30 22.517 5.722 -3.173 219 HA LYS 30 HA LYS 30 21.251 6.973 -5.291 220 1HB LYS 30 HB2 LYS 30 23.782 7.162 -3.990 221 2HB LYS 30 HB1 LYS 30 24.060 7.185 -5.725 222 1HG LYS 30 HG2 LYS 30 21.921 8.931 -4.633 223 2HG LYS 30 HG1 LYS 30 23.602 9.391 -4.356 224 1HD LYS 30 HD2 LYS 30 23.326 10.423 -6.356 225 2HD LYS 30 HD1 LYS 30 23.739 8.821 -6.969 226 1HE LYS 30 HE2 LYS 30 21.004 8.692 -6.538 227 2HE LYS 30 HE1 LYS 30 21.256 10.314 -7.180 228 1HZ LYS 30 HZ1 LYS 30 22.557 9.233 -9.005 229 2HZ LYS 30 HZ3 LYS 30 22.005 7.737 -8.439 230 3HZ LYS 30 HZ2 LYS 30 20.903 8.885 -9.010 231 H THR 31 HN THR 31 23.804 4.502 -5.489 232 HA THR 31 HA THR 31 24.070 4.274 -8.219 233 HB THR 31 HB THR 31 24.000 1.885 -6.369 234 HG1 THR 31 HG1 THR 31 25.496 2.883 -5.299 235 1HG2 THR 31 3HG2 THR 31 25.690 2.476 -8.786 236 2HG2 THR 31 2HG2 THR 31 25.811 1.046 -7.762 237 3HG2 THR 31 1HG2 THR 31 24.349 1.333 -8.706 238 H ALA 32 HN ALA 32 21.596 2.955 -6.096 239 HA ALA 32 HA ALA 32 20.264 1.347 -7.993 240 1HB ALA 32 HB2 ALA 32 18.743 2.701 -5.813 241 2HB ALA 32 HB1 ALA 32 18.632 1.042 -6.402 242 3HB ALA 32 HB3 ALA 32 19.991 1.530 -5.391 243 H ALA 33 HN ALA 33 19.818 4.744 -7.019 244 HA ALA 33 HA ALA 33 17.555 5.387 -8.451 245 1HB ALA 33 HB2 ALA 33 18.767 6.904 -6.892 246 2HB ALA 33 HB1 ALA 33 19.947 7.194 -8.169 247 3HB ALA 33 HB3 ALA 33 18.266 7.676 -8.398 248 H GLN 34 HN GLN 34 20.901 5.655 -9.650 249 HA GLN 34 HA GLN 34 20.146 6.330 -12.291 250 1HB GLN 34 HB2 GLN 34 22.690 5.029 -11.286 251 2HB GLN 34 HB1 GLN 34 22.473 5.708 -12.893 252 1HG GLN 34 HG2 GLN 34 22.877 7.776 -12.186 253 2HG GLN 34 HG1 GLN 34 21.805 7.601 -10.798 254 1HE2 GLN 34 1HE2 GLN 34 24.936 8.086 -11.726 255 2HE2 GLN 34 2HE2 GLN 34 25.739 7.597 -10.276 256 H ASN 35 HN ASN 35 20.748 3.286 -10.635 257 HA ASN 35 HA ASN 35 20.686 1.593 -12.888 258 1HB ASN 35 HB2 ASN 35 21.430 1.002 -10.517 259 2HB ASN 35 HB1 ASN 35 19.722 0.812 -10.137 260 1HD2 ASN 35 1HD2 ASN 35 18.624 -0.965 -10.872 261 2HD2 ASN 35 2HD2 ASN 35 19.396 -2.295 -11.659 262 H LEU 36 HN LEU 36 18.165 3.151 -11.101 263 HA LEU 36 HA LEU 36 15.955 1.579 -11.761 264 1HB LEU 36 HB2 LEU 36 16.103 3.637 -10.201 265 2HB LEU 36 HB1 LEU 36 15.856 4.585 -11.654 266 HG LEU 36 HG LEU 36 13.905 2.412 -11.122 267 1HD1 LEU 36 2HD1 LEU 36 13.937 4.996 -9.571 268 2HD1 LEU 36 1HD1 LEU 36 12.616 3.827 -9.601 269 3HD1 LEU 36 3HD1 LEU 36 14.174 3.379 -8.907 270 1HD2 LEU 36 3HD2 LEU 36 13.746 5.230 -12.178 271 2HD2 LEU 36 2HD2 LEU 36 13.649 3.734 -13.106 272 3HD2 LEU 36 1HD2 LEU 36 12.359 4.158 -11.981 273 H TYR 37 HN TYR 37 17.530 4.267 -13.385 274 HA TYR 37 HA TYR 37 15.872 4.332 -15.686 275 1HB TYR 37 HB2 TYR 37 18.718 5.248 -15.224 276 2HB TYR 37 HB1 TYR 37 17.857 5.510 -16.736 277 HD1 TYR 37 HD1 TYR 37 18.237 6.560 -13.276 278 HD2 TYR 37 HD2 TYR 37 15.920 7.038 -16.811 279 HE1 TYR 37 HE1 TYR 37 17.270 8.624 -12.354 280 HE2 TYR 37 HE2 TYR 37 14.948 9.104 -15.902 281 HH TYR 37 HH TYR 37 16.004 10.902 -13.877 282 H GLU 38 HN GLU 38 18.778 2.586 -14.786 283 HA GLU 38 HA GLU 38 19.485 1.480 -17.245 284 1HB GLU 38 HB2 GLU 38 20.573 1.384 -14.792 285 2HB GLU 38 HB1 GLU 38 19.847 -0.215 -14.836 286 1HG GLU 38 HG2 GLU 38 21.885 0.915 -16.736 287 2HG GLU 38 HG1 GLU 38 22.113 -0.381 -15.563 288 H LYS 39 HN LYS 39 17.493 0.033 -14.685 289 HA LYS 39 HA LYS 39 16.843 -2.333 -16.007 290 1HB LYS 39 HB2 LYS 39 16.467 -1.786 -13.573 291 2HB LYS 39 HB1 LYS 39 15.049 -0.874 -14.067 292 1HG LYS 39 HG2 LYS 39 13.819 -2.722 -14.422 293 2HG LYS 39 HG1 LYS 39 15.181 -3.634 -15.075 294 1HD LYS 39 HD2 LYS 39 15.963 -4.207 -12.931 295 2HD LYS 39 HD1 LYS 39 14.960 -2.983 -12.150 296 1HE LYS 39 HE2 LYS 39 13.900 -5.043 -11.715 297 2HE LYS 39 HE1 LYS 39 12.957 -4.284 -12.995 298 1HZ LYS 39 HZ3 LYS 39 15.052 -6.338 -13.454 299 2HZ LYS 39 HZ2 LYS 39 13.395 -6.664 -13.377 300 3HZ LYS 39 HZ1 LYS 39 14.005 -5.684 -14.611 301 H THR 40 HN THR 40 15.809 0.858 -16.715 302 HA THR 40 HA THR 40 13.248 0.201 -17.806 303 HB THR 40 HB THR 40 14.933 2.581 -18.575 304 HG1 THR 40 HG1 THR 40 13.322 2.231 -16.267 305 1HG2 THR 40 2HG2 THR 40 11.955 2.214 -18.371 306 2HG2 THR 40 1HG2 THR 40 12.777 3.733 -18.725 307 3HG2 THR 40 3HG2 THR 40 12.897 2.382 -19.852 308 H TYR 41 HN TYR 41 16.464 0.698 -19.152 309 HA TYR 41 HA TYR 41 15.773 0.302 -21.865 310 1HB TYR 41 HB2 TYR 41 18.494 -0.323 -20.738 311 2HB TYR 41 HB1 TYR 41 18.083 0.307 -22.328 312 HD1 TYR 41 HD1 TYR 41 16.654 2.651 -22.086 313 HD2 TYR 41 HD2 TYR 41 19.568 1.169 -19.364 314 HE1 TYR 41 HE1 TYR 41 17.055 4.938 -21.278 315 HE2 TYR 41 HE2 TYR 41 19.977 3.451 -18.548 316 HH TYR 41 HH TYR 41 18.090 5.851 -18.771 317 H LEU 42 HN LEU 42 17.068 -1.929 -19.407 318 HA LEU 42 HA LEU 42 17.042 -4.161 -21.238 319 1HB LEU 42 HB2 LEU 42 17.828 -3.750 -18.390 320 2HB LEU 42 HB1 LEU 42 17.525 -5.382 -18.953 321 HG LEU 42 HG LEU 42 19.234 -5.022 -20.741 322 1HD1 LEU 42 3HD1 LEU 42 19.446 -2.389 -19.343 323 2HD1 LEU 42 2HD1 LEU 42 20.863 -3.099 -20.117 324 3HD1 LEU 42 1HD1 LEU 42 19.423 -2.744 -21.070 325 1HD2 LEU 42 3HD2 LEU 42 20.143 -4.691 -17.884 326 2HD2 LEU 42 2HD2 LEU 42 19.808 -6.213 -18.712 327 3HD2 LEU 42 1HD2 LEU 42 21.164 -5.210 -19.226 328 HA PRO 43 HA PRO 43 13.005 -5.642 -20.094 329 1HB PRO 43 HB2 PRO 43 13.015 -7.930 -21.452 330 2HB PRO 43 HB1 PRO 43 13.125 -6.381 -22.293 331 1HG PRO 43 HG2 PRO 43 15.250 -8.389 -21.739 332 2HG PRO 43 HG1 PRO 43 15.053 -7.315 -23.133 333 1HD PRO 43 HD2 PRO 43 16.729 -6.902 -20.887 334 2HD PRO 43 HD1 PRO 43 16.359 -5.735 -22.170 335 H ALA 44 HN ALA 44 15.160 -6.185 -18.103 336 HA ALA 44 HA ALA 44 15.101 -8.882 -17.263 337 1HB ALA 44 HB3 ALA 44 15.798 -6.334 -15.830 338 2HB ALA 44 HB2 ALA 44 15.926 -7.923 -15.077 339 3HB ALA 44 HB1 ALA 44 16.888 -7.544 -16.504 340 H VAL 45 HN VAL 45 12.749 -6.423 -17.012 341 HA VAL 45 HA VAL 45 11.436 -6.585 -14.702 342 HB VAL 45 HB VAL 45 10.085 -6.758 -17.399 343 1HG1 VAL 45 3HG1 VAL 45 9.044 -6.053 -14.668 344 2HG1 VAL 45 2HG1 VAL 45 8.241 -5.529 -16.148 345 3HG1 VAL 45 1HG1 VAL 45 8.424 -7.249 -15.807 346 1HG2 VAL 45 3HG2 VAL 45 11.197 -4.485 -15.795 347 2HG2 VAL 45 2HG2 VAL 45 11.401 -4.846 -17.508 348 3HG2 VAL 45 1HG2 VAL 45 9.861 -4.225 -16.916 349 H ASP 46 HN ASP 46 10.585 -8.871 -17.324 350 HA ASP 46 HA ASP 46 9.115 -10.548 -15.540 351 1HB ASP 46 HB2 ASP 46 9.990 -10.896 -18.406 352 2HB ASP 46 HB1 ASP 46 9.031 -12.094 -17.543 353 H GLU 47 HN GLU 47 12.447 -10.477 -16.575 354 HA GLU 47 HA GLU 47 13.050 -13.208 -16.070 355 1HB GLU 47 HB2 GLU 47 14.497 -11.749 -17.431 356 2HB GLU 47 HB1 GLU 47 14.892 -10.809 -16.000 357 1HG GLU 47 HG2 GLU 47 16.630 -12.455 -16.694 358 2HG GLU 47 HG1 GLU 47 16.076 -12.621 -15.030 359 H LYS 48 HN LYS 48 13.628 -10.289 -14.091 360 HA LYS 48 HA LYS 48 14.622 -11.619 -11.833 361 1HB LYS 48 HB2 LYS 48 13.776 -8.934 -12.514 362 2HB LYS 48 HB1 LYS 48 13.283 -9.352 -10.879 363 1HG LYS 48 HG2 LYS 48 15.329 -8.625 -10.336 364 2HG LYS 48 HG1 LYS 48 15.837 -10.231 -10.861 365 1HD LYS 48 HD2 LYS 48 15.620 -8.408 -13.098 366 2HD LYS 48 HD1 LYS 48 16.712 -7.782 -11.863 367 1HE LYS 48 HE2 LYS 48 18.129 -9.049 -13.183 368 2HE LYS 48 HE1 LYS 48 17.715 -10.171 -11.887 369 1HZ LYS 48 HZ3 LYS 48 16.171 -10.122 -14.405 370 2HZ LYS 48 HZ2 LYS 48 17.609 -11.002 -14.285 371 3HZ LYS 48 HZ1 LYS 48 16.309 -11.370 -13.269 372 H LEU 49 HN LEU 49 11.377 -11.262 -13.003 373 HA LEU 49 HA LEU 49 9.966 -11.644 -10.594 374 1HB LEU 49 HB2 LEU 49 9.357 -11.493 -13.400 375 2HB LEU 49 HB1 LEU 49 8.509 -12.857 -12.697 376 HG LEU 49 HG LEU 49 7.722 -11.177 -10.898 377 1HD1 LEU 49 3HD1 LEU 49 9.343 -9.415 -11.663 378 2HD1 LEU 49 2HD1 LEU 49 8.334 -9.214 -13.095 379 3HD1 LEU 49 1HD1 LEU 49 7.671 -8.882 -11.495 380 1HD2 LEU 49 2HD2 LEU 49 6.260 -12.198 -12.565 381 2HD2 LEU 49 1HD2 LEU 49 5.830 -10.510 -12.291 382 3HD2 LEU 49 3HD2 LEU 49 6.727 -10.968 -13.738 383 H ARG 50 HN ARG 50 10.495 -14.005 -13.225 384 HA ARG 50 HA ARG 50 9.863 -16.261 -11.647 385 1HB ARG 50 HB2 ARG 50 10.286 -15.837 -14.313 386 2HB ARG 50 HB1 ARG 50 11.753 -16.696 -13.867 387 1HG ARG 50 HG2 ARG 50 9.131 -17.791 -12.982 388 2HG ARG 50 HG1 ARG 50 9.614 -17.981 -14.668 389 1HD ARG 50 HD2 ARG 50 10.602 -19.855 -13.889 390 2HD ARG 50 HD1 ARG 50 11.890 -18.736 -13.448 391 HE ARG 50 HE ARG 50 11.385 -19.068 -11.238 392 1HH1 ARG 50 1HH1 ARG 50 8.761 -20.337 -13.180 393 2HH1 ARG 50 2HH1 ARG 50 7.978 -21.103 -11.840 394 1HH2 ARG 50 1HH2 ARG 50 10.350 -20.083 -9.480 395 2HH2 ARG 50 2HH2 ARG 50 8.879 -20.958 -9.739 396 H ASP 51 HN ASP 51 12.834 -14.487 -12.230 397 HA ASP 51 HA ASP 51 14.724 -16.323 -11.327 398 1HB ASP 51 HB2 ASP 51 15.477 -14.316 -12.384 399 2HB ASP 51 HB1 ASP 51 14.668 -13.307 -11.192 400 H LEU 52 HN LEU 52 13.203 -13.705 -9.435 401 HA LEU 52 HA LEU 52 14.215 -14.580 -6.945 402 1HB LEU 52 HB2 LEU 52 11.836 -12.839 -7.594 403 2HB LEU 52 HB1 LEU 52 12.479 -13.070 -5.980 404 HG LEU 52 HG LEU 52 14.222 -12.010 -8.183 405 1HD1 LEU 52 3HD1 LEU 52 12.210 -10.606 -8.107 406 2HD1 LEU 52 2HD1 LEU 52 12.456 -10.364 -6.378 407 3HD1 LEU 52 1HD1 LEU 52 13.641 -9.751 -7.531 408 1HD2 LEU 52 1HD2 LEU 52 14.251 -11.712 -5.181 409 2HD2 LEU 52 3HD2 LEU 52 15.312 -12.747 -6.137 410 3HD2 LEU 52 2HD2 LEU 52 15.412 -10.994 -6.297 411 H TYR 53 HN TYR 53 11.463 -15.541 -8.839 412 HA TYR 53 HA TYR 53 9.909 -16.697 -6.768 413 1HB TYR 53 HB2 TYR 53 9.759 -16.441 -9.621 414 2HB TYR 53 HB1 TYR 53 9.449 -18.116 -9.181 415 HD1 TYR 53 HD1 TYR 53 7.555 -18.673 -7.686 416 HD2 TYR 53 HD2 TYR 53 8.183 -14.715 -9.116 417 HE1 TYR 53 HE1 TYR 53 5.247 -18.089 -7.068 418 HE2 TYR 53 HE2 TYR 53 5.879 -14.121 -8.503 419 HH TYR 53 HH TYR 53 3.548 -15.913 -8.145 420 H SER 54 HN SER 54 12.408 -17.983 -8.930 421 HA SER 54 HA SER 54 12.193 -20.689 -8.212 422 1HB SER 54 HB2 SER 54 14.643 -19.159 -9.127 423 2HB SER 54 HB1 SER 54 14.485 -20.915 -9.105 424 HG SER 54 HG SER 54 12.985 -20.806 -10.706 425 H LYS 55 HN LYS 55 14.378 -18.157 -6.966 426 HA LYS 55 HA LYS 55 15.636 -19.743 -5.015 427 1HB LYS 55 HB2 LYS 55 15.445 -16.873 -5.642 428 2HB LYS 55 HB1 LYS 55 15.748 -17.227 -3.947 429 1HG LYS 55 HG2 LYS 55 17.862 -17.792 -4.339 430 2HG LYS 55 HG1 LYS 55 17.426 -18.799 -5.720 431 1HD LYS 55 HD2 LYS 55 17.419 -16.920 -7.187 432 2HD LYS 55 HD1 LYS 55 17.550 -15.790 -5.837 433 1HE LYS 55 HE2 LYS 55 19.778 -16.572 -5.341 434 2HE LYS 55 HE1 LYS 55 19.650 -17.825 -6.575 435 1HZ LYS 55 HZ2 LYS 55 19.606 -14.898 -7.086 436 2HZ LYS 55 HZ1 LYS 55 20.925 -15.921 -7.353 437 3HZ LYS 55 HZ3 LYS 55 19.511 -16.108 -8.263 438 H SER 56 HN SER 56 12.819 -17.580 -4.798 439 HA SER 56 HA SER 56 12.373 -17.868 -2.040 440 1HB SER 56 HB2 SER 56 10.197 -16.896 -2.437 441 2HB SER 56 HB1 SER 56 11.377 -16.093 -3.472 442 HG SER 56 HG SER 56 9.491 -16.622 -4.628 443 H THR 57 HN THR 57 11.800 -20.167 -4.557 444 HA THR 57 HA THR 57 9.554 -21.503 -3.584 445 HB THR 57 HB THR 57 11.957 -22.652 -5.022 446 HG1 THR 57 HG1 THR 57 11.131 -21.363 -6.487 447 1HG2 THR 57 3HG2 THR 57 9.204 -23.786 -4.622 448 2HG2 THR 57 2HG2 THR 57 10.334 -24.349 -5.853 449 3HG2 THR 57 1HG2 THR 57 10.747 -24.497 -4.146 450 H ALA 58 HN ALA 58 12.990 -22.310 -3.004 451 HA ALA 58 HA ALA 58 12.233 -24.067 -0.816 452 1HB ALA 58 HB2 ALA 58 13.971 -24.790 -2.367 453 2HB ALA 58 HB1 ALA 58 14.959 -23.401 -1.918 454 3HB ALA 58 HB3 ALA 58 14.602 -24.650 -0.726 455 H ALA 59 HN ALA 59 14.024 -21.038 -1.283 456 HA ALA 59 HA ALA 59 14.878 -20.694 1.373 457 1HB ALA 59 HB1 ALA 59 15.310 -18.388 0.775 458 2HB ALA 59 HB2 ALA 59 14.303 -18.547 -0.664 459 3HB ALA 59 HB3 ALA 59 15.807 -19.457 -0.536 460 H MET 60 HN MET 60 12.188 -18.991 -0.268 461 HA MET 60 HA MET 60 11.157 -17.822 2.064 462 1HB MET 60 HB2 MET 60 10.659 -17.487 -0.556 463 2HB MET 60 HB1 MET 60 9.247 -18.438 -0.115 464 1HG MET 60 HG2 MET 60 8.603 -16.192 0.083 465 2HG MET 60 HG1 MET 60 8.850 -16.767 1.731 466 1HE MET 60 HE1 MET 60 10.038 -14.718 -1.196 467 2HE MET 60 HE3 MET 60 11.373 -13.738 -0.591 468 3HE MET 60 HE2 MET 60 11.635 -15.437 -0.986 469 H SER 61 HN SER 61 10.819 -21.059 0.863 470 HA SER 61 HA SER 61 8.348 -21.709 2.088 471 1HB SER 61 HB2 SER 61 10.500 -23.147 0.726 472 2HB SER 61 HB1 SER 61 9.756 -24.087 2.018 473 HG SER 61 HG SER 61 8.688 -23.207 -0.384 474 H THR 62 HN THR 62 11.421 -21.108 3.445 475 HA THR 62 HA THR 62 10.890 -22.699 5.837 476 HB THR 62 HB THR 62 13.285 -20.937 5.295 477 HG1 THR 62 HG1 THR 62 13.580 -22.352 3.741 478 1HG2 THR 62 2HG2 THR 62 12.871 -23.268 7.146 479 2HG2 THR 62 1HG2 THR 62 14.432 -22.524 6.802 480 3HG2 THR 62 3HG2 THR 62 13.163 -21.588 7.592 481 H TYR 63 HN TYR 63 11.676 -19.331 4.979 482 HA TYR 63 HA TYR 63 11.090 -18.244 7.503 483 1HB TYR 63 HB2 TYR 63 12.465 -17.190 5.620 484 2HB TYR 63 HB1 TYR 63 10.925 -16.733 4.899 485 HD1 TYR 63 HD1 TYR 63 9.789 -14.805 5.622 486 HD2 TYR 63 HD2 TYR 63 12.995 -16.343 7.959 487 HE1 TYR 63 HE1 TYR 63 9.726 -12.788 7.026 488 HE2 TYR 63 HE2 TYR 63 12.940 -14.330 9.369 489 HH TYR 63 HH TYR 63 10.749 -12.472 9.842 490 H THR 64 HN THR 64 9.049 -19.325 4.940 491 HA THR 64 HA THR 64 6.852 -17.602 5.483 492 HB THR 64 HB THR 64 7.183 -20.161 3.964 493 HG1 THR 64 HG1 THR 64 7.540 -18.481 2.685 494 1HG2 THR 64 2HG2 THR 64 4.547 -18.958 4.741 495 2HG2 THR 64 1HG2 THR 64 4.757 -19.928 3.283 496 3HG2 THR 64 3HG2 THR 64 5.071 -20.637 4.867 497 H GLY 65 HN GLY 65 7.368 -21.036 6.270 498 1HA GLY 65 HA1 GLY 65 6.573 -22.305 8.017 499 2HA GLY 65 HA2 GLY 65 5.200 -21.206 8.078 500 H ILE 66 HN ILE 66 8.610 -20.383 8.474 501 HA ILE 66 HA ILE 66 8.643 -20.310 11.302 502 HB ILE 66 HB ILE 66 10.442 -19.370 9.142 503 1HG1 ILE 66 2HG1 ILE 66 12.115 -20.403 10.782 504 2HG1 ILE 66 1HG1 ILE 66 10.715 -20.897 11.728 505 1HG2 ILE 66 1HG2 ILE 66 10.395 -18.082 11.853 506 2HG2 ILE 66 3HG2 ILE 66 11.876 -18.196 10.903 507 3HG2 ILE 66 2HG2 ILE 66 10.487 -17.317 10.268 508 1HD1 ILE 66 1HD1 ILE 66 9.894 -22.041 9.613 509 2HD1 ILE 66 3HD1 ILE 66 11.521 -21.784 8.983 510 3HD1 ILE 66 2HD1 ILE 66 11.282 -22.757 10.434 511 H PHE 67 HN PHE 67 8.479 -17.634 8.942 512 HA PHE 67 HA PHE 67 8.074 -15.533 10.696 513 1HB PHE 67 HB2 PHE 67 8.438 -15.230 8.280 514 2HB PHE 67 HB1 PHE 67 6.823 -15.853 7.957 515 HD1 PHE 67 HD1 PHE 67 8.695 -13.073 9.510 516 HD2 PHE 67 HD2 PHE 67 4.929 -14.462 8.097 517 HE1 PHE 67 HE1 PHE 67 7.783 -10.798 9.717 518 HE2 PHE 67 HE2 PHE 67 4.010 -12.189 8.300 519 HZ PHE 67 HZ PHE 67 5.438 -10.354 9.111 520 H THR 68 HN THR 68 5.536 -17.434 9.063 521 HA THR 68 HA THR 68 3.383 -16.227 10.413 522 HB THR 68 HB THR 68 2.041 -18.136 9.595 523 HG1 THR 68 HG1 THR 68 3.245 -19.896 9.596 524 1HG2 THR 68 2HG2 THR 68 3.948 -16.957 7.594 525 2HG2 THR 68 1HG2 THR 68 2.543 -17.932 7.165 526 3HG2 THR 68 3HG2 THR 68 2.327 -16.396 8.004 527 H ASP 69 HN ASP 69 5.612 -18.640 11.413 528 HA ASP 69 HA ASP 69 4.080 -20.084 13.259 529 1HB ASP 69 HB2 ASP 69 6.440 -20.621 12.570 530 2HB ASP 69 HB1 ASP 69 6.985 -19.318 13.620 531 H GLN 70 HN GLN 70 6.116 -17.215 13.849 532 HA GLN 70 HA GLN 70 5.225 -16.862 16.528 533 1HB GLN 70 HB2 GLN 70 6.631 -14.974 14.632 534 2HB GLN 70 HB1 GLN 70 6.331 -14.622 16.328 535 1HG GLN 70 HG2 GLN 70 8.456 -15.404 16.468 536 2HG GLN 70 HG1 GLN 70 7.575 -16.916 16.677 537 1HE2 GLN 70 1HE2 GLN 70 8.327 -18.540 15.523 538 2HE2 GLN 70 2HE2 GLN 70 9.141 -18.423 14.003 539 H VAL 71 HN VAL 71 4.019 -15.829 13.442 540 HA VAL 71 HA VAL 71 2.401 -13.668 14.332 541 HB VAL 71 HB VAL 71 2.100 -15.424 11.881 542 1HG1 VAL 71 1HG1 VAL 71 0.710 -12.883 12.694 543 2HG1 VAL 71 3HG1 VAL 71 0.785 -13.436 11.021 544 3HG1 VAL 71 2HG1 VAL 71 -0.011 -14.428 12.242 545 1HG2 VAL 71 2HG2 VAL 71 4.187 -13.860 12.321 546 2HG2 VAL 71 1HG2 VAL 71 3.447 -13.982 10.726 547 3HG2 VAL 71 3HG2 VAL 71 3.068 -12.613 11.771 548 H LEU 72 HN LEU 72 1.688 -17.036 13.494 549 HA LEU 72 HA LEU 72 -0.993 -17.090 14.281 550 1HB LEU 72 HB2 LEU 72 0.232 -18.858 12.964 551 2HB LEU 72 HB1 LEU 72 0.965 -19.382 14.467 552 HG LEU 72 HG LEU 72 -1.496 -19.647 15.285 553 1HD1 LEU 72 3HD1 LEU 72 -1.846 -19.745 12.292 554 2HD1 LEU 72 2HD1 LEU 72 -3.042 -20.260 13.482 555 3HD1 LEU 72 1HD1 LEU 72 -2.560 -18.566 13.392 556 1HD2 LEU 72 2HD2 LEU 72 -0.261 -21.530 13.278 557 2HD2 LEU 72 1HD2 LEU 72 0.070 -21.488 15.010 558 3HD2 LEU 72 3HD2 LEU 72 -1.532 -21.943 14.428 559 H SER 73 HN SER 73 2.015 -17.407 16.064 560 HA SER 73 HA SER 73 0.995 -18.392 18.474 561 1HB SER 73 HB2 SER 73 3.113 -18.161 19.233 562 2HB SER 73 HB1 SER 73 3.492 -17.693 17.578 563 HG SER 73 HG SER 73 3.550 -15.608 18.161 564 H VAL 74 HN VAL 74 1.171 -15.085 17.255 565 HA VAL 74 HA VAL 74 0.250 -13.904 19.695 566 HB VAL 74 HB VAL 74 0.132 -11.839 18.583 567 1HG1 VAL 74 3HG1 VAL 74 2.410 -13.199 18.597 568 2HG1 VAL 74 2HG1 VAL 74 2.245 -12.991 16.853 569 3HG1 VAL 74 1HG1 VAL 74 2.284 -11.579 17.910 570 1HG2 VAL 74 3HG2 VAL 74 -0.882 -13.331 16.403 571 2HG2 VAL 74 2HG2 VAL 74 -0.810 -11.580 16.592 572 3HG2 VAL 74 1HG2 VAL 74 0.524 -12.439 15.824 573 H LEU 75 HN LEU 75 -1.308 -15.635 17.200 574 HA LEU 75 HA LEU 75 -3.859 -14.419 17.236 575 1HB LEU 75 HB2 LEU 75 -2.723 -16.352 15.732 576 2HB LEU 75 HB1 LEU 75 -3.705 -17.340 16.794 577 HG LEU 75 HG LEU 75 -4.836 -16.830 14.672 578 1HD1 LEU 75 3HD1 LEU 75 -6.115 -17.214 16.761 579 2HD1 LEU 75 2HD1 LEU 75 -6.181 -15.468 16.998 580 3HD1 LEU 75 1HD1 LEU 75 -6.958 -16.196 15.593 581 1HD2 LEU 75 3HD2 LEU 75 -3.801 -14.609 14.323 582 2HD2 LEU 75 2HD2 LEU 75 -5.555 -14.596 14.132 583 3HD2 LEU 75 1HD2 LEU 75 -4.823 -13.963 15.607 584 H LYS 76 HN LYS 76 -2.377 -16.967 19.109 585 HA LYS 76 HA LYS 76 -4.712 -17.680 20.586 586 1HB LYS 76 HB2 LYS 76 -1.797 -18.139 21.253 587 2HB LYS 76 HB1 LYS 76 -3.161 -18.922 22.040 588 1HG LYS 76 HG2 LYS 76 -2.916 -20.559 20.562 589 2HG LYS 76 HG1 LYS 76 -3.570 -19.447 19.359 590 1HD LYS 76 HD2 LYS 76 -1.125 -18.623 19.140 591 2HD LYS 76 HD1 LYS 76 -0.711 -20.143 19.935 592 1HE LYS 76 HE2 LYS 76 -2.511 -20.108 17.540 593 2HE LYS 76 HE1 LYS 76 -0.760 -20.042 17.348 594 1HZ LYS 76 HZ1 LYS 76 -0.631 -22.106 18.676 595 2HZ LYS 76 HZ3 LYS 76 -2.320 -22.189 18.679 596 3HZ LYS 76 HZ2 LYS 76 -1.469 -22.304 17.223 597 H GLY 77 HN GLY 77 -1.893 -15.625 21.310 598 1HA GLY 77 HA1 GLY 77 -1.543 -14.037 22.928 599 2HA GLY 77 HA2 GLY 77 -2.638 -14.958 23.947 600 H GLU 78 HN GLU 78 -3.179 -13.218 20.885 601 HA GLU 78 HA GLU 78 -4.585 -11.064 22.105 602 1HB GLU 78 HB2 GLU 78 -3.486 -10.724 19.983 603 2HB GLU 78 HB1 GLU 78 -4.440 -11.994 19.234 604 1HG GLU 78 HG2 GLU 78 -5.262 -9.838 18.554 605 2HG GLU 78 HG1 GLU 78 -6.465 -10.645 19.556 606 H GLU 79 HN GLU 79 -5.709 -13.807 20.102 607 HA GLU 79 HA GLU 79 -8.430 -13.342 21.110 608 1HB GLU 79 HB2 GLU 79 -7.523 -15.030 18.769 609 2HB GLU 79 HB1 GLU 79 -9.190 -14.723 19.233 610 1HG GLU 79 HG2 GLU 79 -9.170 -13.000 17.847 611 2HG GLU 79 HG1 GLU 79 -8.063 -12.198 18.959 No H/Q in entry = 611 Start of MODEL 8 1 H1 THR 1 HT2 THR 1 6.899 18.458 17.051 2 H2 THR 1 HT1 THR 1 6.546 19.045 18.626 3 H3 THR 1 HT3 THR 1 8.119 19.239 17.973 4 HA THR 1 HA THR 1 8.159 17.505 19.535 5 HB THR 1 HB THR 1 5.702 17.063 19.380 6 HG1 THR 1 HG1 THR 1 6.691 15.526 20.512 7 1HG2 THR 1 2HG2 THR 1 5.537 16.878 16.918 8 2HG2 THR 1 1HG2 THR 1 6.391 15.339 17.014 9 3HG2 THR 1 3HG2 THR 1 4.814 15.523 17.781 10 H GLN 2 HN GLN 2 9.447 15.627 19.244 11 HA GLN 2 HA GLN 2 10.856 15.593 16.725 12 1HB GLN 2 HB2 GLN 2 12.008 15.419 18.936 13 2HB GLN 2 HB1 GLN 2 11.272 13.836 19.150 14 1HG GLN 2 HG2 GLN 2 12.420 13.078 17.090 15 2HG GLN 2 HG1 GLN 2 13.232 14.640 17.013 16 1HE2 GLN 2 1HE2 GLN 2 14.507 15.242 18.959 17 2HE2 GLN 2 2HE2 GLN 2 15.370 13.986 19.774 18 H GLN 3 HN GLN 3 10.632 14.171 15.110 19 HA GLN 3 HA GLN 3 8.472 12.295 15.163 20 1HB GLN 3 HB2 GLN 3 10.447 13.221 13.136 21 2HB GLN 3 HB1 GLN 3 9.670 11.668 12.862 22 1HG GLN 3 HG2 GLN 3 8.454 13.396 11.723 23 2HG GLN 3 HG1 GLN 3 7.474 12.755 13.041 24 1HE2 GLN 3 1HE2 GLN 3 6.962 14.062 14.771 25 2HE2 GLN 3 2HE2 GLN 3 7.265 15.763 14.785 26 HA PRO 4 HA PRO 4 11.861 8.937 15.071 27 1HB PRO 4 HB2 PRO 4 14.461 9.555 14.997 28 2HB PRO 4 HB1 PRO 4 13.462 9.624 13.540 29 1HG PRO 4 HG2 PRO 4 14.375 11.852 15.318 30 2HG PRO 4 HG1 PRO 4 14.299 11.791 13.548 31 1HD PRO 4 HD2 PRO 4 12.399 12.982 15.151 32 2HD PRO 4 HD1 PRO 4 12.097 12.387 13.509 33 H GLN 5 HN GLN 5 10.778 9.740 17.359 34 HA GLN 5 HA GLN 5 12.642 10.351 19.433 35 1HB GLN 5 HB2 GLN 5 9.760 9.533 19.355 36 2HB GLN 5 HB1 GLN 5 10.626 9.528 20.884 37 1HG GLN 5 HG2 GLN 5 10.714 11.958 19.164 38 2HG GLN 5 HG1 GLN 5 9.274 11.622 20.124 39 1HE2 GLN 5 1HE2 GLN 5 9.463 11.551 22.407 40 2HE2 GLN 5 2HE2 GLN 5 10.765 12.350 23.214 41 H GLN 6 HN GLN 6 14.170 8.975 20.052 42 HA GLN 6 HA GLN 6 14.072 6.171 19.636 43 1HB GLN 6 HB2 GLN 6 15.972 8.115 20.665 44 2HB GLN 6 HB1 GLN 6 16.015 6.617 21.584 45 1HG GLN 6 HG2 GLN 6 17.390 5.869 20.011 46 2HG GLN 6 HG1 GLN 6 15.961 5.730 18.989 47 1HE2 GLN 6 1HE2 GLN 6 15.357 8.004 18.016 48 2HE2 GLN 6 2HE2 GLN 6 16.675 8.816 17.252 49 H ASP 7 HN ASP 7 11.906 5.836 20.723 50 HA ASP 7 HA ASP 7 11.702 6.041 23.558 51 1HB ASP 7 HB2 ASP 7 10.049 4.392 21.629 52 2HB ASP 7 HB1 ASP 7 9.620 4.760 23.296 53 H GLU 8 HN GLU 8 13.401 4.972 24.530 54 HA GLU 8 HA GLU 8 14.175 2.320 23.863 55 1HB GLU 8 HB2 GLU 8 14.913 4.318 25.910 56 2HB GLU 8 HB1 GLU 8 15.171 2.639 26.365 57 1HG GLU 8 HG2 GLU 8 17.179 3.558 25.403 58 2HG GLU 8 HG1 GLU 8 16.522 2.307 24.351 59 H MET 9 HN MET 9 12.253 1.106 23.902 60 HA MET 9 HA MET 9 10.594 0.870 26.198 61 1HB MET 9 HB2 MET 9 10.945 -0.817 23.723 62 2HB MET 9 HB1 MET 9 9.810 -1.251 24.992 63 1HG MET 9 HG2 MET 9 8.388 0.461 24.505 64 2HG MET 9 HG1 MET 9 9.667 1.491 23.866 65 1HE MET 9 HE1 MET 9 11.136 0.422 21.793 66 2HE MET 9 HE3 MET 9 10.222 0.231 20.297 67 3HE MET 9 HE2 MET 9 10.110 1.734 21.213 68 HA PRO 10 HA PRO 10 12.464 -2.060 28.922 69 1HB PRO 10 HB2 PRO 10 10.318 -4.023 28.251 70 2HB PRO 10 HB1 PRO 10 10.868 -3.453 29.831 71 1HG PRO 10 HG2 PRO 10 8.587 -2.563 28.794 72 2HG PRO 10 HG1 PRO 10 9.669 -1.471 29.679 73 1HD PRO 10 HD2 PRO 10 9.208 -1.714 26.741 74 2HD PRO 10 HD1 PRO 10 9.541 -0.269 27.718 75 H SER 11 HN SER 11 11.095 -3.811 26.119 76 HA SER 11 HA SER 11 13.172 -5.779 26.099 77 1HB SER 11 HB2 SER 11 12.134 -6.538 23.998 78 2HB SER 11 HB1 SER 11 10.912 -6.267 25.240 79 HG SER 11 HG SER 11 10.915 -5.263 22.855 80 HA PRO 12 HA PRO 12 16.447 -4.151 23.624 81 1HB PRO 12 HB2 PRO 12 15.701 -6.043 21.435 82 2HB PRO 12 HB1 PRO 12 17.277 -5.751 22.181 83 1HG PRO 12 HG2 PRO 12 15.875 -7.920 22.804 84 2HG PRO 12 HG1 PRO 12 16.779 -7.037 24.049 85 1HD PRO 12 HD2 PRO 12 13.845 -7.098 23.519 86 2HD PRO 12 HD1 PRO 12 14.712 -6.962 25.062 87 H THR 13 HN THR 13 15.813 -2.104 23.094 88 HA THR 13 HA THR 13 13.806 -1.518 21.160 89 HB THR 13 HB THR 13 15.940 0.346 22.209 90 HG1 THR 13 HG1 THR 13 14.988 0.161 24.050 91 1HG2 THR 13 1HG2 THR 13 13.187 0.867 21.117 92 2HG2 THR 13 3HG2 THR 13 14.193 2.067 21.927 93 3HG2 THR 13 2HG2 THR 13 14.726 1.352 20.405 94 H PHE 14 HN PHE 14 14.104 -2.082 19.096 95 HA PHE 14 HA PHE 14 16.729 -1.793 17.861 96 1HB PHE 14 HB2 PHE 14 15.131 -3.810 17.551 97 2HB PHE 14 HB1 PHE 14 14.263 -2.758 16.436 98 HD1 PHE 14 HD1 PHE 14 14.998 -2.485 14.235 99 HD2 PHE 14 HD2 PHE 14 17.590 -4.250 17.111 100 HE1 PHE 14 HE1 PHE 14 16.576 -3.075 12.443 101 HE2 PHE 14 HE2 PHE 14 19.174 -4.844 15.324 102 HZ PHE 14 HZ PHE 14 18.669 -4.256 12.988 103 H LEU 15 HN LEU 15 14.131 0.213 18.375 104 HA LEU 15 HA LEU 15 13.739 1.447 15.880 105 1HB LEU 15 HB2 LEU 15 12.252 1.758 17.821 106 2HB LEU 15 HB1 LEU 15 13.519 2.646 18.644 107 HG LEU 15 HG LEU 15 13.407 4.242 16.596 108 1HD1 LEU 15 1HD1 LEU 15 10.714 2.898 16.425 109 2HD1 LEU 15 3HD1 LEU 15 11.184 4.373 15.579 110 3HD1 LEU 15 2HD1 LEU 15 11.986 2.849 15.204 111 1HD2 LEU 15 2HD2 LEU 15 11.237 4.101 18.683 112 2HD2 LEU 15 1HD2 LEU 15 12.793 4.920 18.823 113 3HD2 LEU 15 3HD2 LEU 15 11.585 5.512 17.683 114 H THR 16 HN THR 16 16.067 2.058 18.482 115 HA THR 16 HA THR 16 17.195 4.422 17.506 116 HB THR 16 HB THR 16 18.695 2.228 18.949 117 HG1 THR 16 HG1 THR 16 17.254 2.552 20.438 118 1HG2 THR 16 2HG2 THR 16 19.111 5.181 18.702 119 2HG2 THR 16 1HG2 THR 16 19.764 4.257 20.054 120 3HG2 THR 16 3HG2 THR 16 20.253 3.870 18.404 121 H GLN 17 HN GLN 17 18.043 1.032 16.844 122 HA GLN 17 HA GLN 17 20.251 1.535 15.175 123 1HB GLN 17 HB2 GLN 17 19.529 -0.683 16.221 124 2HB GLN 17 HB1 GLN 17 18.398 -0.826 14.884 125 1HG GLN 17 HG2 GLN 17 20.405 -2.079 14.420 126 2HG GLN 17 HG1 GLN 17 20.265 -0.723 13.302 127 1HE2 GLN 17 1HE2 GLN 17 21.947 -1.958 16.115 128 2HE2 GLN 17 2HE2 GLN 17 23.320 -0.917 15.988 129 H VAL 18 HN VAL 18 16.863 0.816 14.338 130 HA VAL 18 HA VAL 18 16.680 0.752 11.707 131 HB VAL 18 HB VAL 18 14.984 2.539 13.454 132 1HG1 VAL 18 2HG1 VAL 18 14.626 1.677 10.596 133 2HG1 VAL 18 1HG1 VAL 18 13.269 2.168 11.610 134 3HG1 VAL 18 3HG1 VAL 18 14.571 3.308 11.268 135 1HG2 VAL 18 2HG2 VAL 18 15.213 -0.289 13.202 136 2HG2 VAL 18 1HG2 VAL 18 14.116 0.644 14.220 137 3HG2 VAL 18 3HG2 VAL 18 13.639 0.205 12.580 138 H LYS 19 HN LYS 19 17.023 3.896 13.378 139 HA LYS 19 HA LYS 19 17.013 5.566 11.186 140 1HB LYS 19 HB2 LYS 19 18.354 5.743 13.859 141 2HB LYS 19 HB1 LYS 19 18.635 6.993 12.656 142 1HG LYS 19 HG2 LYS 19 16.654 7.937 13.024 143 2HG LYS 19 HG1 LYS 19 15.813 6.386 12.983 144 1HD LYS 19 HD2 LYS 19 17.410 6.626 15.376 145 2HD LYS 19 HD1 LYS 19 16.305 7.993 15.219 146 1HE LYS 19 HE2 LYS 19 15.195 5.304 14.675 147 2HE LYS 19 HE1 LYS 19 15.608 5.668 16.348 148 1HZ LYS 19 HZ3 LYS 19 14.226 7.684 16.157 149 2HZ LYS 19 HZ2 LYS 19 13.756 7.202 14.607 150 3HZ LYS 19 HZ1 LYS 19 13.339 6.260 15.949 151 H GLU 20 HN GLU 20 19.887 4.067 12.674 152 HA GLU 20 HA GLU 20 21.728 5.068 10.782 153 1HB GLU 20 HB2 GLU 20 21.868 2.653 12.589 154 2HB GLU 20 HB1 GLU 20 23.217 3.218 11.615 155 1HG GLU 20 HG2 GLU 20 23.709 4.203 13.607 156 2HG GLU 20 HG1 GLU 20 22.757 5.482 12.854 157 H SER 21 HN SER 21 19.634 2.292 10.819 158 HA SER 21 HA SER 21 20.823 0.790 8.749 159 1HB SER 21 HB2 SER 21 18.907 0.163 10.424 160 2HB SER 21 HB1 SER 21 17.850 0.810 9.170 161 HG SER 21 HG SER 21 18.352 -0.818 7.880 162 H LEU 22 HN LEU 22 18.476 3.424 8.728 163 HA LEU 22 HA LEU 22 17.873 3.268 5.951 164 1HB LEU 22 HB2 LEU 22 17.329 5.168 8.164 165 2HB LEU 22 HB1 LEU 22 17.240 5.810 6.536 166 HG LEU 22 HG LEU 22 15.615 3.943 6.003 167 1HD1 LEU 22 1HD1 LEU 22 15.613 3.665 9.005 168 2HD1 LEU 22 3HD1 LEU 22 14.466 2.908 7.899 169 3HD1 LEU 22 2HD1 LEU 22 16.171 2.457 7.847 170 1HD2 LEU 22 2HD2 LEU 22 15.108 6.393 6.688 171 2HD2 LEU 22 1HD2 LEU 22 13.798 5.213 6.665 172 3HD2 LEU 22 3HD2 LEU 22 14.542 5.672 8.195 173 H SER 23 HN SER 23 20.079 5.295 7.873 174 HA SER 23 HA SER 23 21.013 6.914 5.793 175 1HB SER 23 HB2 SER 23 21.411 7.176 8.314 176 2HB SER 23 HB1 SER 23 22.736 6.031 8.106 177 HG SER 23 HG SER 23 23.858 7.497 7.032 178 H SER 24 HN SER 24 22.323 3.852 7.046 179 HA SER 24 HA SER 24 24.493 3.695 5.245 180 1HB SER 24 HB2 SER 24 24.515 1.263 5.855 181 2HB SER 24 HB1 SER 24 24.501 2.343 7.248 182 HG SER 24 HG SER 24 22.485 0.665 6.267 183 H TYR 25 HN TYR 25 21.118 3.169 4.816 184 HA TYR 25 HA TYR 25 21.364 1.401 2.553 185 1HB TYR 25 HB2 TYR 25 19.375 1.442 4.097 186 2HB TYR 25 HB1 TYR 25 18.942 3.002 3.404 187 HD1 TYR 25 HD1 TYR 25 18.255 3.146 1.023 188 HD2 TYR 25 HD2 TYR 25 18.941 -0.596 2.928 189 HE1 TYR 25 HE1 TYR 25 17.039 2.010 -0.786 190 HE2 TYR 25 HE2 TYR 25 17.728 -1.743 1.123 191 HH TYR 25 HH TYR 25 17.238 -0.778 -1.668 192 H TRP 26 HN TRP 26 20.825 4.864 3.079 193 HA TRP 26 HA TRP 26 20.288 5.560 0.398 194 1HB TRP 26 HB2 TRP 26 21.656 7.381 2.376 195 2HB TRP 26 HB1 TRP 26 20.598 7.826 1.045 196 HD1 TRP 26 HD1 TRP 26 20.356 8.298 4.403 197 HE1 TRP 26 HE1 TRP 26 18.033 7.866 5.417 198 HE3 TRP 26 HE3 TRP 26 18.344 5.460 0.653 199 HZ2 TRP 26 HZ2 TRP 26 15.661 6.506 4.723 200 HZ3 TRP 26 HZ3 TRP 26 16.041 4.634 0.909 201 HH2 TRP 26 HH2 TRP 26 14.728 5.146 2.902 202 H GLU 27 HN GLU 27 23.281 5.298 2.228 203 HA GLU 27 HA GLU 27 25.178 6.447 0.682 204 1HB GLU 27 HB2 GLU 27 25.667 5.254 2.768 205 2HB GLU 27 HB1 GLU 27 25.374 3.716 1.968 206 1HG GLU 27 HG2 GLU 27 27.417 5.500 0.778 207 2HG GLU 27 HG1 GLU 27 27.808 4.719 2.310 208 H SER 28 HN SER 28 24.161 3.058 0.270 209 HA SER 28 HA SER 28 25.340 2.980 -2.383 210 1HB SER 28 HB2 SER 28 24.042 0.893 -0.631 211 2HB SER 28 HB1 SER 28 24.519 0.565 -2.297 212 HG SER 28 HG SER 28 26.593 0.703 -1.752 213 H ALA 29 HN ALA 29 22.343 3.857 -1.093 214 HA ALA 29 HA ALA 29 20.528 2.737 -2.924 215 1HB ALA 29 HB1 ALA 29 19.754 3.814 -0.910 216 2HB ALA 29 HB2 ALA 29 19.034 4.603 -2.312 217 3HB ALA 29 HB3 ALA 29 20.375 5.368 -1.462 218 H LYS 30 HN LYS 30 22.709 5.465 -3.247 219 HA LYS 30 HA LYS 30 21.565 6.843 -5.351 220 1HB LYS 30 HB2 LYS 30 24.405 6.421 -4.504 221 2HB LYS 30 HB1 LYS 30 24.064 7.290 -5.992 222 1HG LYS 30 HG2 LYS 30 24.120 9.055 -4.585 223 2HG LYS 30 HG1 LYS 30 22.423 8.620 -4.376 224 1HD LYS 30 HD2 LYS 30 22.810 8.404 -2.194 225 2HD LYS 30 HD1 LYS 30 23.849 7.026 -2.562 226 1HE LYS 30 HE2 LYS 30 25.697 8.734 -2.956 227 2HE LYS 30 HE1 LYS 30 24.626 9.905 -2.189 228 1HZ LYS 30 HZ2 LYS 30 24.533 8.293 -0.269 229 2HZ LYS 30 HZ1 LYS 30 25.826 7.478 -0.992 230 3HZ LYS 30 HZ3 LYS 30 26.008 9.086 -0.498 231 H THR 31 HN THR 31 23.956 4.215 -5.648 232 HA THR 31 HA THR 31 24.091 4.015 -8.388 233 HB THR 31 HB THR 31 24.647 1.616 -8.061 234 HG1 THR 31 HG1 THR 31 23.534 0.804 -6.448 235 1HG2 THR 31 2HG2 THR 31 26.313 3.455 -7.564 236 2HG2 THR 31 1HG2 THR 31 25.951 3.177 -5.860 237 3HG2 THR 31 3HG2 THR 31 26.625 1.877 -6.843 238 H ALA 32 HN ALA 32 21.615 2.829 -6.204 239 HA ALA 32 HA ALA 32 20.174 1.252 -8.044 240 1HB ALA 32 HB3 ALA 32 18.758 2.735 -5.875 241 2HB ALA 32 HB2 ALA 32 18.549 1.072 -6.426 242 3HB ALA 32 HB1 ALA 32 19.949 1.506 -5.445 243 H ALA 33 HN ALA 33 19.963 4.697 -7.180 244 HA ALA 33 HA ALA 33 17.698 5.440 -8.567 245 1HB ALA 33 HB2 ALA 33 19.148 6.902 -7.106 246 2HB ALA 33 HB1 ALA 33 20.191 7.121 -8.510 247 3HB ALA 33 HB3 ALA 33 18.514 7.665 -8.564 248 H GLN 34 HN GLN 34 21.012 5.501 -9.872 249 HA GLN 34 HA GLN 34 20.203 6.076 -12.517 250 1HB GLN 34 HB2 GLN 34 22.739 4.707 -11.588 251 2HB GLN 34 HB1 GLN 34 22.486 5.453 -13.160 252 1HG GLN 34 HG2 GLN 34 22.900 7.508 -12.389 253 2HG GLN 34 HG1 GLN 34 21.985 7.245 -10.906 254 1HE2 GLN 34 1HE2 GLN 34 23.054 5.988 -9.205 255 2HE2 GLN 34 2HE2 GLN 34 24.767 6.121 -9.030 256 H ASN 35 HN ASN 35 20.684 3.097 -10.725 257 HA ASN 35 HA ASN 35 20.560 1.302 -12.894 258 1HB ASN 35 HB2 ASN 35 21.251 0.799 -10.483 259 2HB ASN 35 HB1 ASN 35 19.530 0.690 -10.126 260 1HD2 ASN 35 1HD2 ASN 35 22.206 -0.750 -11.831 261 2HD2 ASN 35 2HD2 ASN 35 21.446 -2.269 -12.142 262 H LEU 36 HN LEU 36 18.076 3.012 -11.165 263 HA LEU 36 HA LEU 36 15.825 1.498 -11.837 264 1HB LEU 36 HB2 LEU 36 16.073 3.636 -10.333 265 2HB LEU 36 HB1 LEU 36 15.745 4.498 -11.822 266 HG LEU 36 HG LEU 36 13.650 2.942 -11.957 267 1HD1 LEU 36 1HD1 LEU 36 14.281 1.492 -10.100 268 2HD1 LEU 36 3HD1 LEU 36 14.266 2.875 -9.005 269 3HD1 LEU 36 2HD1 LEU 36 12.767 2.332 -9.764 270 1HD2 LEU 36 3HD2 LEU 36 13.858 5.212 -9.981 271 2HD2 LEU 36 2HD2 LEU 36 13.562 5.360 -11.712 272 3HD2 LEU 36 1HD2 LEU 36 12.363 4.587 -10.676 273 H TYR 37 HN TYR 37 17.512 4.115 -13.468 274 HA TYR 37 HA TYR 37 15.899 4.204 -15.800 275 1HB TYR 37 HB2 TYR 37 18.579 5.233 -15.010 276 2HB TYR 37 HB1 TYR 37 18.258 5.096 -16.734 277 HD1 TYR 37 HD1 TYR 37 16.642 6.531 -17.816 278 HD2 TYR 37 HD2 TYR 37 17.308 6.794 -13.621 279 HE1 TYR 37 HE1 TYR 37 15.436 8.672 -17.766 280 HE2 TYR 37 HE2 TYR 37 16.101 8.938 -13.560 281 HH TYR 37 HH TYR 37 14.084 9.972 -15.495 282 H GLU 38 HN GLU 38 18.731 2.381 -14.827 283 HA GLU 38 HA GLU 38 19.474 1.253 -17.262 284 1HB GLU 38 HB2 GLU 38 20.939 1.082 -15.364 285 2HB GLU 38 HB1 GLU 38 19.741 0.177 -14.454 286 1HG GLU 38 HG2 GLU 38 20.785 -0.922 -17.022 287 2HG GLU 38 HG1 GLU 38 21.751 -1.046 -15.553 288 H LYS 39 HN LYS 39 17.326 -0.074 -14.773 289 HA LYS 39 HA LYS 39 16.645 -2.441 -16.099 290 1HB LYS 39 HB2 LYS 39 15.223 -0.810 -14.005 291 2HB LYS 39 HB1 LYS 39 14.560 -2.319 -14.618 292 1HG LYS 39 HG2 LYS 39 17.036 -3.141 -13.992 293 2HG LYS 39 HG1 LYS 39 16.844 -1.841 -12.815 294 1HD LYS 39 HD2 LYS 39 15.663 -3.229 -11.542 295 2HD LYS 39 HD1 LYS 39 14.427 -3.279 -12.800 296 1HE LYS 39 HE2 LYS 39 16.825 -5.011 -13.116 297 2HE LYS 39 HE1 LYS 39 15.619 -5.474 -11.916 298 1HZ LYS 39 HZ2 LYS 39 13.932 -5.367 -13.683 299 2HZ LYS 39 HZ1 LYS 39 15.144 -5.037 -14.815 300 3HZ LYS 39 HZ3 LYS 39 15.125 -6.521 -14.002 301 H THR 40 HN THR 40 15.789 0.772 -16.885 302 HA THR 40 HA THR 40 13.236 0.175 -18.063 303 HB THR 40 HB THR 40 14.956 2.564 -18.708 304 HG1 THR 40 HG1 THR 40 13.278 2.173 -16.456 305 1HG2 THR 40 1HG2 THR 40 11.970 2.223 -18.579 306 2HG2 THR 40 3HG2 THR 40 12.821 3.734 -18.904 307 3HG2 THR 40 2HG2 THR 40 12.945 2.390 -20.040 308 H TYR 41 HN TYR 41 16.474 0.852 -19.309 309 HA TYR 41 HA TYR 41 15.863 0.383 -22.033 310 1HB TYR 41 HB2 TYR 41 18.622 -0.078 -20.955 311 2HB TYR 41 HB1 TYR 41 18.132 0.659 -22.474 312 HD1 TYR 41 HD1 TYR 41 19.736 1.372 -19.573 313 HD2 TYR 41 HD2 TYR 41 16.502 2.866 -21.901 314 HE1 TYR 41 HE1 TYR 41 20.055 3.597 -18.578 315 HE2 TYR 41 HE2 TYR 41 16.813 5.095 -20.912 316 HH TYR 41 HH TYR 41 19.209 6.250 -19.687 317 H LEU 42 HN LEU 42 17.143 -1.701 -19.469 318 HA LEU 42 HA LEU 42 17.392 -3.970 -21.252 319 1HB LEU 42 HB2 LEU 42 17.954 -3.503 -18.343 320 2HB LEU 42 HB1 LEU 42 17.932 -5.129 -18.995 321 HG LEU 42 HG LEU 42 20.205 -4.337 -18.892 322 1HD1 LEU 42 3HD1 LEU 42 19.404 -5.717 -20.851 323 2HD1 LEU 42 2HD1 LEU 42 19.403 -4.220 -21.784 324 3HD1 LEU 42 1HD1 LEU 42 20.906 -4.823 -21.086 325 1HD2 LEU 42 1HD2 LEU 42 19.602 -1.906 -19.004 326 2HD2 LEU 42 3HD2 LEU 42 20.993 -2.374 -19.983 327 3HD2 LEU 42 2HD2 LEU 42 19.429 -2.097 -20.749 328 HA PRO 43 HA PRO 43 13.404 -5.668 -20.210 329 1HB PRO 43 HB2 PRO 43 13.572 -7.936 -21.591 330 2HB PRO 43 HB1 PRO 43 13.597 -6.374 -22.417 331 1HG PRO 43 HG2 PRO 43 15.837 -8.249 -21.841 332 2HG PRO 43 HG1 PRO 43 15.586 -7.194 -23.241 333 1HD PRO 43 HD2 PRO 43 17.217 -6.666 -20.994 334 2HD PRO 43 HD1 PRO 43 16.760 -5.518 -22.266 335 H ALA 44 HN ALA 44 15.805 -6.238 -18.351 336 HA ALA 44 HA ALA 44 15.704 -8.931 -17.521 337 1HB ALA 44 HB2 ALA 44 16.476 -6.603 -15.784 338 2HB ALA 44 HB3 ALA 44 17.523 -7.259 -17.041 339 3HB ALA 44 HB1 ALA 44 17.036 -8.272 -15.683 340 H VAL 45 HN VAL 45 13.480 -6.381 -17.008 341 HA VAL 45 HA VAL 45 12.464 -6.820 -14.492 342 HB VAL 45 HB VAL 45 11.719 -4.971 -15.912 343 1HG1 VAL 45 3HG1 VAL 45 11.539 -6.399 -17.999 344 2HG1 VAL 45 2HG1 VAL 45 9.964 -6.913 -17.392 345 3HG1 VAL 45 1HG1 VAL 45 10.260 -5.211 -17.746 346 1HG2 VAL 45 3HG2 VAL 45 10.365 -5.773 -13.971 347 2HG2 VAL 45 2HG2 VAL 45 9.441 -4.909 -15.200 348 3HG2 VAL 45 1HG2 VAL 45 9.362 -6.668 -15.113 349 H ASP 46 HN ASP 46 11.709 -8.593 -17.473 350 HA ASP 46 HA ASP 46 9.672 -10.209 -16.333 351 1HB ASP 46 HB2 ASP 46 10.085 -9.792 -18.809 352 2HB ASP 46 HB1 ASP 46 11.399 -10.959 -18.692 353 H GLU 47 HN GLU 47 13.173 -10.531 -16.606 354 HA GLU 47 HA GLU 47 13.302 -13.262 -15.799 355 1HB GLU 47 HB2 GLU 47 15.139 -11.976 -16.955 356 2HB GLU 47 HB1 GLU 47 15.441 -11.157 -15.429 357 1HG GLU 47 HG2 GLU 47 16.933 -13.123 -16.011 358 2HG GLU 47 HG1 GLU 47 16.220 -13.105 -14.402 359 H LYS 48 HN LYS 48 13.387 -10.189 -14.061 360 HA LYS 48 HA LYS 48 14.106 -11.063 -11.525 361 1HB LYS 48 HB2 LYS 48 13.166 -8.676 -12.677 362 2HB LYS 48 HB1 LYS 48 12.065 -9.029 -11.353 363 1HG LYS 48 HG2 LYS 48 13.750 -7.679 -10.438 364 2HG LYS 48 HG1 LYS 48 14.117 -9.319 -9.901 365 1HD LYS 48 HD2 LYS 48 15.866 -9.543 -11.487 366 2HD LYS 48 HD1 LYS 48 15.367 -8.084 -12.345 367 1HE LYS 48 HE2 LYS 48 15.920 -6.775 -10.298 368 2HE LYS 48 HE1 LYS 48 16.562 -8.252 -9.582 369 1HZ LYS 48 HZ2 LYS 48 17.546 -7.114 -12.139 370 2HZ LYS 48 HZ1 LYS 48 18.248 -6.779 -10.637 371 3HZ LYS 48 HZ3 LYS 48 18.243 -8.362 -11.233 372 H LEU 49 HN LEU 49 11.027 -11.332 -13.180 373 HA LEU 49 HA LEU 49 9.400 -11.912 -10.948 374 1HB LEU 49 HB2 LEU 49 9.201 -12.298 -13.889 375 2HB LEU 49 HB1 LEU 49 8.157 -13.289 -12.891 376 HG LEU 49 HG LEU 49 7.466 -11.039 -11.789 377 1HD1 LEU 49 3HD1 LEU 49 8.631 -10.091 -14.403 378 2HD1 LEU 49 2HD1 LEU 49 7.564 -9.142 -13.368 379 3HD1 LEU 49 1HD1 LEU 49 9.154 -9.633 -12.782 380 1HD2 LEU 49 1HD2 LEU 49 5.983 -12.442 -13.121 381 2HD2 LEU 49 3HD2 LEU 49 5.723 -10.734 -13.477 382 3HD2 LEU 49 2HD2 LEU 49 6.634 -11.741 -14.602 383 H ARG 50 HN ARG 50 10.817 -14.100 -13.375 384 HA ARG 50 HA ARG 50 10.284 -16.477 -11.956 385 1HB ARG 50 HB2 ARG 50 11.184 -15.905 -14.463 386 2HB ARG 50 HB1 ARG 50 12.665 -16.468 -13.702 387 1HG ARG 50 HG2 ARG 50 11.912 -18.465 -14.425 388 2HG ARG 50 HG1 ARG 50 11.017 -18.415 -12.905 389 1HD ARG 50 HD2 ARG 50 9.909 -17.390 -15.511 390 2HD ARG 50 HD1 ARG 50 9.680 -19.046 -14.951 391 HE ARG 50 HE ARG 50 8.395 -16.663 -13.942 392 1HH1 ARG 50 1HH1 ARG 50 9.198 -20.010 -13.289 393 2HH1 ARG 50 2HH1 ARG 50 7.928 -20.217 -12.133 394 1HH2 ARG 50 1HH2 ARG 50 6.725 -16.944 -12.415 395 2HH2 ARG 50 2HH2 ARG 50 6.523 -18.477 -11.637 396 H ASP 51 HN ASP 51 12.920 -14.162 -11.851 397 HA ASP 51 HA ASP 51 14.872 -15.665 -10.545 398 1HB ASP 51 HB2 ASP 51 14.228 -12.726 -10.521 399 2HB ASP 51 HB1 ASP 51 15.543 -13.370 -9.546 400 H LEU 52 HN LEU 52 12.451 -13.505 -9.070 401 HA LEU 52 HA LEU 52 13.036 -14.243 -6.404 402 1HB LEU 52 HB2 LEU 52 10.856 -12.761 -7.781 403 2HB LEU 52 HB1 LEU 52 10.529 -13.356 -6.164 404 HG LEU 52 HG LEU 52 12.755 -12.162 -5.536 405 1HD1 LEU 52 1HD1 LEU 52 13.428 -11.686 -7.850 406 2HD1 LEU 52 3HD1 LEU 52 12.006 -10.660 -8.040 407 3HD1 LEU 52 2HD1 LEU 52 13.267 -10.217 -6.888 408 1HD2 LEU 52 1HD2 LEU 52 10.249 -10.622 -6.204 409 2HD2 LEU 52 3HD2 LEU 52 10.563 -11.506 -4.711 410 3HD2 LEU 52 2HD2 LEU 52 11.526 -10.084 -5.113 411 H TYR 53 HN TYR 53 11.023 -15.671 -8.868 412 HA TYR 53 HA TYR 53 9.363 -17.229 -7.178 413 1HB TYR 53 HB2 TYR 53 9.154 -16.671 -9.731 414 2HB TYR 53 HB1 TYR 53 10.119 -18.128 -9.938 415 HD1 TYR 53 HD1 TYR 53 9.176 -20.303 -9.549 416 HD2 TYR 53 HD2 TYR 53 6.894 -16.801 -8.756 417 HE1 TYR 53 HE1 TYR 53 7.147 -21.677 -9.358 418 HE2 TYR 53 HE2 TYR 53 4.858 -18.165 -8.562 419 HH TYR 53 HH TYR 53 4.325 -20.850 -9.702 420 H SER 54 HN SER 54 12.352 -17.999 -8.961 421 HA SER 54 HA SER 54 12.578 -20.670 -8.128 422 1HB SER 54 HB2 SER 54 13.877 -19.490 -9.986 423 2HB SER 54 HB1 SER 54 14.929 -18.867 -8.714 424 HG SER 54 HG SER 54 15.749 -20.811 -8.419 425 H LYS 55 HN LYS 55 13.990 -17.696 -6.776 426 HA LYS 55 HA LYS 55 15.399 -18.905 -4.666 427 1HB LYS 55 HB2 LYS 55 15.579 -16.506 -5.550 428 2HB LYS 55 HB1 LYS 55 14.192 -16.148 -4.532 429 1HG LYS 55 HG2 LYS 55 15.600 -17.146 -2.625 430 2HG LYS 55 HG1 LYS 55 16.963 -16.937 -3.726 431 1HD LYS 55 HD2 LYS 55 16.556 -14.572 -3.870 432 2HD LYS 55 HD1 LYS 55 15.062 -14.729 -2.945 433 1HE LYS 55 HE2 LYS 55 16.400 -15.541 -1.020 434 2HE LYS 55 HE1 LYS 55 17.865 -15.233 -1.951 435 1HZ LYS 55 HZ1 LYS 55 17.239 -12.892 -2.070 436 2HZ LYS 55 HZ3 LYS 55 15.857 -13.199 -1.143 437 3HZ LYS 55 HZ2 LYS 55 17.394 -13.403 -0.466 438 H SER 56 HN SER 56 12.103 -17.604 -4.842 439 HA SER 56 HA SER 56 11.441 -17.899 -2.129 440 1HB SER 56 HB2 SER 56 9.865 -17.621 -4.652 441 2HB SER 56 HB1 SER 56 9.023 -18.056 -3.166 442 HG SER 56 HG SER 56 9.945 -16.172 -2.210 443 H THR 57 HN THR 57 11.839 -20.361 -4.522 444 HA THR 57 HA THR 57 9.963 -22.246 -3.690 445 HB THR 57 HB THR 57 12.751 -22.792 -4.734 446 HG1 THR 57 HG1 THR 57 12.046 -22.109 -6.572 447 1HG2 THR 57 2HG2 THR 57 10.258 -24.474 -4.841 448 2HG2 THR 57 1HG2 THR 57 11.765 -24.821 -5.690 449 3HG2 THR 57 3HG2 THR 57 11.725 -24.822 -3.927 450 H ALA 58 HN ALA 58 13.420 -22.131 -2.763 451 HA ALA 58 HA ALA 58 12.875 -23.860 -0.490 452 1HB ALA 58 HB3 ALA 58 14.867 -24.272 -1.837 453 2HB ALA 58 HB2 ALA 58 15.475 -22.665 -1.439 454 3HB ALA 58 HB1 ALA 58 15.294 -23.878 -0.172 455 H ALA 59 HN ALA 59 13.974 -20.541 -1.093 456 HA ALA 59 HA ALA 59 14.491 -19.825 1.573 457 1HB ALA 59 HB3 ALA 59 14.579 -17.575 0.824 458 2HB ALA 59 HB1 ALA 59 13.577 -17.935 -0.583 459 3HB ALA 59 HB2 ALA 59 15.216 -18.579 -0.479 460 H MET 60 HN MET 60 11.637 -18.909 -0.388 461 HA MET 60 HA MET 60 10.185 -17.826 1.753 462 1HB MET 60 HB2 MET 60 9.837 -17.782 -0.895 463 2HB MET 60 HB1 MET 60 8.676 -19.041 -0.498 464 1HG MET 60 HG2 MET 60 7.865 -17.311 1.287 465 2HG MET 60 HG1 MET 60 8.668 -16.155 0.226 466 1HE MET 60 HE1 MET 60 6.559 -19.291 0.140 467 2HE MET 60 HE3 MET 60 5.228 -18.244 0.632 468 3HE MET 60 HE2 MET 60 5.244 -18.949 -0.985 469 H SER 61 HN SER 61 10.512 -21.147 0.684 470 HA SER 61 HA SER 61 8.206 -22.176 1.969 471 1HB SER 61 HB2 SER 61 9.384 -23.424 0.219 472 2HB SER 61 HB1 SER 61 10.795 -23.580 1.264 473 HG SER 61 HG SER 61 9.842 -25.151 2.295 474 H THR 62 HN THR 62 11.172 -21.042 3.235 475 HA THR 62 HA THR 62 10.884 -22.567 5.716 476 HB THR 62 HB THR 62 13.077 -20.623 4.968 477 HG1 THR 62 HG1 THR 62 12.943 -23.431 4.593 478 1HG2 THR 62 2HG2 THR 62 12.934 -22.784 7.052 479 2HG2 THR 62 1HG2 THR 62 14.411 -21.942 6.583 480 3HG2 THR 62 3HG2 THR 62 13.080 -21.048 7.318 481 H TYR 63 HN TYR 63 11.253 -19.196 4.625 482 HA TYR 63 HA TYR 63 10.672 -18.009 7.103 483 1HB TYR 63 HB2 TYR 63 11.853 -16.850 5.258 484 2HB TYR 63 HB1 TYR 63 10.354 -16.831 4.335 485 HD1 TYR 63 HD1 TYR 63 11.659 -15.776 7.679 486 HD2 TYR 63 HD2 TYR 63 9.046 -14.928 4.430 487 HE1 TYR 63 HE1 TYR 63 11.043 -13.644 8.737 488 HE2 TYR 63 HE2 TYR 63 8.425 -12.794 5.478 489 HH TYR 63 HH TYR 63 9.956 -11.207 7.473 490 H THR 64 HN THR 64 8.627 -19.480 4.739 491 HA THR 64 HA THR 64 6.288 -17.963 5.313 492 HB THR 64 HB THR 64 6.802 -20.573 3.934 493 HG1 THR 64 HG1 THR 64 6.957 -18.845 2.614 494 1HG2 THR 64 1HG2 THR 64 4.107 -19.588 4.801 495 2HG2 THR 64 3HG2 THR 64 4.328 -20.609 3.382 496 3HG2 THR 64 2HG2 THR 64 4.801 -21.199 4.974 497 H GLY 65 HN GLY 65 7.179 -21.280 6.259 498 1HA GLY 65 HA1 GLY 65 6.605 -22.504 8.122 499 2HA GLY 65 HA2 GLY 65 5.150 -21.516 8.217 500 H ILE 66 HN ILE 66 8.483 -20.375 8.315 501 HA ILE 66 HA ILE 66 8.730 -20.138 11.122 502 HB ILE 66 HB ILE 66 10.169 -18.775 8.851 503 1HG1 ILE 66 2HG1 ILE 66 10.554 -21.212 9.291 504 2HG1 ILE 66 1HG1 ILE 66 12.001 -20.222 9.442 505 1HG2 ILE 66 2HG2 ILE 66 10.466 -18.334 11.800 506 2HG2 ILE 66 1HG2 ILE 66 11.829 -18.117 10.703 507 3HG2 ILE 66 3HG2 ILE 66 10.371 -17.145 10.501 508 1HD1 ILE 66 2HD1 ILE 66 10.321 -21.137 11.764 509 2HD1 ILE 66 1HD1 ILE 66 11.775 -21.954 11.190 510 3HD1 ILE 66 3HD1 ILE 66 11.880 -20.315 11.831 511 H PHE 67 HN PHE 67 8.135 -17.617 8.663 512 HA PHE 67 HA PHE 67 7.688 -15.468 10.341 513 1HB PHE 67 HB2 PHE 67 7.833 -15.200 7.924 514 2HB PHE 67 HB1 PHE 67 6.319 -16.073 7.710 515 HD1 PHE 67 HD1 PHE 67 4.352 -14.887 7.528 516 HD2 PHE 67 HD2 PHE 67 7.706 -13.056 9.400 517 HE1 PHE 67 HE1 PHE 67 3.110 -12.769 7.675 518 HE2 PHE 67 HE2 PHE 67 6.470 -10.935 9.551 519 HZ PHE 67 HZ PHE 67 4.168 -10.789 8.688 520 H THR 68 HN THR 68 5.209 -17.665 9.025 521 HA THR 68 HA THR 68 3.072 -16.570 10.494 522 HB THR 68 HB THR 68 1.828 -18.593 9.874 523 HG1 THR 68 HG1 THR 68 4.275 -19.538 8.798 524 1HG2 THR 68 1HG2 THR 68 3.514 -17.382 7.713 525 2HG2 THR 68 3HG2 THR 68 2.265 -18.580 7.383 526 3HG2 THR 68 2HG2 THR 68 1.835 -17.039 8.124 527 H ASP 69 HN ASP 69 5.541 -18.824 11.355 528 HA ASP 69 HA ASP 69 4.293 -20.206 13.447 529 1HB ASP 69 HB2 ASP 69 6.564 -20.729 12.519 530 2HB ASP 69 HB1 ASP 69 7.192 -19.342 13.401 531 H GLN 70 HN GLN 70 6.309 -17.269 13.653 532 HA GLN 70 HA GLN 70 5.707 -16.794 16.391 533 1HB GLN 70 HB2 GLN 70 6.892 -15.022 14.254 534 2HB GLN 70 HB1 GLN 70 6.721 -14.528 15.932 535 1HG GLN 70 HG2 GLN 70 8.870 -15.268 15.954 536 2HG GLN 70 HG1 GLN 70 8.034 -16.759 16.383 537 1HE2 GLN 70 1HE2 GLN 70 8.595 -18.498 15.276 538 2HE2 GLN 70 2HE2 GLN 70 9.320 -18.514 13.709 539 H VAL 71 HN VAL 71 4.124 -15.962 13.424 540 HA VAL 71 HA VAL 71 2.584 -13.768 14.375 541 HB VAL 71 HB VAL 71 2.071 -15.678 12.080 542 1HG1 VAL 71 2HG1 VAL 71 0.602 -13.198 12.938 543 2HG1 VAL 71 1HG1 VAL 71 0.530 -13.820 11.289 544 3HG1 VAL 71 3HG1 VAL 71 -0.049 -14.808 12.629 545 1HG2 VAL 71 3HG2 VAL 71 4.052 -13.874 12.242 546 2HG2 VAL 71 2HG2 VAL 71 3.241 -14.287 10.732 547 3HG2 VAL 71 1HG2 VAL 71 2.763 -12.842 11.622 548 H LEU 72 HN LEU 72 1.838 -17.188 13.815 549 HA LEU 72 HA LEU 72 -0.714 -17.240 14.959 550 1HB LEU 72 HB2 LEU 72 1.357 -19.234 14.263 551 2HB LEU 72 HB1 LEU 72 0.217 -19.734 15.498 552 HG LEU 72 HG LEU 72 -1.600 -18.984 13.800 553 1HD1 LEU 72 2HD1 LEU 72 -0.005 -17.881 12.267 554 2HD1 LEU 72 1HD1 LEU 72 0.710 -19.456 11.922 555 3HD1 LEU 72 3HD1 LEU 72 -0.967 -19.132 11.480 556 1HD2 LEU 72 3HD2 LEU 72 -1.187 -21.294 14.512 557 2HD2 LEU 72 2HD2 LEU 72 -1.610 -21.199 12.803 558 3HD2 LEU 72 1HD2 LEU 72 0.069 -21.442 13.283 559 H SER 73 HN SER 73 2.515 -17.484 16.338 560 HA SER 73 HA SER 73 1.811 -18.316 18.919 561 1HB SER 73 HB2 SER 73 4.011 -18.042 19.412 562 2HB SER 73 HB1 SER 73 4.179 -17.757 17.681 563 HG SER 73 HG SER 73 4.693 -15.769 18.101 564 H VAL 74 HN VAL 74 1.810 -15.126 17.452 565 HA VAL 74 HA VAL 74 1.262 -13.711 19.875 566 HB VAL 74 HB VAL 74 0.651 -12.801 17.056 567 1HG1 VAL 74 3HG1 VAL 74 1.017 -11.329 19.659 568 2HG1 VAL 74 2HG1 VAL 74 1.015 -10.539 18.083 569 3HG1 VAL 74 1HG1 VAL 74 -0.424 -11.390 18.644 570 1HG2 VAL 74 1HG2 VAL 74 3.192 -13.263 18.352 571 2HG2 VAL 74 3HG2 VAL 74 2.846 -12.818 16.682 572 3HG2 VAL 74 2HG2 VAL 74 2.997 -11.567 17.915 573 H LEU 75 HN LEU 75 -0.640 -15.649 17.779 574 HA LEU 75 HA LEU 75 -3.166 -14.427 18.109 575 1HB LEU 75 HB2 LEU 75 -2.305 -16.406 16.548 576 2HB LEU 75 HB1 LEU 75 -2.970 -17.382 17.843 577 HG LEU 75 HG LEU 75 -5.147 -16.147 17.528 578 1HD1 LEU 75 3HD1 LEU 75 -3.672 -15.108 15.118 579 2HD1 LEU 75 2HD1 LEU 75 -5.428 -15.085 15.278 580 3HD1 LEU 75 1HD1 LEU 75 -4.427 -14.174 16.409 581 1HD2 LEU 75 1HD2 LEU 75 -4.067 -17.741 15.206 582 2HD2 LEU 75 3HD2 LEU 75 -4.819 -18.390 16.664 583 3HD2 LEU 75 2HD2 LEU 75 -5.773 -17.433 15.530 584 H LYS 76 HN LYS 76 -1.367 -16.781 19.943 585 HA LYS 76 HA LYS 76 -3.442 -17.413 21.798 586 1HB LYS 76 HB2 LYS 76 -0.444 -17.771 21.961 587 2HB LYS 76 HB1 LYS 76 -1.578 -18.401 23.147 588 1HG LYS 76 HG2 LYS 76 -1.597 -20.255 21.922 589 2HG LYS 76 HG1 LYS 76 -2.587 -19.351 20.774 590 1HD LYS 76 HD2 LYS 76 -0.541 -18.650 19.596 591 2HD LYS 76 HD1 LYS 76 0.420 -19.608 20.724 592 1HE LYS 76 HE2 LYS 76 -0.283 -21.607 19.838 593 2HE LYS 76 HE1 LYS 76 -1.803 -20.935 19.250 594 1HZ LYS 76 HZ3 LYS 76 0.817 -20.201 18.078 595 2HZ LYS 76 HZ2 LYS 76 -0.091 -21.511 17.517 596 3HZ LYS 76 HZ1 LYS 76 -0.725 -19.946 17.428 597 H GLY 77 HN GLY 77 -0.778 -15.083 21.762 598 1HA GLY 77 HA1 GLY 77 -0.204 -13.393 23.211 599 2HA GLY 77 HA2 GLY 77 -1.104 -14.233 24.464 600 H GLU 78 HN GLU 78 -1.575 -12.203 21.576 601 HA GLU 78 HA GLU 78 -4.144 -11.281 22.628 602 1HB GLU 78 HB2 GLU 78 -1.963 -9.866 23.310 603 2HB GLU 78 HB1 GLU 78 -2.298 -9.129 21.751 604 1HG GLU 78 HG2 GLU 78 -4.701 -9.378 23.334 605 2HG GLU 78 HG1 GLU 78 -3.445 -8.487 24.193 606 H GLU 79 HN GLU 79 -3.570 -12.888 20.338 607 HA GLU 79 HA GLU 79 -4.331 -13.095 18.208 608 1HB GLU 79 HB2 GLU 79 -6.060 -11.366 18.988 609 2HB GLU 79 HB1 GLU 79 -5.061 -10.173 18.168 610 1HG GLU 79 HG2 GLU 79 -6.167 -12.611 16.803 611 2HG GLU 79 HG1 GLU 79 -7.010 -11.065 16.861 No H/Q in entry = 611 Start of MODEL 9 1 H1 THR 1 HT1 THR 1 10.001 -8.911 41.748 2 H2 THR 1 HT3 THR 1 9.211 -10.272 42.427 3 H3 THR 1 HT2 THR 1 10.606 -10.490 41.453 4 HA THR 1 HA THR 1 8.722 -11.066 40.204 5 HB THR 1 HB THR 1 7.154 -9.721 41.618 6 HG1 THR 1 HG1 THR 1 6.161 -10.437 39.856 7 1HG2 THR 1 1HG2 THR 1 8.404 -7.578 41.552 8 2HG2 THR 1 3HG2 THR 1 7.917 -7.400 39.866 9 3HG2 THR 1 2HG2 THR 1 6.696 -7.432 41.139 10 H GLN 2 HN GLN 2 8.593 -10.640 37.962 11 HA GLN 2 HA GLN 2 10.760 -8.946 36.983 12 1HB GLN 2 HB2 GLN 2 9.767 -11.464 36.233 13 2HB GLN 2 HB1 GLN 2 9.337 -10.383 34.915 14 1HG GLN 2 HG2 GLN 2 12.109 -10.712 36.043 15 2HG GLN 2 HG1 GLN 2 11.504 -11.501 34.588 16 1HE2 GLN 2 1HE2 GLN 2 13.087 -8.818 35.810 17 2HE2 GLN 2 2HE2 GLN 2 13.002 -7.805 34.413 18 H GLN 3 HN GLN 3 10.492 -7.358 35.400 19 HA GLN 3 HA GLN 3 7.791 -6.619 34.610 20 1HB GLN 3 HB2 GLN 3 8.298 -4.207 35.235 21 2HB GLN 3 HB1 GLN 3 7.951 -5.299 36.567 22 1HG GLN 3 HG2 GLN 3 10.777 -4.772 35.746 23 2HG GLN 3 HG1 GLN 3 9.908 -3.622 36.760 24 1HE2 GLN 3 1HE2 GLN 3 8.724 -4.749 38.652 25 2HE2 GLN 3 2HE2 GLN 3 9.666 -5.905 39.526 26 HA PRO 4 HA PRO 4 10.893 -6.539 31.130 27 1HB PRO 4 HB2 PRO 4 8.772 -6.801 29.315 28 2HB PRO 4 HB1 PRO 4 9.812 -8.102 29.901 29 1HG PRO 4 HG2 PRO 4 7.096 -7.285 30.820 30 2HG PRO 4 HG1 PRO 4 7.800 -8.906 30.691 31 1HD PRO 4 HD2 PRO 4 7.537 -7.702 33.060 32 2HD PRO 4 HD1 PRO 4 8.965 -8.693 32.693 33 H GLN 5 HN GLN 5 7.951 -4.757 31.803 34 HA GLN 5 HA GLN 5 8.285 -2.805 29.744 35 1HB GLN 5 HB2 GLN 5 6.090 -3.252 30.725 36 2HB GLN 5 HB1 GLN 5 6.664 -2.716 32.297 37 1HG GLN 5 HG2 GLN 5 7.047 -0.719 30.217 38 2HG GLN 5 HG1 GLN 5 5.360 -1.181 30.429 39 1HE2 GLN 5 1HE2 GLN 5 8.004 0.561 31.705 40 2HE2 GLN 5 2HE2 GLN 5 7.227 1.145 33.133 41 H GLN 6 HN GLN 6 8.789 -2.703 33.280 42 HA GLN 6 HA GLN 6 9.973 -0.128 33.281 43 1HB GLN 6 HB2 GLN 6 9.965 -2.367 35.299 44 2HB GLN 6 HB1 GLN 6 10.772 -0.832 35.596 45 1HG GLN 6 HG2 GLN 6 8.819 -0.235 36.496 46 2HG GLN 6 HG1 GLN 6 8.319 0.018 34.825 47 1HE2 GLN 6 1HE2 GLN 6 8.023 -1.974 37.640 48 2HE2 GLN 6 2HE2 GLN 6 6.727 -2.959 37.062 49 H ASP 7 HN ASP 7 11.483 -3.337 33.803 50 HA ASP 7 HA ASP 7 14.128 -2.297 33.595 51 1HB ASP 7 HB2 ASP 7 14.832 -4.381 34.193 52 2HB ASP 7 HB1 ASP 7 13.149 -4.550 34.675 53 H GLU 8 HN GLU 8 15.658 -2.575 31.948 54 HA GLU 8 HA GLU 8 14.633 -2.296 29.306 55 1HB GLU 8 HB2 GLU 8 16.689 -1.162 30.082 56 2HB GLU 8 HB1 GLU 8 17.489 -2.722 30.213 57 1HG GLU 8 HG2 GLU 8 16.419 -2.512 27.596 58 2HG GLU 8 HG1 GLU 8 17.275 -1.015 27.959 59 H MET 9 HN MET 9 13.663 -4.039 28.429 60 HA MET 9 HA MET 9 14.530 -6.714 28.828 61 1HB MET 9 HB2 MET 9 12.467 -5.363 27.180 62 2HB MET 9 HB1 MET 9 12.994 -6.948 26.633 63 1HG MET 9 HG2 MET 9 12.036 -6.392 29.425 64 2HG MET 9 HG1 MET 9 10.980 -6.925 28.119 65 1HE MET 9 HE1 MET 9 12.248 -8.148 31.158 66 2HE MET 9 HE3 MET 9 13.334 -9.509 30.877 67 3HE MET 9 HE2 MET 9 13.880 -7.863 30.553 68 HA PRO 10 HA PRO 10 16.397 -6.514 24.426 69 1HB PRO 10 HB2 PRO 10 16.284 -4.253 22.978 70 2HB PRO 10 HB1 PRO 10 14.931 -5.387 23.043 71 1HG PRO 10 HG2 PRO 10 15.318 -2.810 24.510 72 2HG PRO 10 HG1 PRO 10 13.856 -3.450 23.738 73 1HD PRO 10 HD2 PRO 10 14.352 -3.591 26.430 74 2HD PRO 10 HD1 PRO 10 13.314 -4.731 25.553 75 H SER 11 HN SER 11 18.494 -6.649 24.971 76 HA SER 11 HA SER 11 19.922 -4.539 26.262 77 1HB SER 11 HB2 SER 11 20.561 -7.289 25.326 78 2HB SER 11 HB1 SER 11 21.913 -6.177 25.538 79 HG SER 11 HG SER 11 21.415 -7.359 27.450 80 HA PRO 12 HA PRO 12 22.243 -4.050 22.066 81 1HB PRO 12 HB2 PRO 12 21.263 -5.315 19.876 82 2HB PRO 12 HB1 PRO 12 22.443 -6.056 20.964 83 1HG PRO 12 HG2 PRO 12 19.480 -6.442 20.836 84 2HG PRO 12 HG1 PRO 12 20.758 -7.651 21.055 85 1HD PRO 12 HD2 PRO 12 19.279 -6.681 23.112 86 2HD PRO 12 HD1 PRO 12 20.961 -7.211 23.303 87 H THR 13 HN THR 13 21.873 -2.645 20.223 88 HA THR 13 HA THR 13 19.566 -1.003 20.561 89 HB THR 13 HB THR 13 20.510 0.217 18.545 90 HG1 THR 13 HG1 THR 13 22.073 -0.663 17.482 91 1HG2 THR 13 2HG2 THR 13 21.114 0.856 20.849 92 2HG2 THR 13 1HG2 THR 13 22.491 -0.242 20.759 93 3HG2 THR 13 3HG2 THR 13 22.402 1.150 19.681 94 H PHE 14 HN PHE 14 17.652 -1.111 19.594 95 HA PHE 14 HA PHE 14 17.394 -2.760 17.163 96 1HB PHE 14 HB2 PHE 14 15.519 -2.445 19.507 97 2HB PHE 14 HB1 PHE 14 14.983 -3.087 17.957 98 HD1 PHE 14 HD1 PHE 14 16.238 -5.132 17.043 99 HD2 PHE 14 HD2 PHE 14 16.460 -3.846 21.092 100 HE1 PHE 14 HE1 PHE 14 16.997 -7.376 17.710 101 HE2 PHE 14 HE2 PHE 14 17.220 -6.086 21.767 102 HZ PHE 14 HZ PHE 14 17.489 -7.855 20.075 103 H LEU 15 HN LEU 15 15.256 -0.449 18.849 104 HA LEU 15 HA LEU 15 14.216 0.659 16.478 105 1HB LEU 15 HB2 LEU 15 14.267 1.640 19.326 106 2HB LEU 15 HB1 LEU 15 13.488 2.546 18.043 107 HG LEU 15 HG LEU 15 12.735 -0.310 18.591 108 1HD1 LEU 15 3HD1 LEU 15 12.519 0.895 20.704 109 2HD1 LEU 15 2HD1 LEU 15 11.560 2.138 19.900 110 3HD1 LEU 15 1HD1 LEU 15 10.940 0.492 20.029 111 1HD2 LEU 15 1HD2 LEU 15 11.281 2.025 17.353 112 2HD2 LEU 15 3HD2 LEU 15 11.978 0.652 16.493 113 3HD2 LEU 15 2HD2 LEU 15 10.615 0.409 17.586 114 H THR 16 HN THR 16 16.636 1.940 18.763 115 HA THR 16 HA THR 16 17.224 4.309 17.409 116 HB THR 16 HB THR 16 19.445 4.173 18.611 117 HG1 THR 16 HG1 THR 16 19.964 2.170 19.021 118 1HG2 THR 16 2HG2 THR 16 17.466 5.182 19.684 119 2HG2 THR 16 1HG2 THR 16 17.075 3.606 20.373 120 3HG2 THR 16 3HG2 THR 16 18.572 4.419 20.828 121 H GLN 17 HN GLN 17 18.481 1.040 16.954 122 HA GLN 17 HA GLN 17 20.614 1.664 15.234 123 1HB GLN 17 HB2 GLN 17 19.879 -0.594 16.399 124 2HB GLN 17 HB1 GLN 17 19.073 -0.869 14.862 125 1HG GLN 17 HG2 GLN 17 21.997 -0.219 15.125 126 2HG GLN 17 HG1 GLN 17 21.353 -1.857 15.051 127 1HE2 GLN 17 1HE2 GLN 17 22.447 0.787 13.274 128 2HE2 GLN 17 2HE2 GLN 17 21.972 0.248 11.702 129 H VAL 18 HN VAL 18 17.280 0.661 14.490 130 HA VAL 18 HA VAL 18 17.056 0.442 11.871 131 HB VAL 18 HB VAL 18 15.278 2.282 13.480 132 1HG1 VAL 18 1HG1 VAL 18 14.925 1.004 10.781 133 2HG1 VAL 18 3HG1 VAL 18 13.561 1.556 11.755 134 3HG1 VAL 18 2HG1 VAL 18 14.783 2.708 11.215 135 1HG2 VAL 18 3HG2 VAL 18 15.535 -0.651 13.276 136 2HG2 VAL 18 2HG2 VAL 18 14.934 0.349 14.597 137 3HG2 VAL 18 1HG2 VAL 18 13.891 -0.012 13.222 138 H LYS 19 HN LYS 19 17.206 3.689 13.359 139 HA LYS 19 HA LYS 19 17.079 5.231 11.080 140 1HB LYS 19 HB2 LYS 19 18.606 5.713 13.637 141 2HB LYS 19 HB1 LYS 19 18.410 6.933 12.387 142 1HG LYS 19 HG2 LYS 19 16.562 7.547 13.453 143 2HG LYS 19 HG1 LYS 19 15.832 6.059 12.848 144 1HD LYS 19 HD2 LYS 19 17.077 5.066 14.992 145 2HD LYS 19 HD1 LYS 19 16.846 6.723 15.555 146 1HE LYS 19 HE2 LYS 19 14.571 5.193 14.350 147 2HE LYS 19 HE1 LYS 19 15.020 4.941 16.036 148 1HZ LYS 19 HZ3 LYS 19 14.304 7.562 14.832 149 2HZ LYS 19 HZ2 LYS 19 13.278 6.614 15.786 150 3HZ LYS 19 HZ1 LYS 19 14.679 7.283 16.460 151 H GLU 20 HN GLU 20 20.063 4.069 12.651 152 HA GLU 20 HA GLU 20 21.814 5.067 10.678 153 1HB GLU 20 HB2 GLU 20 22.155 2.815 12.661 154 2HB GLU 20 HB1 GLU 20 23.454 3.431 11.651 155 1HG GLU 20 HG2 GLU 20 23.842 4.604 13.559 156 2HG GLU 20 HG1 GLU 20 22.766 5.725 12.727 157 H SER 21 HN SER 21 19.931 2.157 10.910 158 HA SER 21 HA SER 21 21.265 0.586 8.986 159 1HB SER 21 HB2 SER 21 19.256 0.069 10.681 160 2HB SER 21 HB1 SER 21 18.305 0.352 9.224 161 HG SER 21 HG SER 21 19.080 -1.425 8.356 162 H LEU 22 HN LEU 22 18.555 2.864 8.708 163 HA LEU 22 HA LEU 22 18.215 2.516 5.900 164 1HB LEU 22 HB2 LEU 22 17.197 4.422 7.954 165 2HB LEU 22 HB1 LEU 22 17.053 4.870 6.265 166 HG LEU 22 HG LEU 22 15.936 2.535 5.992 167 1HD1 LEU 22 3HD1 LEU 22 15.608 3.010 8.951 168 2HD1 LEU 22 2HD1 LEU 22 14.712 1.821 8.004 169 3HD1 LEU 22 1HD1 LEU 22 16.459 1.666 8.188 170 1HD2 LEU 22 3HD2 LEU 22 14.806 4.686 5.693 171 2HD2 LEU 22 2HD2 LEU 22 13.759 3.506 6.482 172 3HD2 LEU 22 1HD2 LEU 22 14.526 4.779 7.432 173 H SER 23 HN SER 23 20.066 4.760 7.903 174 HA SER 23 HA SER 23 20.774 6.614 5.932 175 1HB SER 23 HB2 SER 23 22.367 5.730 8.351 176 2HB SER 23 HB1 SER 23 22.683 7.183 7.403 177 HG SER 23 HG SER 23 20.700 6.670 9.264 178 H SER 24 HN SER 24 22.586 3.768 7.078 179 HA SER 24 HA SER 24 24.654 3.960 5.166 180 1HB SER 24 HB2 SER 24 23.654 1.546 6.695 181 2HB SER 24 HB1 SER 24 25.170 1.618 5.798 182 HG SER 24 HG SER 24 24.437 2.955 8.165 183 H TYR 25 HN TYR 25 21.399 2.904 4.892 184 HA TYR 25 HA TYR 25 21.811 1.131 2.664 185 1HB TYR 25 HB2 TYR 25 19.888 0.794 4.122 186 2HB TYR 25 HB1 TYR 25 19.290 2.407 3.752 187 HD1 TYR 25 HD1 TYR 25 19.928 -0.942 2.304 188 HD2 TYR 25 HD2 TYR 25 17.971 2.806 1.826 189 HE1 TYR 25 HE1 TYR 25 18.651 -1.856 0.412 190 HE2 TYR 25 HE2 TYR 25 16.688 1.902 -0.066 191 HH TYR 25 HH TYR 25 17.353 -0.378 -1.819 192 H TRP 26 HN TRP 26 20.809 4.503 3.106 193 HA TRP 26 HA TRP 26 20.147 5.034 0.419 194 1HB TRP 26 HB2 TRP 26 19.713 6.441 2.572 195 2HB TRP 26 HB1 TRP 26 21.291 7.143 2.223 196 HD1 TRP 26 HD1 TRP 26 17.683 7.227 1.115 197 HE1 TRP 26 HE1 TRP 26 17.390 9.017 -0.709 198 HE3 TRP 26 HE3 TRP 26 22.604 8.281 0.213 199 HZ2 TRP 26 HZ2 TRP 26 19.027 10.659 -2.319 200 HZ3 TRP 26 HZ3 TRP 26 23.155 9.974 -1.485 201 HH2 TRP 26 HH2 TRP 26 21.402 11.136 -2.725 202 H GLU 27 HN GLU 27 23.188 5.206 2.182 203 HA GLU 27 HA GLU 27 24.873 6.591 0.580 204 1HB GLU 27 HB2 GLU 27 25.194 4.217 2.315 205 2HB GLU 27 HB1 GLU 27 26.486 4.488 1.154 206 1HG GLU 27 HG2 GLU 27 27.341 6.123 2.376 207 2HG GLU 27 HG1 GLU 27 25.784 6.942 2.484 208 H SER 28 HN SER 28 24.262 3.104 0.202 209 HA SER 28 HA SER 28 25.375 3.143 -2.479 210 1HB SER 28 HB2 SER 28 25.630 1.267 -0.671 211 2HB SER 28 HB1 SER 28 24.054 0.740 -1.261 212 HG SER 28 HG SER 28 24.914 0.247 -3.177 213 H ALA 29 HN ALA 29 22.303 3.560 -1.040 214 HA ALA 29 HA ALA 29 20.611 2.350 -2.932 215 1HB ALA 29 HB2 ALA 29 19.840 3.211 -0.758 216 2HB ALA 29 HB1 ALA 29 20.063 4.857 -1.350 217 3HB ALA 29 HB3 ALA 29 18.866 3.803 -2.101 218 H LYS 30 HN LYS 30 22.335 5.413 -3.007 219 HA LYS 30 HA LYS 30 20.972 6.742 -5.013 220 1HB LYS 30 HB2 LYS 30 23.022 7.476 -3.594 221 2HB LYS 30 HB1 LYS 30 23.973 6.792 -4.905 222 1HG LYS 30 HG2 LYS 30 21.828 8.717 -5.610 223 2HG LYS 30 HG1 LYS 30 23.287 9.343 -4.843 224 1HD LYS 30 HD2 LYS 30 23.734 7.435 -7.043 225 2HD LYS 30 HD1 LYS 30 23.005 8.970 -7.512 226 1HE LYS 30 HE2 LYS 30 25.206 9.336 -5.660 227 2HE LYS 30 HE1 LYS 30 25.705 8.461 -7.106 228 1HZ LYS 30 HZ1 LYS 30 24.306 11.082 -7.068 229 2HZ LYS 30 HZ3 LYS 30 25.951 10.845 -7.386 230 3HZ LYS 30 HZ2 LYS 30 24.788 10.244 -8.457 231 H THR 31 HN THR 31 23.657 4.440 -5.409 232 HA THR 31 HA THR 31 23.941 4.451 -8.146 233 HB THR 31 HB THR 31 23.988 1.907 -6.520 234 HG1 THR 31 HG1 THR 31 25.403 2.876 -5.322 235 1HG2 THR 31 3HG2 THR 31 25.657 2.833 -8.844 236 2HG2 THR 31 2HG2 THR 31 25.895 1.338 -7.941 237 3HG2 THR 31 1HG2 THR 31 24.418 1.579 -8.873 238 H ALA 32 HN ALA 32 21.505 2.869 -6.166 239 HA ALA 32 HA ALA 32 20.288 1.329 -8.190 240 1HB ALA 32 HB2 ALA 32 18.680 2.478 -5.950 241 2HB ALA 32 HB1 ALA 32 18.618 0.870 -6.668 242 3HB ALA 32 HB3 ALA 32 19.952 1.308 -5.601 243 H ALA 33 HN ALA 33 19.723 4.657 -7.064 244 HA ALA 33 HA ALA 33 17.440 5.297 -8.469 245 1HB ALA 33 HB2 ALA 33 18.730 6.758 -6.845 246 2HB ALA 33 HB1 ALA 33 19.746 7.207 -8.215 247 3HB ALA 33 HB3 ALA 33 18.022 7.572 -8.239 248 H GLN 34 HN GLN 34 20.774 5.732 -9.653 249 HA GLN 34 HA GLN 34 19.991 6.460 -12.270 250 1HB GLN 34 HB2 GLN 34 22.589 5.242 -11.306 251 2HB GLN 34 HB1 GLN 34 22.342 5.965 -12.890 252 1HG GLN 34 HG2 GLN 34 22.829 7.965 -12.089 253 2HG GLN 34 HG1 GLN 34 21.540 7.835 -10.896 254 1HE2 GLN 34 1HE2 GLN 34 24.554 8.697 -11.040 255 2HE2 GLN 34 2HE2 GLN 34 25.187 8.045 -9.571 256 H ASN 35 HN ASN 35 20.707 3.392 -10.707 257 HA ASN 35 HA ASN 35 20.730 1.772 -13.016 258 1HB ASN 35 HB2 ASN 35 21.449 1.157 -10.620 259 2HB ASN 35 HB1 ASN 35 19.744 0.820 -10.333 260 1HD2 ASN 35 1HD2 ASN 35 22.610 -0.146 -12.062 261 2HD2 ASN 35 2HD2 ASN 35 22.036 -1.705 -12.535 262 H LEU 36 HN LEU 36 18.128 3.171 -11.210 263 HA LEU 36 HA LEU 36 15.996 1.525 -11.960 264 1HB LEU 36 HB2 LEU 36 16.065 3.584 -10.350 265 2HB LEU 36 HB1 LEU 36 15.710 4.511 -11.795 266 HG LEU 36 HG LEU 36 13.943 2.193 -11.252 267 1HD1 LEU 36 3HD1 LEU 36 13.839 4.722 -9.614 268 2HD1 LEU 36 2HD1 LEU 36 12.595 3.473 -9.656 269 3HD1 LEU 36 1HD1 LEU 36 14.196 3.102 -9.016 270 1HD2 LEU 36 1HD2 LEU 36 13.478 5.034 -12.154 271 2HD2 LEU 36 3HD2 LEU 36 13.590 3.612 -13.192 272 3HD2 LEU 36 2HD2 LEU 36 12.248 3.774 -12.060 273 H TYR 37 HN TYR 37 17.462 4.344 -13.458 274 HA TYR 37 HA TYR 37 15.861 4.398 -15.796 275 1HB TYR 37 HB2 TYR 37 17.536 6.174 -14.818 276 2HB TYR 37 HB1 TYR 37 18.716 5.319 -15.807 277 HD1 TYR 37 HD1 TYR 37 18.957 5.873 -18.058 278 HD2 TYR 37 HD2 TYR 37 15.398 7.006 -16.019 279 HE1 TYR 37 HE1 TYR 37 18.250 7.170 -20.023 280 HE2 TYR 37 HE2 TYR 37 14.681 8.306 -17.980 281 HH TYR 37 HH TYR 37 16.347 9.446 -20.140 282 H GLU 38 HN GLU 38 18.820 2.735 -14.880 283 HA GLU 38 HA GLU 38 19.633 1.785 -17.377 284 1HB GLU 38 HB2 GLU 38 21.059 1.648 -15.401 285 2HB GLU 38 HB1 GLU 38 19.965 0.484 -14.670 286 1HG GLU 38 HG2 GLU 38 21.149 -0.153 -17.320 287 2HG GLU 38 HG1 GLU 38 22.164 -0.273 -15.884 288 H LYS 39 HN LYS 39 17.864 -0.082 -14.920 289 HA LYS 39 HA LYS 39 17.271 -2.248 -16.590 290 1HB LYS 39 HB2 LYS 39 15.644 -2.906 -14.873 291 2HB LYS 39 HB1 LYS 39 17.184 -2.432 -14.172 292 1HG LYS 39 HG2 LYS 39 15.832 -0.080 -14.106 293 2HG LYS 39 HG1 LYS 39 14.526 -1.242 -13.869 294 1HD LYS 39 HD2 LYS 39 16.156 -2.299 -12.130 295 2HD LYS 39 HD1 LYS 39 16.932 -0.714 -12.171 296 1HE LYS 39 HE2 LYS 39 15.439 -0.327 -10.501 297 2HE LYS 39 HE1 LYS 39 14.421 0.096 -11.875 298 1HZ LYS 39 HZ2 LYS 39 13.569 -2.215 -11.824 299 2HZ LYS 39 HZ1 LYS 39 14.442 -2.479 -10.399 300 3HZ LYS 39 HZ3 LYS 39 13.199 -1.332 -10.430 301 H THR 40 HN THR 40 15.998 0.876 -16.796 302 HA THR 40 HA THR 40 13.302 0.306 -17.442 303 HB THR 40 HB THR 40 15.076 2.600 -18.297 304 HG1 THR 40 HG1 THR 40 14.708 2.597 -16.094 305 1HG2 THR 40 2HG2 THR 40 12.110 2.259 -18.600 306 2HG2 THR 40 1HG2 THR 40 12.921 3.824 -18.641 307 3HG2 THR 40 3HG2 THR 40 13.300 2.602 -19.856 308 H TYR 41 HN TYR 41 16.086 0.963 -19.530 309 HA TYR 41 HA TYR 41 14.799 0.254 -21.952 310 1HB TYR 41 HB2 TYR 41 17.753 0.342 -21.299 311 2HB TYR 41 HB1 TYR 41 17.072 0.246 -22.920 312 HD1 TYR 41 HD1 TYR 41 15.648 2.173 -23.746 313 HD2 TYR 41 HD2 TYR 41 18.013 2.417 -20.218 314 HE1 TYR 41 HE1 TYR 41 15.530 4.627 -23.843 315 HE2 TYR 41 HE2 TYR 41 17.902 4.871 -20.305 316 HH TYR 41 HH TYR 41 15.826 6.571 -21.727 317 H LEU 42 HN LEU 42 16.728 -1.591 -19.639 318 HA LEU 42 HA LEU 42 16.983 -3.918 -21.266 319 1HB LEU 42 HB2 LEU 42 17.526 -3.235 -18.417 320 2HB LEU 42 HB1 LEU 42 17.433 -4.928 -18.857 321 HG LEU 42 HG LEU 42 19.742 -4.137 -18.851 322 1HD1 LEU 42 2HD1 LEU 42 18.931 -5.883 -20.470 323 2HD1 LEU 42 1HD1 LEU 42 18.891 -4.616 -21.695 324 3HD1 LEU 42 3HD1 LEU 42 20.417 -5.051 -20.925 325 1HD2 LEU 42 3HD2 LEU 42 19.189 -1.773 -19.447 326 2HD2 LEU 42 2HD2 LEU 42 20.544 -2.457 -20.344 327 3HD2 LEU 42 1HD2 LEU 42 18.965 -2.306 -21.113 328 HA PRO 43 HA PRO 43 13.055 -5.784 -20.288 329 1HB PRO 43 HB2 PRO 43 13.355 -8.044 -21.668 330 2HB PRO 43 HB1 PRO 43 13.295 -6.480 -22.486 331 1HG PRO 43 HG2 PRO 43 15.624 -8.243 -21.941 332 2HG PRO 43 HG1 PRO 43 15.335 -7.149 -23.303 333 1HD PRO 43 HD2 PRO 43 16.905 -6.637 -20.991 334 2HD PRO 43 HD1 PRO 43 16.463 -5.483 -22.264 335 H ALA 44 HN ALA 44 15.398 -6.222 -18.359 336 HA ALA 44 HA ALA 44 15.438 -8.922 -17.537 337 1HB ALA 44 HB3 ALA 44 16.048 -6.449 -15.923 338 2HB ALA 44 HB2 ALA 44 16.515 -8.101 -15.516 339 3HB ALA 44 HB1 ALA 44 17.189 -7.323 -16.948 340 H VAL 45 HN VAL 45 13.047 -6.516 -17.129 341 HA VAL 45 HA VAL 45 11.924 -6.924 -14.678 342 HB VAL 45 HB VAL 45 10.405 -6.551 -17.265 343 1HG1 VAL 45 2HG1 VAL 45 9.594 -6.219 -14.386 344 2HG1 VAL 45 1HG1 VAL 45 8.721 -5.463 -15.719 345 3HG1 VAL 45 3HG1 VAL 45 8.837 -7.221 -15.627 346 1HG2 VAL 45 3HG2 VAL 45 11.761 -4.642 -15.394 347 2HG2 VAL 45 2HG2 VAL 45 11.853 -4.732 -17.153 348 3HG2 VAL 45 1HG2 VAL 45 10.390 -4.126 -16.377 349 H ASP 46 HN ASP 46 11.068 -8.754 -17.626 350 HA ASP 46 HA ASP 46 9.296 -10.537 -16.382 351 1HB ASP 46 HB2 ASP 46 10.987 -11.002 -18.849 352 2HB ASP 46 HB1 ASP 46 9.568 -11.935 -18.384 353 H GLU 47 HN GLU 47 12.801 -10.659 -16.789 354 HA GLU 47 HA GLU 47 13.109 -13.369 -15.969 355 1HB GLU 47 HB2 GLU 47 14.788 -11.408 -16.965 356 2HB GLU 47 HB1 GLU 47 15.362 -11.625 -15.318 357 1HG GLU 47 HG2 GLU 47 14.910 -13.973 -17.118 358 2HG GLU 47 HG1 GLU 47 16.405 -13.040 -17.185 359 H LYS 48 HN LYS 48 13.197 -10.282 -14.234 360 HA LYS 48 HA LYS 48 14.043 -11.134 -11.735 361 1HB LYS 48 HB2 LYS 48 12.919 -8.783 -12.847 362 2HB LYS 48 HB1 LYS 48 11.992 -9.160 -11.402 363 1HG LYS 48 HG2 LYS 48 13.983 -9.147 -10.056 364 2HG LYS 48 HG1 LYS 48 14.994 -8.944 -11.489 365 1HD LYS 48 HD2 LYS 48 12.846 -6.947 -10.935 366 2HD LYS 48 HD1 LYS 48 14.337 -6.883 -9.992 367 1HE LYS 48 HE2 LYS 48 15.652 -6.660 -12.001 368 2HE LYS 48 HE1 LYS 48 14.222 -6.885 -13.007 369 1HZ LYS 48 HZ3 LYS 48 14.639 -4.619 -11.131 370 2HZ LYS 48 HZ2 LYS 48 14.871 -4.547 -12.806 371 3HZ LYS 48 HZ1 LYS 48 13.324 -4.822 -12.177 372 H LEU 49 HN LEU 49 10.900 -11.515 -13.240 373 HA LEU 49 HA LEU 49 9.396 -12.101 -10.925 374 1HB LEU 49 HB2 LEU 49 9.066 -12.515 -13.844 375 2HB LEU 49 HB1 LEU 49 8.121 -13.560 -12.804 376 HG LEU 49 HG LEU 49 6.808 -11.637 -13.468 377 1HD1 LEU 49 3HD1 LEU 49 6.665 -12.622 -11.127 378 2HD1 LEU 49 2HD1 LEU 49 7.552 -11.193 -10.595 379 3HD1 LEU 49 1HD1 LEU 49 5.977 -11.016 -11.367 380 1HD2 LEU 49 3HD2 LEU 49 8.972 -9.978 -12.178 381 2HD2 LEU 49 2HD2 LEU 49 8.620 -10.072 -13.904 382 3HD2 LEU 49 1HD2 LEU 49 7.437 -9.369 -12.801 383 H ARG 50 HN ARG 50 10.691 -14.329 -13.388 384 HA ARG 50 HA ARG 50 10.325 -16.666 -11.851 385 1HB ARG 50 HB2 ARG 50 10.759 -16.413 -14.390 386 2HB ARG 50 HB1 ARG 50 12.461 -16.376 -13.950 387 1HG ARG 50 HG2 ARG 50 12.474 -18.587 -13.973 388 2HG ARG 50 HG1 ARG 50 11.350 -18.584 -12.613 389 1HD ARG 50 HD2 ARG 50 9.508 -18.305 -14.352 390 2HD ARG 50 HD1 ARG 50 10.732 -18.725 -15.551 391 HE ARG 50 HE ARG 50 10.641 -20.642 -13.453 392 1HH1 ARG 50 1HH1 ARG 50 8.954 -19.625 -16.349 393 2HH1 ARG 50 2HH1 ARG 50 8.292 -21.194 -16.660 394 1HH2 ARG 50 1HH2 ARG 50 9.767 -22.706 -13.869 395 2HH2 ARG 50 2HH2 ARG 50 8.752 -22.943 -15.254 396 H ASP 51 HN ASP 51 12.883 -14.276 -11.985 397 HA ASP 51 HA ASP 51 14.991 -15.695 -10.839 398 1HB ASP 51 HB2 ASP 51 14.233 -12.810 -10.945 399 2HB ASP 51 HB1 ASP 51 15.498 -13.286 -9.821 400 H LEU 52 HN LEU 52 12.629 -13.606 -9.168 401 HA LEU 52 HA LEU 52 13.452 -14.397 -6.565 402 1HB LEU 52 HB2 LEU 52 11.182 -12.833 -7.700 403 2HB LEU 52 HB1 LEU 52 11.047 -13.413 -6.052 404 HG LEU 52 HG LEU 52 13.377 -12.282 -5.732 405 1HD1 LEU 52 1HD1 LEU 52 13.763 -11.799 -8.093 406 2HD1 LEU 52 3HD1 LEU 52 12.320 -10.787 -8.128 407 3HD1 LEU 52 2HD1 LEU 52 13.703 -10.317 -7.140 408 1HD2 LEU 52 2HD2 LEU 52 11.317 -11.589 -4.621 409 2HD2 LEU 52 1HD2 LEU 52 12.275 -10.194 -5.116 410 3HD2 LEU 52 3HD2 LEU 52 10.852 -10.663 -6.048 411 H TYR 53 HN TYR 53 11.305 -15.795 -8.899 412 HA TYR 53 HA TYR 53 9.647 -17.266 -7.131 413 1HB TYR 53 HB2 TYR 53 10.039 -17.049 -9.990 414 2HB TYR 53 HB1 TYR 53 9.848 -18.734 -9.518 415 HD1 TYR 53 HD1 TYR 53 7.799 -19.350 -8.120 416 HD2 TYR 53 HD2 TYR 53 8.174 -15.641 -10.172 417 HE1 TYR 53 HE1 TYR 53 5.363 -19.042 -7.998 418 HE2 TYR 53 HE2 TYR 53 5.740 -15.323 -10.054 419 HH TYR 53 HH TYR 53 3.633 -17.328 -9.752 420 H SER 54 HN SER 54 12.518 -18.219 -9.028 421 HA SER 54 HA SER 54 12.706 -20.842 -8.037 422 1HB SER 54 HB2 SER 54 15.133 -20.662 -8.768 423 2HB SER 54 HB1 SER 54 13.935 -20.305 -10.010 424 HG SER 54 HG SER 54 15.743 -18.620 -8.739 425 H LYS 55 HN LYS 55 14.219 -17.821 -6.940 426 HA LYS 55 HA LYS 55 15.791 -18.918 -4.885 427 1HB LYS 55 HB2 LYS 55 14.586 -16.161 -5.172 428 2HB LYS 55 HB1 LYS 55 15.764 -16.595 -3.942 429 1HG LYS 55 HG2 LYS 55 17.478 -16.843 -5.489 430 2HG LYS 55 HG1 LYS 55 16.360 -17.021 -6.843 431 1HD LYS 55 HD2 LYS 55 15.675 -14.562 -6.083 432 2HD LYS 55 HD1 LYS 55 17.333 -14.567 -5.481 433 1HE LYS 55 HE2 LYS 55 16.972 -15.606 -8.213 434 2HE LYS 55 HE1 LYS 55 16.623 -13.891 -8.005 435 1HZ LYS 55 HZ2 LYS 55 19.153 -15.234 -7.215 436 2HZ LYS 55 HZ1 LYS 55 18.939 -14.285 -8.599 437 3HZ LYS 55 HZ3 LYS 55 18.818 -13.583 -7.063 438 H SER 56 HN SER 56 12.529 -17.481 -4.785 439 HA SER 56 HA SER 56 12.110 -17.806 -2.027 440 1HB SER 56 HB2 SER 56 9.785 -17.348 -2.470 441 2HB SER 56 HB1 SER 56 10.764 -16.335 -3.528 442 HG SER 56 HG SER 56 9.568 -17.170 -5.042 443 H THR 57 HN THR 57 12.118 -20.226 -4.495 444 HA THR 57 HA THR 57 10.214 -22.017 -3.522 445 HB THR 57 HB THR 57 12.854 -22.722 -4.823 446 HG1 THR 57 HG1 THR 57 11.964 -22.241 -6.699 447 1HG2 THR 57 3HG2 THR 57 10.242 -24.207 -4.704 448 2HG2 THR 57 2HG2 THR 57 11.588 -24.624 -5.766 449 3HG2 THR 57 1HG2 THR 57 11.787 -24.705 -4.016 450 H ALA 58 HN ALA 58 13.721 -21.923 -2.835 451 HA ALA 58 HA ALA 58 13.383 -23.805 -0.644 452 1HB ALA 58 HB3 ALA 58 15.303 -24.052 -2.125 453 2HB ALA 58 HB2 ALA 58 15.868 -22.443 -1.677 454 3HB ALA 58 HB1 ALA 58 15.818 -23.728 -0.470 455 H ALA 59 HN ALA 59 14.315 -20.411 -1.108 456 HA ALA 59 HA ALA 59 14.953 -19.828 1.563 457 1HB ALA 59 HB1 ALA 59 14.711 -17.481 0.929 458 2HB ALA 59 HB2 ALA 59 13.925 -17.967 -0.573 459 3HB ALA 59 HB3 ALA 59 15.612 -18.390 -0.285 460 H MET 60 HN MET 60 11.958 -18.947 -0.189 461 HA MET 60 HA MET 60 10.577 -18.034 2.071 462 1HB MET 60 HB2 MET 60 10.091 -17.844 -0.528 463 2HB MET 60 HB1 MET 60 9.033 -19.207 -0.187 464 1HG MET 60 HG2 MET 60 8.034 -17.788 1.656 465 2HG MET 60 HG1 MET 60 8.913 -16.434 0.948 466 1HE MET 60 HE1 MET 60 6.778 -19.444 0.084 467 2HE MET 60 HE3 MET 60 5.466 -18.430 0.686 468 3HE MET 60 HE2 MET 60 5.549 -18.840 -1.028 469 H SER 61 HN SER 61 11.225 -21.287 1.125 470 HA SER 61 HA SER 61 8.918 -22.524 2.208 471 1HB SER 61 HB2 SER 61 9.954 -24.543 1.766 472 2HB SER 61 HB1 SER 61 10.828 -23.481 0.665 473 HG SER 61 HG SER 61 12.556 -23.491 2.011 474 H THR 62 HN THR 62 11.625 -21.060 3.718 475 HA THR 62 HA THR 62 11.148 -22.475 6.240 476 HB THR 62 HB THR 62 13.227 -21.355 7.015 477 HG1 THR 62 HG1 THR 62 13.668 -19.619 5.905 478 1HG2 THR 62 1HG2 THR 62 13.365 -23.572 5.937 479 2HG2 THR 62 3HG2 THR 62 13.668 -22.766 4.398 480 3HG2 THR 62 2HG2 THR 62 14.816 -22.592 5.726 481 H TYR 63 HN TYR 63 11.431 -19.171 4.946 482 HA TYR 63 HA TYR 63 10.615 -17.844 7.280 483 1HB TYR 63 HB2 TYR 63 10.408 -16.900 4.413 484 2HB TYR 63 HB1 TYR 63 10.340 -15.883 5.848 485 HD1 TYR 63 HD1 TYR 63 12.416 -17.018 3.288 486 HD2 TYR 63 HD2 TYR 63 12.460 -16.175 7.457 487 HE1 TYR 63 HE1 TYR 63 14.858 -16.754 3.202 488 HE2 TYR 63 HE2 TYR 63 14.902 -15.907 7.383 489 HH TYR 63 HH TYR 63 16.613 -15.249 5.059 490 H THR 64 HN THR 64 8.829 -19.655 4.956 491 HA THR 64 HA THR 64 6.370 -18.245 5.227 492 HB THR 64 HB THR 64 7.136 -20.938 4.162 493 HG1 THR 64 HG1 THR 64 5.780 -18.687 3.094 494 1HG2 THR 64 3HG2 THR 64 4.327 -20.073 4.762 495 2HG2 THR 64 2HG2 THR 64 4.715 -21.233 3.491 496 3HG2 THR 64 1HG2 THR 64 5.121 -21.594 5.169 497 H GLY 65 HN GLY 65 7.488 -21.322 6.620 498 1HA GLY 65 HA1 GLY 65 6.840 -22.411 8.545 499 2HA GLY 65 HA2 GLY 65 5.332 -21.504 8.471 500 H ILE 66 HN ILE 66 8.573 -20.133 8.573 501 HA ILE 66 HA ILE 66 8.690 -19.614 11.348 502 HB ILE 66 HB ILE 66 10.238 -18.775 8.972 503 1HG1 ILE 66 2HG1 ILE 66 12.120 -19.271 10.584 504 2HG1 ILE 66 1HG1 ILE 66 10.895 -19.697 11.773 505 1HG2 ILE 66 2HG2 ILE 66 10.074 -17.059 11.430 506 2HG2 ILE 66 1HG2 ILE 66 11.514 -17.099 10.414 507 3HG2 ILE 66 3HG2 ILE 66 9.973 -16.575 9.737 508 1HD1 ILE 66 2HD1 ILE 66 10.060 -21.334 9.945 509 2HD1 ILE 66 1HD1 ILE 66 11.672 -21.110 9.266 510 3HD1 ILE 66 3HD1 ILE 66 11.485 -21.741 10.901 511 H PHE 67 HN PHE 67 7.977 -17.398 8.631 512 HA PHE 67 HA PHE 67 7.327 -15.136 10.087 513 1HB PHE 67 HB2 PHE 67 6.286 -16.148 7.450 514 2HB PHE 67 HB1 PHE 67 5.716 -14.632 8.132 515 HD1 PHE 67 HD1 PHE 67 8.933 -14.736 9.265 516 HD2 PHE 67 HD2 PHE 67 6.791 -14.329 5.608 517 HE1 PHE 67 HE1 PHE 67 10.857 -13.573 8.272 518 HE2 PHE 67 HE2 PHE 67 8.714 -13.166 4.609 519 HZ PHE 67 HZ PHE 67 10.750 -12.786 5.940 520 H THR 68 HN THR 68 5.027 -17.602 8.925 521 HA THR 68 HA THR 68 2.802 -16.553 10.296 522 HB THR 68 HB THR 68 1.734 -18.741 9.833 523 HG1 THR 68 HG1 THR 68 3.218 -20.274 9.932 524 1HG2 THR 68 2HG2 THR 68 1.748 -17.083 8.049 525 2HG2 THR 68 1HG2 THR 68 3.300 -17.702 7.485 526 3HG2 THR 68 3HG2 THR 68 1.865 -18.724 7.414 527 H ASP 69 HN ASP 69 5.435 -18.478 11.376 528 HA ASP 69 HA ASP 69 4.278 -19.877 13.500 529 1HB ASP 69 HB2 ASP 69 6.871 -19.493 12.540 530 2HB ASP 69 HB1 ASP 69 6.921 -18.887 14.192 531 H GLN 70 HN GLN 70 5.958 -16.722 13.653 532 HA GLN 70 HA GLN 70 5.154 -16.217 16.334 533 1HB GLN 70 HB2 GLN 70 6.128 -14.031 16.054 534 2HB GLN 70 HB1 GLN 70 7.171 -15.215 15.281 535 1HG GLN 70 HG2 GLN 70 5.520 -14.433 13.233 536 2HG GLN 70 HG1 GLN 70 5.751 -12.945 14.147 537 1HE2 GLN 70 1HE2 GLN 70 7.353 -15.492 12.360 538 2HE2 GLN 70 2HE2 GLN 70 8.823 -14.630 12.075 539 H VAL 71 HN VAL 71 3.647 -15.680 13.265 540 HA VAL 71 HA VAL 71 1.843 -13.622 14.042 541 HB VAL 71 HB VAL 71 1.617 -15.677 11.827 542 1HG1 VAL 71 3HG1 VAL 71 -0.088 -13.294 12.497 543 2HG1 VAL 71 2HG1 VAL 71 -0.032 -13.992 10.878 544 3HG1 VAL 71 1HG1 VAL 71 -0.589 -14.965 12.240 545 1HG2 VAL 71 2HG2 VAL 71 3.459 -13.766 11.941 546 2HG2 VAL 71 1HG2 VAL 71 2.674 -14.220 10.429 547 3HG2 VAL 71 3HG2 VAL 71 2.126 -12.798 11.315 548 H LEU 72 HN LEU 72 1.460 -17.118 13.592 549 HA LEU 72 HA LEU 72 -1.117 -17.373 14.655 550 1HB LEU 72 HB2 LEU 72 1.186 -19.328 14.580 551 2HB LEU 72 HB1 LEU 72 -0.432 -19.758 15.101 552 HG LEU 72 HG LEU 72 -0.047 -18.545 12.394 553 1HD1 LEU 72 2HD1 LEU 72 1.617 -20.389 12.652 554 2HD1 LEU 72 1HD1 LEU 72 0.270 -21.485 12.957 555 3HD1 LEU 72 3HD1 LEU 72 0.405 -20.665 11.401 556 1HD2 LEU 72 3HD2 LEU 72 -2.307 -18.871 13.267 557 2HD2 LEU 72 2HD2 LEU 72 -2.000 -19.909 11.874 558 3HD2 LEU 72 1HD2 LEU 72 -1.971 -20.587 13.502 559 H SER 73 HN SER 73 2.075 -17.282 16.127 560 HA SER 73 HA SER 73 1.389 -18.073 18.721 561 1HB SER 73 HB2 SER 73 3.731 -17.663 17.730 562 2HB SER 73 HB1 SER 73 3.474 -15.972 18.158 563 HG SER 73 HG SER 73 4.471 -16.894 19.888 564 H VAL 74 HN VAL 74 1.202 -14.919 17.162 565 HA VAL 74 HA VAL 74 0.450 -13.526 19.540 566 HB VAL 74 HB VAL 74 1.326 -12.670 17.139 567 1HG1 VAL 74 3HG1 VAL 74 -1.069 -13.257 16.274 568 2HG1 VAL 74 2HG1 VAL 74 -1.498 -11.716 17.013 569 3HG1 VAL 74 1HG1 VAL 74 -0.272 -11.776 15.748 570 1HG2 VAL 74 1HG2 VAL 74 -0.254 -11.223 19.241 571 2HG2 VAL 74 3HG2 VAL 74 1.494 -11.284 19.020 572 3HG2 VAL 74 2HG2 VAL 74 0.494 -10.378 17.885 573 H LEU 75 HN LEU 75 -1.222 -15.608 17.397 574 HA LEU 75 HA LEU 75 -3.838 -14.558 17.607 575 1HB LEU 75 HB2 LEU 75 -2.822 -16.453 16.076 576 2HB LEU 75 HB1 LEU 75 -3.376 -17.494 17.372 577 HG LEU 75 HG LEU 75 -5.621 -16.054 16.951 578 1HD1 LEU 75 2HD1 LEU 75 -4.264 -16.264 14.266 579 2HD1 LEU 75 1HD1 LEU 75 -5.955 -15.838 14.531 580 3HD1 LEU 75 3HD1 LEU 75 -4.676 -14.775 15.118 581 1HD2 LEU 75 3HD2 LEU 75 -5.434 -18.492 17.039 582 2HD2 LEU 75 2HD2 LEU 75 -6.438 -17.969 15.686 583 3HD2 LEU 75 1HD2 LEU 75 -4.781 -18.501 15.401 584 H LYS 76 HN LYS 76 -1.951 -16.738 19.567 585 HA LYS 76 HA LYS 76 -4.066 -17.516 21.314 586 1HB LYS 76 HB2 LYS 76 -1.079 -17.748 21.378 587 2HB LYS 76 HB1 LYS 76 -2.008 -18.108 22.827 588 1HG LYS 76 HG2 LYS 76 -1.782 -20.180 21.842 589 2HG LYS 76 HG1 LYS 76 -3.375 -19.666 21.286 590 1HD LYS 76 HD2 LYS 76 -1.275 -18.770 19.500 591 2HD LYS 76 HD1 LYS 76 -1.251 -20.522 19.707 592 1HE LYS 76 HE2 LYS 76 -3.653 -20.592 19.152 593 2HE LYS 76 HE1 LYS 76 -3.624 -18.850 18.883 594 1HZ LYS 76 HZ1 LYS 76 -2.044 -20.856 17.363 595 2HZ LYS 76 HZ3 LYS 76 -3.441 -20.078 16.810 596 3HZ LYS 76 HZ2 LYS 76 -2.033 -19.186 17.098 597 H GLY 77 HN GLY 77 -1.523 -15.043 21.480 598 1HA GLY 77 HA1 GLY 77 -1.172 -13.319 22.964 599 2HA GLY 77 HA2 GLY 77 -2.191 -14.169 24.115 600 H GLU 78 HN GLU 78 -2.777 -12.686 20.913 601 HA GLU 78 HA GLU 78 -4.379 -10.589 21.998 602 1HB GLU 78 HB2 GLU 78 -4.132 -11.542 19.139 603 2HB GLU 78 HB1 GLU 78 -4.880 -10.037 19.651 604 1HG GLU 78 HG2 GLU 78 -1.982 -10.793 19.951 605 2HG GLU 78 HG1 GLU 78 -2.656 -9.627 18.814 606 H GLU 79 HN GLU 79 -5.309 -13.215 19.746 607 HA GLU 79 HA GLU 79 -8.088 -12.865 20.220 608 1HB GLU 79 HB2 GLU 79 -6.405 -14.562 18.570 609 2HB GLU 79 HB1 GLU 79 -7.760 -15.459 19.239 610 1HG GLU 79 HG2 GLU 79 -9.303 -14.286 18.055 611 2HG GLU 79 HG1 GLU 79 -8.329 -12.816 18.025 No H/Q in entry = 611 Start of MODEL 10 1 H1 THR 1 HT2 THR 1 11.551 -2.135 30.208 2 H2 THR 1 HT1 THR 1 10.924 -3.463 29.322 3 H3 THR 1 HT3 THR 1 12.552 -2.977 29.099 4 HA THR 1 HA THR 1 11.886 -0.928 28.175 5 HB THR 1 HB THR 1 12.182 -2.790 26.663 6 HG1 THR 1 HG1 THR 1 11.387 -0.962 25.667 7 1HG2 THR 1 2HG2 THR 1 10.639 -4.415 27.622 8 2HG2 THR 1 1HG2 THR 1 9.274 -3.448 27.064 9 3HG2 THR 1 3HG2 THR 1 10.362 -4.194 25.895 10 H GLN 2 HN GLN 2 9.030 -2.909 29.005 11 HA GLN 2 HA GLN 2 7.346 -0.528 28.718 12 1HB GLN 2 HB2 GLN 2 6.873 -3.451 28.582 13 2HB GLN 2 HB1 GLN 2 5.582 -2.491 29.291 14 1HG GLN 2 HG2 GLN 2 5.141 -2.761 26.962 15 2HG GLN 2 HG1 GLN 2 5.575 -1.079 27.258 16 1HE2 GLN 2 1HE2 GLN 2 7.482 -0.267 26.420 17 2HE2 GLN 2 2HE2 GLN 2 8.425 -1.119 25.250 18 H GLN 3 HN GLN 3 7.983 0.556 30.598 19 HA GLN 3 HA GLN 3 7.496 -0.758 33.165 20 1HB GLN 3 HB2 GLN 3 8.934 1.730 32.317 21 2HB GLN 3 HB1 GLN 3 8.390 1.568 33.981 22 1HG GLN 3 HG2 GLN 3 10.096 -0.494 32.620 23 2HG GLN 3 HG1 GLN 3 10.766 0.879 33.499 24 1HE2 GLN 3 1HE2 GLN 3 9.156 -2.174 33.740 25 2HE2 GLN 3 2HE2 GLN 3 9.269 -2.334 35.457 26 HA PRO 4 HA PRO 4 3.700 1.431 33.815 27 1HB PRO 4 HB2 PRO 4 3.463 1.301 36.470 28 2HB PRO 4 HB1 PRO 4 3.461 -0.164 35.481 29 1HG PRO 4 HG2 PRO 4 5.662 1.009 37.127 30 2HG PRO 4 HG1 PRO 4 5.204 -0.690 36.914 31 1HD PRO 4 HD2 PRO 4 7.270 0.600 35.571 32 2HD PRO 4 HD1 PRO 4 6.491 -0.906 35.050 33 H GLN 5 HN GLN 5 6.176 3.170 33.669 34 HA GLN 5 HA GLN 5 5.932 5.185 35.672 35 1HB GLN 5 HB2 GLN 5 7.901 4.547 33.978 36 2HB GLN 5 HB1 GLN 5 7.151 5.825 33.033 37 1HG GLN 5 HG2 GLN 5 7.491 6.627 35.783 38 2HG GLN 5 HG1 GLN 5 9.018 6.106 35.071 39 1HE2 GLN 5 1HE2 GLN 5 9.552 7.076 32.939 40 2HE2 GLN 5 2HE2 GLN 5 9.128 8.730 32.678 41 H GLN 6 HN GLN 6 5.465 7.492 35.124 42 HA GLN 6 HA GLN 6 2.849 7.736 34.053 43 1HB GLN 6 HB2 GLN 6 3.516 9.218 35.815 44 2HB GLN 6 HB1 GLN 6 4.899 9.789 34.893 45 1HG GLN 6 HG2 GLN 6 2.293 10.197 33.603 46 2HG GLN 6 HG1 GLN 6 2.539 11.093 35.101 47 1HE2 GLN 6 1HE2 GLN 6 3.066 11.056 31.793 48 2HE2 GLN 6 2HE2 GLN 6 4.229 12.330 31.701 49 H ASP 7 HN ASP 7 6.040 8.778 32.867 50 HA ASP 7 HA ASP 7 5.039 9.888 30.443 51 1HB ASP 7 HB2 ASP 7 7.424 10.031 31.787 52 2HB ASP 7 HB1 ASP 7 7.843 8.997 30.423 53 H GLU 8 HN GLU 8 6.485 8.964 28.384 54 HA GLU 8 HA GLU 8 5.128 6.575 27.658 55 1HB GLU 8 HB2 GLU 8 7.369 8.064 26.279 56 2HB GLU 8 HB1 GLU 8 6.466 6.737 25.564 57 1HG GLU 8 HG2 GLU 8 5.361 8.517 24.672 58 2HG GLU 8 HG1 GLU 8 4.400 8.248 26.125 59 H MET 9 HN MET 9 5.908 4.509 27.298 60 HA MET 9 HA MET 9 7.972 3.615 29.032 61 1HB MET 9 HB2 MET 9 6.390 2.236 26.865 62 2HB MET 9 HB1 MET 9 7.603 1.403 27.827 63 1HG MET 9 HG2 MET 9 6.289 1.305 29.646 64 2HG MET 9 HG1 MET 9 5.587 2.896 29.359 65 1HE MET 9 HE3 MET 9 4.823 -0.382 29.993 66 2HE MET 9 HE2 MET 9 3.469 0.671 30.403 67 3HE MET 9 HE1 MET 9 3.240 -0.660 29.269 68 HA PRO 10 HA PRO 10 11.462 4.259 26.349 69 1HB PRO 10 HB2 PRO 10 13.257 2.708 27.682 70 2HB PRO 10 HB1 PRO 10 12.756 4.307 28.245 71 1HG PRO 10 HG2 PRO 10 11.806 1.607 29.123 72 2HG PRO 10 HG1 PRO 10 12.202 3.029 30.106 73 1HD PRO 10 HD2 PRO 10 9.657 2.355 29.498 74 2HD PRO 10 HD1 PRO 10 10.173 4.043 29.686 75 H SER 11 HN SER 11 11.709 3.340 24.413 76 HA SER 11 HA SER 11 11.005 0.618 23.906 77 1HB SER 11 HB2 SER 11 11.605 1.085 21.593 78 2HB SER 11 HB1 SER 11 10.677 2.435 22.243 79 HG SER 11 HG SER 11 12.884 2.687 21.034 80 HA PRO 12 HA PRO 12 14.916 -1.361 24.455 81 1HB PRO 12 HB2 PRO 12 14.733 -3.423 22.725 82 2HB PRO 12 HB1 PRO 12 13.750 -3.332 24.191 83 1HG PRO 12 HG2 PRO 12 13.008 -2.664 21.370 84 2HG PRO 12 HG1 PRO 12 12.074 -3.543 22.596 85 1HD PRO 12 HD2 PRO 12 11.667 -0.913 21.999 86 2HD PRO 12 HD1 PRO 12 11.340 -1.613 23.595 87 H THR 13 HN THR 13 16.821 -2.293 23.148 88 HA THR 13 HA THR 13 17.782 -0.251 21.402 89 HB THR 13 HB THR 13 19.044 -2.954 21.887 90 HG1 THR 13 HG1 THR 13 19.115 -2.308 23.882 91 1HG2 THR 13 2HG2 THR 13 20.224 -0.283 21.168 92 2HG2 THR 13 1HG2 THR 13 21.155 -1.707 21.631 93 3HG2 THR 13 3HG2 THR 13 20.179 -1.731 20.163 94 H PHE 14 HN PHE 14 16.082 -0.398 19.782 95 HA PHE 14 HA PHE 14 16.864 -2.152 17.597 96 1HB PHE 14 HB2 PHE 14 14.105 -2.165 18.823 97 2HB PHE 14 HB1 PHE 14 14.415 -2.726 17.185 98 HD1 PHE 14 HD1 PHE 14 15.885 -4.698 16.818 99 HD2 PHE 14 HD2 PHE 14 14.609 -3.508 20.699 100 HE1 PHE 14 HE1 PHE 14 16.477 -6.920 17.691 101 HE2 PHE 14 HE2 PHE 14 15.198 -5.727 21.579 102 HZ PHE 14 HZ PHE 14 16.134 -7.437 20.074 103 H LEU 15 HN LEU 15 14.468 0.269 18.654 104 HA LEU 15 HA LEU 15 13.933 1.331 16.106 105 1HB LEU 15 HB2 LEU 15 13.639 2.424 18.891 106 2HB LEU 15 HB1 LEU 15 13.235 3.394 17.488 107 HG LEU 15 HG LEU 15 11.717 1.367 16.846 108 1HD1 LEU 15 3HD1 LEU 15 12.347 0.865 19.726 109 2HD1 LEU 15 2HD1 LEU 15 10.773 0.427 19.063 110 3HD1 LEU 15 1HD1 LEU 15 12.241 -0.277 18.388 111 1HD2 LEU 15 2HD2 LEU 15 10.912 3.606 17.399 112 2HD2 LEU 15 1HD2 LEU 15 9.870 2.363 18.089 113 3HD2 LEU 15 3HD2 LEU 15 11.015 3.223 19.118 114 H THR 16 HN THR 16 16.321 2.204 18.572 115 HA THR 16 HA THR 16 17.293 4.556 17.424 116 HB THR 16 HB THR 16 17.875 3.848 19.695 117 HG1 THR 16 HG1 THR 16 19.353 5.256 19.070 118 1HG2 THR 16 3HG2 THR 16 18.214 1.412 19.142 119 2HG2 THR 16 2HG2 THR 16 19.802 1.868 18.527 120 3HG2 THR 16 1HG2 THR 16 19.402 2.142 20.222 121 H GLN 17 HN GLN 17 18.167 1.178 16.806 122 HA GLN 17 HA GLN 17 20.374 1.655 15.131 123 1HB GLN 17 HB2 GLN 17 19.278 -0.572 16.174 124 2HB GLN 17 HB1 GLN 17 18.657 -0.690 14.535 125 1HG GLN 17 HG2 GLN 17 21.568 -0.238 15.076 126 2HG GLN 17 HG1 GLN 17 20.863 -1.854 15.077 127 1HE2 GLN 17 1HE2 GLN 17 21.928 0.797 13.168 128 2HE2 GLN 17 2HE2 GLN 17 21.647 0.082 11.621 129 H VAL 18 HN VAL 18 16.965 1.030 14.326 130 HA VAL 18 HA VAL 18 16.740 0.953 11.700 131 HB VAL 18 HB VAL 18 15.142 2.901 13.367 132 1HG1 VAL 18 2HG1 VAL 18 14.685 1.733 10.637 133 2HG1 VAL 18 1HG1 VAL 18 13.371 2.376 11.621 134 3HG1 VAL 18 3HG1 VAL 18 14.693 3.429 11.119 135 1HG2 VAL 18 2HG2 VAL 18 14.942 -0.050 12.906 136 2HG2 VAL 18 1HG2 VAL 18 14.831 0.855 14.415 137 3HG2 VAL 18 3HG2 VAL 18 13.498 0.899 13.261 138 H LYS 19 HN LYS 19 17.226 4.094 13.337 139 HA LYS 19 HA LYS 19 17.254 5.747 11.133 140 1HB LYS 19 HB2 LYS 19 18.776 5.925 13.728 141 2HB LYS 19 HB1 LYS 19 18.819 7.205 12.523 142 1HG LYS 19 HG2 LYS 19 16.188 6.209 13.517 143 2HG LYS 19 HG1 LYS 19 17.138 7.319 14.506 144 1HD LYS 19 HD2 LYS 19 16.713 7.986 11.635 145 2HD LYS 19 HD1 LYS 19 15.365 8.198 12.754 146 1HE LYS 19 HE2 LYS 19 16.644 9.698 14.112 147 2HE LYS 19 HE1 LYS 19 18.111 9.356 13.196 148 1HZ LYS 19 HZ2 LYS 19 15.687 10.699 12.125 149 2HZ LYS 19 HZ1 LYS 19 17.129 11.471 12.559 150 3HZ LYS 19 HZ3 LYS 19 17.106 10.387 11.259 151 H GLU 20 HN GLU 20 20.103 4.202 12.624 152 HA GLU 20 HA GLU 20 21.943 5.095 10.680 153 1HB GLU 20 HB2 GLU 20 22.056 2.728 12.552 154 2HB GLU 20 HB1 GLU 20 23.408 3.263 11.567 155 1HG GLU 20 HG2 GLU 20 23.908 4.285 13.539 156 2HG GLU 20 HG1 GLU 20 22.966 5.555 12.759 157 H SER 21 HN SER 21 19.753 2.404 10.793 158 HA SER 21 HA SER 21 20.902 0.778 8.798 159 1HB SER 21 HB2 SER 21 17.931 0.994 9.291 160 2HB SER 21 HB1 SER 21 18.853 -0.415 8.769 161 HG SER 21 HG SER 21 18.255 -0.459 11.010 162 H LEU 22 HN LEU 22 18.620 3.475 8.641 163 HA LEU 22 HA LEU 22 18.104 3.250 5.849 164 1HB LEU 22 HB2 LEU 22 16.736 4.461 7.678 165 2HB LEU 22 HB1 LEU 22 17.846 5.794 7.425 166 HG LEU 22 HG LEU 22 16.588 4.715 4.980 167 1HD1 LEU 22 3HD1 LEU 22 14.709 4.577 6.521 168 2HD1 LEU 22 2HD1 LEU 22 14.983 6.246 7.023 169 3HD1 LEU 22 1HD1 LEU 22 14.482 5.894 5.369 170 1HD2 LEU 22 1HD2 LEU 22 17.015 7.496 6.070 171 2HD2 LEU 22 3HD2 LEU 22 18.063 6.653 4.930 172 3HD2 LEU 22 2HD2 LEU 22 16.425 7.102 4.456 173 H SER 23 HN SER 23 20.377 5.154 7.794 174 HA SER 23 HA SER 23 21.373 6.794 5.759 175 1HB SER 23 HB2 SER 23 21.832 7.110 8.192 176 2HB SER 23 HB1 SER 23 22.921 5.724 8.130 177 HG SER 23 HG SER 23 24.385 6.918 7.192 178 H SER 24 HN SER 24 22.648 3.693 6.966 179 HA SER 24 HA SER 24 24.719 3.475 5.059 180 1HB SER 24 HB2 SER 24 23.285 1.320 6.632 181 2HB SER 24 HB1 SER 24 24.771 1.075 5.717 182 HG SER 24 HG SER 24 24.358 2.401 8.127 183 H TYR 25 HN TYR 25 21.321 3.012 4.801 184 HA TYR 25 HA TYR 25 21.437 1.206 2.552 185 1HB TYR 25 HB2 TYR 25 19.517 1.080 4.029 186 2HB TYR 25 HB1 TYR 25 19.150 2.780 3.759 187 HD1 TYR 25 HD1 TYR 25 17.872 3.473 1.882 188 HD2 TYR 25 HD2 TYR 25 19.218 -0.555 2.155 189 HE1 TYR 25 HE1 TYR 25 16.411 2.863 0.002 190 HE2 TYR 25 HE2 TYR 25 17.761 -1.175 0.275 191 HH TYR 25 HH TYR 25 16.657 0.565 -1.854 192 H TRP 26 HN TRP 26 20.957 4.670 3.085 193 HA TRP 26 HA TRP 26 20.293 5.371 0.436 194 1HB TRP 26 HB2 TRP 26 19.905 6.877 2.331 195 2HB TRP 26 HB1 TRP 26 21.641 7.027 2.583 196 HD1 TRP 26 HD1 TRP 26 18.821 8.263 0.338 197 HE1 TRP 26 HE1 TRP 26 19.692 10.219 -1.091 198 HE3 TRP 26 HE3 TRP 26 23.791 7.965 1.497 199 HZ2 TRP 26 HZ2 TRP 26 22.164 11.469 -1.653 200 HZ3 TRP 26 HZ3 TRP 26 25.341 9.575 0.471 201 HH2 TRP 26 HH2 TRP 26 24.543 11.290 -1.070 202 H GLU 27 HN GLU 27 23.385 5.088 2.108 203 HA GLU 27 HA GLU 27 25.198 6.221 0.449 204 1HB GLU 27 HB2 GLU 27 25.230 3.880 2.236 205 2HB GLU 27 HB1 GLU 27 26.480 3.869 1.001 206 1HG GLU 27 HG2 GLU 27 27.482 4.910 2.819 207 2HG GLU 27 HG1 GLU 27 27.014 6.245 1.769 208 H SER 28 HN SER 28 24.102 2.850 0.111 209 HA SER 28 HA SER 28 25.138 2.724 -2.598 210 1HB SER 28 HB2 SER 28 24.429 0.353 -2.504 211 2HB SER 28 HB1 SER 28 25.469 0.789 -1.150 212 HG SER 28 HG SER 28 23.849 0.525 0.200 213 H ALA 29 HN ALA 29 22.210 3.619 -1.112 214 HA ALA 29 HA ALA 29 20.298 2.602 -2.905 215 1HB ALA 29 HB2 ALA 29 19.667 3.618 -0.788 216 2HB ALA 29 HB3 ALA 29 18.841 4.412 -2.126 217 3HB ALA 29 HB1 ALA 29 20.224 5.190 -1.358 218 H LYS 30 HN LYS 30 22.350 5.478 -3.096 219 HA LYS 30 HA LYS 30 21.136 6.816 -5.190 220 1HB LYS 30 HB2 LYS 30 23.157 7.528 -3.790 221 2HB LYS 30 HB1 LYS 30 24.129 6.602 -4.926 222 1HG LYS 30 HG2 LYS 30 23.515 8.018 -6.733 223 2HG LYS 30 HG1 LYS 30 22.281 8.823 -5.762 224 1HD LYS 30 HD2 LYS 30 25.096 8.873 -4.794 225 2HD LYS 30 HD1 LYS 30 24.662 9.905 -6.158 226 1HE LYS 30 HE2 LYS 30 22.937 10.978 -4.860 227 2HE LYS 30 HE1 LYS 30 23.207 9.867 -3.518 228 1HZ LYS 30 HZ1 LYS 30 25.248 11.763 -4.547 229 2HZ LYS 30 HZ3 LYS 30 24.250 12.069 -3.214 230 3HZ LYS 30 HZ2 LYS 30 25.365 10.798 -3.162 231 H THR 31 HN THR 31 23.686 4.345 -5.448 232 HA THR 31 HA THR 31 23.967 4.207 -8.182 233 HB THR 31 HB THR 31 23.898 1.747 -6.431 234 HG1 THR 31 HG1 THR 31 25.355 2.724 -5.287 235 1HG2 THR 31 1HG2 THR 31 25.610 2.471 -8.796 236 2HG2 THR 31 3HG2 THR 31 25.756 1.004 -7.828 237 3HG2 THR 31 2HG2 THR 31 24.297 1.295 -8.776 238 H ALA 32 HN ALA 32 21.463 2.838 -6.129 239 HA ALA 32 HA ALA 32 20.170 1.263 -8.081 240 1HB ALA 32 HB2 ALA 32 18.595 2.586 -5.920 241 2HB ALA 32 HB1 ALA 32 18.506 0.934 -6.532 242 3HB ALA 32 HB3 ALA 32 19.837 1.415 -5.480 243 H ALA 33 HN ALA 33 19.736 4.652 -7.079 244 HA ALA 33 HA ALA 33 17.504 5.336 -8.542 245 1HB ALA 33 HB3 ALA 33 18.827 6.792 -6.938 246 2HB ALA 33 HB2 ALA 33 19.876 7.166 -8.304 247 3HB ALA 33 HB1 ALA 33 18.166 7.593 -8.363 248 H GLN 34 HN GLN 34 20.874 5.561 -9.678 249 HA GLN 34 HA GLN 34 20.184 6.277 -12.325 250 1HB GLN 34 HB2 GLN 34 22.681 4.912 -11.294 251 2HB GLN 34 HB1 GLN 34 22.507 5.623 -12.891 252 1HG GLN 34 HG2 GLN 34 22.935 7.671 -12.141 253 2HG GLN 34 HG1 GLN 34 21.847 7.489 -10.765 254 1HE2 GLN 34 1HE2 GLN 34 22.659 6.843 -8.797 255 2HE2 GLN 34 2HE2 GLN 34 24.351 6.731 -8.468 256 H ASN 35 HN ASN 35 20.703 3.204 -10.692 257 HA ASN 35 HA ASN 35 20.651 1.542 -12.968 258 1HB ASN 35 HB2 ASN 35 21.315 0.938 -10.553 259 2HB ASN 35 HB1 ASN 35 19.593 0.698 -10.277 260 1HD2 ASN 35 1HD2 ASN 35 18.525 -0.995 -11.346 261 2HD2 ASN 35 2HD2 ASN 35 19.395 -2.318 -12.037 262 H LEU 36 HN LEU 36 18.123 3.126 -11.212 263 HA LEU 36 HA LEU 36 15.904 1.592 -11.939 264 1HB LEU 36 HB2 LEU 36 16.069 3.659 -10.365 265 2HB LEU 36 HB1 LEU 36 15.820 4.597 -11.825 266 HG LEU 36 HG LEU 36 13.714 3.101 -12.138 267 1HD1 LEU 36 1HD1 LEU 36 14.231 1.506 -10.370 268 2HD1 LEU 36 3HD1 LEU 36 14.198 2.805 -9.176 269 3HD1 LEU 36 2HD1 LEU 36 12.723 2.355 -10.032 270 1HD2 LEU 36 2HD2 LEU 36 13.701 5.516 -11.693 271 2HD2 LEU 36 1HD2 LEU 36 12.386 4.683 -10.864 272 3HD2 LEU 36 3HD2 LEU 36 13.816 5.188 -9.964 273 H TYR 37 HN TYR 37 17.550 4.281 -13.501 274 HA TYR 37 HA TYR 37 15.948 4.363 -15.843 275 1HB TYR 37 HB2 TYR 37 18.817 5.227 -15.392 276 2HB TYR 37 HB1 TYR 37 17.886 5.587 -16.841 277 HD1 TYR 37 HD1 TYR 37 18.578 6.532 -13.428 278 HD2 TYR 37 HD2 TYR 37 15.867 7.064 -16.663 279 HE1 TYR 37 HE1 TYR 37 17.704 8.561 -12.352 280 HE2 TYR 37 HE2 TYR 37 14.984 9.096 -15.596 281 HH TYR 37 HH TYR 37 16.320 10.846 -13.581 282 H GLU 38 HN GLU 38 18.824 2.582 -14.879 283 HA GLU 38 HA GLU 38 19.561 1.488 -17.338 284 1HB GLU 38 HB2 GLU 38 20.990 1.363 -15.358 285 2HB GLU 38 HB1 GLU 38 19.850 0.272 -14.587 286 1HG GLU 38 HG2 GLU 38 20.982 -0.505 -17.221 287 2HG GLU 38 HG1 GLU 38 22.011 -0.612 -15.794 288 H LYS 39 HN LYS 39 17.638 -0.109 -14.802 289 HA LYS 39 HA LYS 39 16.950 -2.340 -16.369 290 1HB LYS 39 HB2 LYS 39 15.276 -2.817 -14.628 291 2HB LYS 39 HB1 LYS 39 16.851 -2.427 -13.952 292 1HG LYS 39 HG2 LYS 39 15.861 -0.933 -12.657 293 2HG LYS 39 HG1 LYS 39 15.475 0.002 -14.102 294 1HD LYS 39 HD2 LYS 39 13.482 -1.737 -14.250 295 2HD LYS 39 HD1 LYS 39 13.766 -1.840 -12.511 296 1HE LYS 39 HE2 LYS 39 12.179 -0.155 -12.678 297 2HE LYS 39 HE1 LYS 39 13.695 0.741 -12.579 298 1HZ LYS 39 HZ2 LYS 39 12.327 0.074 -15.128 299 2HZ LYS 39 HZ1 LYS 39 12.156 1.549 -14.319 300 3HZ LYS 39 HZ3 LYS 39 13.666 1.087 -14.926 301 H THR 40 HN THR 40 15.903 0.822 -16.789 302 HA THR 40 HA THR 40 13.167 0.296 -17.462 303 HB THR 40 HB THR 40 14.952 2.623 -18.213 304 HG1 THR 40 HG1 THR 40 14.678 2.742 -16.071 305 1HG2 THR 40 3HG2 THR 40 11.977 2.294 -18.463 306 2HG2 THR 40 2HG2 THR 40 12.794 3.857 -18.474 307 3HG2 THR 40 1HG2 THR 40 13.141 2.672 -19.734 308 H TYR 41 HN TYR 41 16.096 0.889 -19.350 309 HA TYR 41 HA TYR 41 14.939 0.406 -21.887 310 1HB TYR 41 HB2 TYR 41 17.855 -0.072 -21.360 311 2HB TYR 41 HB1 TYR 41 17.084 0.630 -22.777 312 HD1 TYR 41 HD1 TYR 41 15.672 2.885 -22.097 313 HD2 TYR 41 HD2 TYR 41 19.128 1.383 -20.120 314 HE1 TYR 41 HE1 TYR 41 16.153 5.137 -21.236 315 HE2 TYR 41 HE2 TYR 41 19.618 3.631 -19.253 316 HH TYR 41 HH TYR 41 17.638 5.953 -18.938 317 H LEU 42 HN LEU 42 16.692 -1.680 -19.619 318 HA LEU 42 HA LEU 42 16.590 -3.959 -21.385 319 1HB LEU 42 HB2 LEU 42 17.589 -3.490 -18.599 320 2HB LEU 42 HB1 LEU 42 17.428 -5.122 -19.219 321 HG LEU 42 HG LEU 42 18.887 -4.278 -21.190 322 1HD1 LEU 42 2HD1 LEU 42 19.281 -2.123 -19.138 323 2HD1 LEU 42 1HD1 LEU 42 20.526 -2.525 -20.321 324 3HD1 LEU 42 3HD1 LEU 42 18.945 -1.960 -20.862 325 1HD2 LEU 42 3HD2 LEU 42 19.603 -5.930 -19.545 326 2HD2 LEU 42 2HD2 LEU 42 20.919 -4.826 -19.947 327 3HD2 LEU 42 1HD2 LEU 42 20.043 -4.639 -18.428 328 HA PRO 43 HA PRO 43 12.741 -5.528 -19.783 329 1HB PRO 43 HB2 PRO 43 12.617 -7.775 -21.207 330 2HB PRO 43 HB1 PRO 43 12.553 -6.195 -21.997 331 1HG PRO 43 HG2 PRO 43 14.801 -8.140 -21.828 332 2HG PRO 43 HG1 PRO 43 14.357 -7.046 -23.148 333 1HD PRO 43 HD2 PRO 43 16.349 -6.612 -21.197 334 2HD PRO 43 HD1 PRO 43 15.713 -5.418 -22.345 335 H ALA 44 HN ALA 44 15.275 -6.129 -18.225 336 HA ALA 44 HA ALA 44 15.312 -8.844 -17.457 337 1HB ALA 44 HB2 ALA 44 16.267 -6.406 -15.966 338 2HB ALA 44 HB1 ALA 44 16.651 -8.074 -15.543 339 3HB ALA 44 HB3 ALA 44 17.212 -7.400 -17.074 340 H VAL 45 HN VAL 45 13.102 -6.348 -16.674 341 HA VAL 45 HA VAL 45 12.332 -6.827 -14.089 342 HB VAL 45 HB VAL 45 10.013 -6.147 -14.776 343 1HG1 VAL 45 2HG1 VAL 45 11.773 -4.543 -14.124 344 2HG1 VAL 45 1HG1 VAL 45 12.224 -4.385 -15.822 345 3HG1 VAL 45 3HG1 VAL 45 10.625 -3.871 -15.282 346 1HG2 VAL 45 2HG2 VAL 45 11.265 -6.325 -17.494 347 2HG2 VAL 45 1HG2 VAL 45 9.701 -6.927 -16.945 348 3HG2 VAL 45 3HG2 VAL 45 9.947 -5.196 -17.175 349 H ASP 46 HN ASP 46 11.195 -8.562 -16.984 350 HA ASP 46 HA ASP 46 9.488 -10.322 -15.523 351 1HB ASP 46 HB2 ASP 46 10.637 -10.715 -18.294 352 2HB ASP 46 HB1 ASP 46 9.227 -11.522 -17.615 353 H GLU 47 HN GLU 47 12.850 -10.434 -16.556 354 HA GLU 47 HA GLU 47 13.264 -13.209 -16.099 355 1HB GLU 47 HB2 GLU 47 14.738 -11.592 -17.427 356 2HB GLU 47 HB1 GLU 47 15.385 -11.076 -15.877 357 1HG GLU 47 HG2 GLU 47 15.626 -13.784 -15.702 358 2HG GLU 47 HG1 GLU 47 15.898 -13.504 -17.422 359 H LYS 48 HN LYS 48 13.875 -10.332 -14.093 360 HA LYS 48 HA LYS 48 14.921 -11.718 -11.866 361 1HB LYS 48 HB2 LYS 48 13.624 -9.005 -12.124 362 2HB LYS 48 HB1 LYS 48 14.303 -9.599 -10.615 363 1HG LYS 48 HG2 LYS 48 15.864 -9.320 -13.173 364 2HG LYS 48 HG1 LYS 48 15.808 -8.099 -11.901 365 1HD LYS 48 HD2 LYS 48 17.573 -9.153 -11.020 366 2HD LYS 48 HD1 LYS 48 16.432 -10.405 -10.527 367 1HE LYS 48 HE2 LYS 48 18.100 -11.587 -11.647 368 2HE LYS 48 HE1 LYS 48 16.832 -11.405 -12.857 369 1HZ LYS 48 HZ2 LYS 48 19.240 -9.678 -12.634 370 2HZ LYS 48 HZ1 LYS 48 19.041 -10.932 -13.751 371 3HZ LYS 48 HZ3 LYS 48 18.042 -9.567 -13.824 372 H LEU 49 HN LEU 49 11.660 -11.135 -12.946 373 HA LEU 49 HA LEU 49 10.298 -11.525 -10.504 374 1HB LEU 49 HB2 LEU 49 9.580 -11.612 -13.386 375 2HB LEU 49 HB1 LEU 49 8.499 -12.436 -12.281 376 HG LEU 49 HG LEU 49 9.297 -9.599 -11.745 377 1HD1 LEU 49 1HD1 LEU 49 7.187 -10.538 -13.677 378 2HD1 LEU 49 3HD1 LEU 49 7.239 -8.917 -12.987 379 3HD1 LEU 49 2HD1 LEU 49 8.560 -9.482 -14.009 380 1HD2 LEU 49 1HD2 LEU 49 6.831 -11.228 -11.143 381 2HD2 LEU 49 3HD2 LEU 49 8.113 -10.813 -10.005 382 3HD2 LEU 49 2HD2 LEU 49 7.088 -9.547 -10.680 383 H ARG 50 HN ARG 50 10.752 -13.782 -13.230 384 HA ARG 50 HA ARG 50 9.943 -16.084 -11.807 385 1HB ARG 50 HB2 ARG 50 10.057 -15.893 -14.301 386 2HB ARG 50 HB1 ARG 50 11.810 -15.945 -14.185 387 1HG ARG 50 HG2 ARG 50 11.763 -18.155 -14.204 388 2HG ARG 50 HG1 ARG 50 10.757 -18.166 -12.754 389 1HD ARG 50 HD2 ARG 50 9.506 -17.620 -15.410 390 2HD ARG 50 HD1 ARG 50 9.914 -19.278 -14.972 391 HE ARG 50 HE ARG 50 7.790 -17.668 -13.895 392 1HH1 ARG 50 1HH1 ARG 50 9.894 -20.401 -13.283 393 2HH1 ARG 50 2HH1 ARG 50 8.814 -21.133 -12.146 394 1HH2 ARG 50 1HH2 ARG 50 6.372 -18.639 -12.396 395 2HH2 ARG 50 2HH2 ARG 50 6.814 -20.134 -11.643 396 H ASP 51 HN ASP 51 13.013 -14.421 -12.180 397 HA ASP 51 HA ASP 51 14.777 -16.375 -11.265 398 1HB ASP 51 HB2 ASP 51 15.593 -14.311 -12.235 399 2HB ASP 51 HB1 ASP 51 14.883 -13.371 -10.928 400 H LEU 52 HN LEU 52 13.326 -13.742 -9.338 401 HA LEU 52 HA LEU 52 14.182 -14.744 -6.845 402 1HB LEU 52 HB2 LEU 52 12.302 -12.657 -7.781 403 2HB LEU 52 HB1 LEU 52 12.053 -13.251 -6.150 404 HG LEU 52 HG LEU 52 14.543 -12.741 -5.776 405 1HD1 LEU 52 3HD1 LEU 52 15.046 -12.460 -8.197 406 2HD1 LEU 52 2HD1 LEU 52 14.092 -10.977 -8.175 407 3HD1 LEU 52 1HD1 LEU 52 15.553 -11.101 -7.195 408 1HD2 LEU 52 1HD2 LEU 52 12.683 -11.458 -4.807 409 2HD2 LEU 52 3HD2 LEU 52 14.060 -10.434 -5.211 410 3HD2 LEU 52 2HD2 LEU 52 12.640 -10.452 -6.256 411 H TYR 53 HN TYR 53 11.481 -15.588 -8.865 412 HA TYR 53 HA TYR 53 9.787 -16.662 -6.861 413 1HB TYR 53 HB2 TYR 53 9.948 -16.817 -9.827 414 2HB TYR 53 HB1 TYR 53 9.050 -18.092 -9.013 415 HD1 TYR 53 HD1 TYR 53 7.725 -16.690 -6.827 416 HD2 TYR 53 HD2 TYR 53 8.393 -15.429 -10.836 417 HE1 TYR 53 HE1 TYR 53 5.766 -15.213 -6.683 418 HE2 TYR 53 HE2 TYR 53 6.436 -13.948 -10.702 419 HH TYR 53 HH TYR 53 5.154 -12.805 -8.270 420 H SER 54 HN SER 54 12.108 -18.210 -9.089 421 HA SER 54 HA SER 54 11.809 -20.824 -8.102 422 1HB SER 54 HB2 SER 54 14.020 -21.259 -9.173 423 2HB SER 54 HB1 SER 54 12.891 -20.426 -10.239 424 HG SER 54 HG SER 54 14.096 -18.666 -10.170 425 H LYS 55 HN LYS 55 14.073 -18.237 -7.206 426 HA LYS 55 HA LYS 55 15.591 -19.699 -5.344 427 1HB LYS 55 HB2 LYS 55 14.996 -16.740 -5.518 428 2HB LYS 55 HB1 LYS 55 16.162 -17.436 -4.401 429 1HG LYS 55 HG2 LYS 55 17.714 -17.723 -5.996 430 2HG LYS 55 HG1 LYS 55 16.530 -18.215 -7.208 431 1HD LYS 55 HD2 LYS 55 16.756 -16.208 -8.144 432 2HD LYS 55 HD1 LYS 55 16.008 -15.510 -6.707 433 1HE LYS 55 HE2 LYS 55 17.933 -14.359 -6.552 434 2HE LYS 55 HE1 LYS 55 18.553 -15.849 -5.843 435 1HZ LYS 55 HZ3 LYS 55 19.271 -16.511 -8.099 436 2HZ LYS 55 HZ2 LYS 55 18.798 -14.994 -8.676 437 3HZ LYS 55 HZ1 LYS 55 20.045 -15.113 -7.540 438 H SER 56 HN SER 56 12.775 -17.564 -4.869 439 HA SER 56 HA SER 56 12.591 -17.874 -2.084 440 1HB SER 56 HB2 SER 56 10.381 -16.900 -2.272 441 2HB SER 56 HB1 SER 56 11.476 -16.074 -3.379 442 HG SER 56 HG SER 56 10.017 -16.538 -4.815 443 H THR 57 HN THR 57 11.773 -20.147 -4.554 444 HA THR 57 HA THR 57 9.617 -21.481 -3.394 445 HB THR 57 HB THR 57 11.866 -22.752 -4.967 446 HG1 THR 57 HG1 THR 57 9.534 -21.406 -5.854 447 1HG2 THR 57 3HG2 THR 57 8.993 -23.553 -4.596 448 2HG2 THR 57 2HG2 THR 57 10.077 -24.243 -5.805 449 3HG2 THR 57 1HG2 THR 57 10.429 -24.443 -4.089 450 H ALA 58 HN ALA 58 13.110 -22.069 -2.990 451 HA ALA 58 HA ALA 58 12.599 -24.008 -0.885 452 1HB ALA 58 HB1 ALA 58 14.367 -24.464 -2.501 453 2HB ALA 58 HB3 ALA 58 15.208 -22.994 -2.007 454 3HB ALA 58 HB2 ALA 58 15.021 -24.328 -0.869 455 H ALA 59 HN ALA 59 14.111 -20.808 -1.228 456 HA ALA 59 HA ALA 59 14.930 -20.503 1.443 457 1HB ALA 59 HB3 ALA 59 15.014 -18.075 0.913 458 2HB ALA 59 HB1 ALA 59 14.257 -18.433 -0.640 459 3HB ALA 59 HB2 ALA 59 15.848 -19.093 -0.260 460 H MET 60 HN MET 60 12.126 -18.944 -0.144 461 HA MET 60 HA MET 60 10.988 -17.967 2.225 462 1HB MET 60 HB2 MET 60 10.501 -17.473 -0.334 463 2HB MET 60 HB1 MET 60 9.214 -18.642 -0.070 464 1HG MET 60 HG2 MET 60 8.044 -17.260 1.293 465 2HG MET 60 HG1 MET 60 9.487 -16.455 1.905 466 1HE MET 60 HE2 MET 60 7.868 -14.250 1.754 467 2HE MET 60 HE1 MET 60 9.601 -13.999 1.538 468 3HE MET 60 HE3 MET 60 8.452 -13.173 0.485 469 H SER 61 HN SER 61 11.020 -21.186 1.019 470 HA SER 61 HA SER 61 8.544 -22.092 2.051 471 1HB SER 61 HB2 SER 61 10.842 -23.252 0.760 472 2HB SER 61 HB1 SER 61 10.357 -24.252 2.128 473 HG SER 61 HG SER 61 8.543 -24.742 1.142 474 H THR 62 HN THR 62 11.461 -21.216 3.621 475 HA THR 62 HA THR 62 10.786 -22.755 6.022 476 HB THR 62 HB THR 62 13.014 -22.061 6.851 477 HG1 THR 62 HG1 THR 62 13.714 -20.298 5.934 478 1HG2 THR 62 2HG2 THR 62 12.810 -24.136 5.519 479 2HG2 THR 62 1HG2 THR 62 13.240 -23.209 4.082 480 3HG2 THR 62 3HG2 THR 62 14.394 -23.369 5.406 481 H TYR 63 HN TYR 63 11.569 -19.429 5.020 482 HA TYR 63 HA TYR 63 10.965 -18.212 7.478 483 1HB TYR 63 HB2 TYR 63 10.843 -16.935 4.740 484 2HB TYR 63 HB1 TYR 63 11.059 -16.115 6.282 485 HD1 TYR 63 HD1 TYR 63 13.172 -17.007 7.668 486 HD2 TYR 63 HD2 TYR 63 12.718 -17.274 3.446 487 HE1 TYR 63 HE1 TYR 63 15.611 -17.194 7.423 488 HE2 TYR 63 HE2 TYR 63 15.155 -17.463 3.189 489 HH TYR 63 HH TYR 63 17.155 -18.366 5.214 490 H THR 64 HN THR 64 8.945 -19.452 4.963 491 HA THR 64 HA THR 64 6.708 -17.761 5.452 492 HB THR 64 HB THR 64 7.075 -20.382 4.040 493 HG1 THR 64 HG1 THR 64 7.315 -18.939 2.541 494 1HG2 THR 64 3HG2 THR 64 4.435 -19.140 4.737 495 2HG2 THR 64 2HG2 THR 64 4.657 -20.179 3.329 496 3HG2 THR 64 1HG2 THR 64 4.956 -20.813 4.948 497 H GLY 65 HN GLY 65 7.356 -21.134 6.380 498 1HA GLY 65 HA1 GLY 65 6.591 -22.368 8.166 499 2HA GLY 65 HA2 GLY 65 5.185 -21.307 8.195 500 H ILE 66 HN ILE 66 8.565 -20.359 8.530 501 HA ILE 66 HA ILE 66 8.637 -20.182 11.353 502 HB ILE 66 HB ILE 66 10.300 -18.838 9.222 503 1HG1 ILE 66 2HG1 ILE 66 11.180 -20.891 11.243 504 2HG1 ILE 66 1HG1 ILE 66 10.404 -21.370 9.736 505 1HG2 ILE 66 1HG2 ILE 66 10.480 -18.596 12.212 506 2HG2 ILE 66 3HG2 ILE 66 11.873 -18.333 11.164 507 3HG2 ILE 66 2HG2 ILE 66 10.444 -17.313 11.003 508 1HD1 ILE 66 1HD1 ILE 66 12.271 -19.810 8.705 509 2HD1 ILE 66 3HD1 ILE 66 13.093 -20.223 10.209 510 3HD1 ILE 66 2HD1 ILE 66 12.577 -21.499 9.106 511 H PHE 67 HN PHE 67 8.374 -17.590 8.911 512 HA PHE 67 HA PHE 67 7.910 -15.448 10.598 513 1HB PHE 67 HB2 PHE 67 8.268 -15.169 8.196 514 2HB PHE 67 HB1 PHE 67 6.710 -15.916 7.858 515 HD1 PHE 67 HD1 PHE 67 8.356 -12.952 9.312 516 HD2 PHE 67 HD2 PHE 67 4.704 -14.671 7.962 517 HE1 PHE 67 HE1 PHE 67 7.277 -10.745 9.429 518 HE2 PHE 67 HE2 PHE 67 3.619 -12.467 8.076 519 HZ PHE 67 HZ PHE 67 4.906 -10.500 8.810 520 H THR 68 HN THR 68 5.420 -17.443 9.007 521 HA THR 68 HA THR 68 3.239 -16.267 10.339 522 HB THR 68 HB THR 68 3.359 -19.045 9.165 523 HG1 THR 68 HG1 THR 68 2.877 -16.545 7.919 524 1HG2 THR 68 2HG2 THR 68 1.081 -17.177 9.721 525 2HG2 THR 68 1HG2 THR 68 0.966 -18.509 8.571 526 3HG2 THR 68 3HG2 THR 68 1.301 -18.838 10.271 527 H ASP 69 HN ASP 69 5.526 -18.612 11.372 528 HA ASP 69 HA ASP 69 4.035 -20.067 13.241 529 1HB ASP 69 HB2 ASP 69 6.715 -19.946 12.511 530 2HB ASP 69 HB1 ASP 69 6.722 -19.458 14.201 531 H GLN 70 HN GLN 70 6.017 -17.150 13.808 532 HA GLN 70 HA GLN 70 5.102 -16.792 16.478 533 1HB GLN 70 HB2 GLN 70 6.532 -14.949 14.564 534 2HB GLN 70 HB1 GLN 70 6.147 -14.501 16.220 535 1HG GLN 70 HG2 GLN 70 7.947 -15.538 16.973 536 2HG GLN 70 HG1 GLN 70 7.455 -17.044 16.200 537 1HE2 GLN 70 1HE2 GLN 70 8.317 -17.599 14.213 538 2HE2 GLN 70 2HE2 GLN 70 9.666 -16.773 13.519 539 H VAL 71 HN VAL 71 3.855 -15.841 13.389 540 HA VAL 71 HA VAL 71 2.225 -13.674 14.243 541 HB VAL 71 HB VAL 71 1.905 -15.504 11.849 542 1HG1 VAL 71 2HG1 VAL 71 0.498 -12.955 12.608 543 2HG1 VAL 71 1HG1 VAL 71 0.544 -13.566 10.954 544 3HG1 VAL 71 3HG1 VAL 71 -0.213 -14.523 12.226 545 1HG2 VAL 71 2HG2 VAL 71 3.967 -13.869 12.228 546 2HG2 VAL 71 1HG2 VAL 71 3.236 -14.107 10.642 547 3HG2 VAL 71 3HG2 VAL 71 2.814 -12.690 11.603 548 H LEU 72 HN LEU 72 1.531 -17.069 13.491 549 HA LEU 72 HA LEU 72 -1.131 -17.133 14.348 550 1HB LEU 72 HB2 LEU 72 0.681 -18.959 13.297 551 2HB LEU 72 HB1 LEU 72 0.332 -19.598 14.892 552 HG LEU 72 HG LEU 72 -1.916 -18.814 13.071 553 1HD1 LEU 72 2HD1 LEU 72 -0.400 -21.419 13.008 554 2HD1 LEU 72 1HD1 LEU 72 -1.963 -21.138 12.241 555 3HD1 LEU 72 3HD1 LEU 72 -0.542 -20.245 11.699 556 1HD2 LEU 72 2HD2 LEU 72 -1.600 -20.854 15.270 557 2HD2 LEU 72 1HD2 LEU 72 -2.461 -19.319 15.374 558 3HD2 LEU 72 3HD2 LEU 72 -3.066 -20.599 14.321 559 H SER 73 HN SER 73 1.923 -17.414 16.067 560 HA SER 73 HA SER 73 0.943 -18.340 18.526 561 1HB SER 73 HB2 SER 73 3.078 -18.093 19.247 562 2HB SER 73 HB1 SER 73 3.431 -17.688 17.570 563 HG SER 73 HG SER 73 3.487 -15.575 18.074 564 H VAL 74 HN VAL 74 1.038 -15.115 17.156 565 HA VAL 74 HA VAL 74 0.224 -13.772 19.545 566 HB VAL 74 HB VAL 74 -0.108 -12.817 16.693 567 1HG1 VAL 74 3HG1 VAL 74 -0.214 -11.458 19.365 568 2HG1 VAL 74 2HG1 VAL 74 0.168 -10.564 17.894 569 3HG1 VAL 74 1HG1 VAL 74 -1.379 -11.398 18.042 570 1HG2 VAL 74 2HG2 VAL 74 2.279 -13.142 18.345 571 2HG2 VAL 74 1HG2 VAL 74 2.128 -12.880 16.608 572 3HG2 VAL 74 3HG2 VAL 74 2.074 -11.508 17.714 573 H LEU 75 HN LEU 75 -1.417 -15.655 17.175 574 HA LEU 75 HA LEU 75 -3.992 -14.498 17.334 575 1HB LEU 75 HB2 LEU 75 -2.920 -16.401 15.774 576 2HB LEU 75 HB1 LEU 75 -3.766 -17.424 16.920 577 HG LEU 75 HG LEU 75 -5.370 -15.215 15.810 578 1HD1 LEU 75 2HD1 LEU 75 -4.072 -15.819 13.836 579 2HD1 LEU 75 1HD1 LEU 75 -4.499 -17.515 14.064 580 3HD1 LEU 75 3HD1 LEU 75 -5.751 -16.334 13.677 581 1HD2 LEU 75 3HD2 LEU 75 -6.256 -16.975 17.298 582 2HD2 LEU 75 2HD2 LEU 75 -7.070 -16.930 15.734 583 3HD2 LEU 75 1HD2 LEU 75 -5.870 -18.179 16.068 584 H LYS 76 HN LYS 76 -2.269 -16.820 19.262 585 HA LYS 76 HA LYS 76 -4.493 -17.675 20.834 586 1HB LYS 76 HB2 LYS 76 -1.713 -18.303 20.629 587 2HB LYS 76 HB1 LYS 76 -2.073 -17.953 22.313 588 1HG LYS 76 HG2 LYS 76 -2.923 -19.977 22.547 589 2HG LYS 76 HG1 LYS 76 -4.147 -19.609 21.331 590 1HD LYS 76 HD2 LYS 76 -1.391 -20.403 20.481 591 2HD LYS 76 HD1 LYS 76 -2.543 -21.638 20.993 592 1HE LYS 76 HE2 LYS 76 -3.851 -21.369 19.163 593 2HE LYS 76 HE1 LYS 76 -3.541 -19.637 19.062 594 1HZ LYS 76 HZ1 LYS 76 -1.541 -21.701 18.323 595 2HZ LYS 76 HZ3 LYS 76 -2.595 -20.982 17.211 596 3HZ LYS 76 HZ2 LYS 76 -1.457 -20.037 18.030 597 H GLY 77 HN GLY 77 -1.934 -15.247 21.281 598 1HA GLY 77 HA1 GLY 77 -1.624 -13.912 23.233 599 2HA GLY 77 HA2 GLY 77 -3.247 -14.340 23.750 600 H GLU 78 HN GLU 78 -4.699 -13.747 21.440 601 HA GLU 78 HA GLU 78 -4.983 -10.932 21.701 602 1HB GLU 78 HB2 GLU 78 -2.981 -11.166 20.137 603 2HB GLU 78 HB1 GLU 78 -4.105 -11.821 18.955 604 1HG GLU 78 HG2 GLU 78 -4.930 -9.274 20.152 605 2HG GLU 78 HG1 GLU 78 -3.452 -9.203 19.194 606 H GLU 79 HN GLU 79 -5.538 -13.415 19.180 607 HA GLU 79 HA GLU 79 -8.172 -12.485 18.611 608 1HB GLU 79 HB2 GLU 79 -6.414 -14.656 17.681 609 2HB GLU 79 HB1 GLU 79 -8.128 -15.033 17.618 610 1HG GLU 79 HG2 GLU 79 -7.461 -14.146 15.507 611 2HG GLU 79 HG1 GLU 79 -8.492 -12.966 16.310 No H/Q in entry = 611 Start of MODEL 11 1 H1 THR 1 HT2 THR 1 14.507 -15.768 32.660 2 H2 THR 1 HT1 THR 1 15.802 -16.029 33.756 3 H3 THR 1 HT3 THR 1 14.483 -17.123 33.712 4 HA THR 1 HA THR 1 13.014 -15.530 34.554 5 HB THR 1 HB THR 1 14.312 -14.954 36.722 6 HG1 THR 1 HG1 THR 1 16.399 -15.018 35.953 7 1HG2 THR 1 1HG2 THR 1 12.893 -16.963 36.470 8 2HG2 THR 1 3HG2 THR 1 14.308 -17.842 35.892 9 3HG2 THR 1 2HG2 THR 1 14.280 -17.199 37.533 10 H GLN 2 HN GLN 2 12.370 -13.580 33.903 11 HA GLN 2 HA GLN 2 12.284 -11.331 33.591 12 1HB GLN 2 HB2 GLN 2 13.738 -11.565 35.857 13 2HB GLN 2 HB1 GLN 2 14.916 -10.771 34.824 14 1HG GLN 2 HG2 GLN 2 12.769 -9.232 34.339 15 2HG GLN 2 HG1 GLN 2 12.416 -9.746 35.988 16 1HE2 GLN 2 1HE2 GLN 2 13.879 -9.195 37.654 17 2HE2 GLN 2 2HE2 GLN 2 14.993 -7.888 37.468 18 H GLN 3 HN GLN 3 12.576 -10.466 31.648 19 HA GLN 3 HA GLN 3 14.609 -11.286 29.885 20 1HB GLN 3 HB2 GLN 3 12.466 -10.506 29.059 21 2HB GLN 3 HB1 GLN 3 12.750 -8.907 29.725 22 1HG GLN 3 HG2 GLN 3 14.944 -9.420 28.073 23 2HG GLN 3 HG1 GLN 3 13.536 -10.004 27.189 24 1HE2 GLN 3 1HE2 GLN 3 14.824 -7.202 28.916 25 2HE2 GLN 3 2HE2 GLN 3 13.960 -6.020 28.001 26 HA PRO 4 HA PRO 4 16.871 -7.202 30.719 27 1HB PRO 4 HB2 PRO 4 15.859 -5.291 32.278 28 2HB PRO 4 HB1 PRO 4 15.246 -5.558 30.643 29 1HG PRO 4 HG2 PRO 4 14.047 -6.309 33.261 30 2HG PRO 4 HG1 PRO 4 13.251 -5.793 31.766 31 1HD PRO 4 HD2 PRO 4 13.570 -8.442 32.669 32 2HD PRO 4 HD1 PRO 4 13.048 -7.932 31.054 33 H GLN 5 HN GLN 5 16.636 -9.523 32.690 34 HA GLN 5 HA GLN 5 17.418 -8.505 35.244 35 1HB GLN 5 HB2 GLN 5 16.581 -10.963 34.286 36 2HB GLN 5 HB1 GLN 5 18.272 -11.242 34.671 37 1HG GLN 5 HG2 GLN 5 17.712 -10.127 36.926 38 2HG GLN 5 HG1 GLN 5 16.035 -10.439 36.486 39 1HE2 GLN 5 1HE2 GLN 5 15.288 -12.195 37.429 40 2HE2 GLN 5 2HE2 GLN 5 16.168 -13.652 37.719 41 H GLN 6 HN GLN 6 19.577 -9.582 36.186 42 HA GLN 6 HA GLN 6 21.721 -8.221 34.914 43 1HB GLN 6 HB2 GLN 6 21.608 -10.178 37.206 44 2HB GLN 6 HB1 GLN 6 23.124 -9.497 36.634 45 1HG GLN 6 HG2 GLN 6 22.510 -7.321 37.268 46 2HG GLN 6 HG1 GLN 6 20.818 -7.773 37.477 47 1HE2 GLN 6 1HE2 GLN 6 24.024 -7.930 38.844 48 2HE2 GLN 6 2HE2 GLN 6 23.536 -8.393 40.434 49 H ASP 7 HN ASP 7 21.182 -11.709 35.477 50 HA ASP 7 HA ASP 7 23.283 -12.509 33.725 51 1HB ASP 7 HB2 ASP 7 22.337 -13.853 35.669 52 2HB ASP 7 HB1 ASP 7 20.968 -14.225 34.626 53 H GLU 8 HN GLU 8 19.747 -12.579 33.464 54 HA GLU 8 HA GLU 8 19.714 -13.487 30.767 55 1HB GLU 8 HB2 GLU 8 17.656 -12.329 32.620 56 2HB GLU 8 HB1 GLU 8 17.280 -12.568 30.921 57 1HG GLU 8 HG2 GLU 8 16.501 -14.441 32.222 58 2HG GLU 8 HG1 GLU 8 17.800 -14.949 31.145 59 H MET 9 HN MET 9 20.390 -12.342 29.084 60 HA MET 9 HA MET 9 20.754 -9.527 29.144 61 1HB MET 9 HB2 MET 9 20.829 -11.512 26.870 62 2HB MET 9 HB1 MET 9 21.225 -9.809 26.682 63 1HG MET 9 HG2 MET 9 22.644 -11.736 28.508 64 2HG MET 9 HG1 MET 9 23.212 -11.223 26.920 65 1HE MET 9 HE1 MET 9 22.256 -10.037 30.531 66 2HE MET 9 HE3 MET 9 23.844 -10.804 30.497 67 3HE MET 9 HE2 MET 9 23.702 -9.088 30.876 68 HA PRO 10 HA PRO 10 16.643 -8.271 28.011 69 1HB PRO 10 HB2 PRO 10 17.166 -5.682 27.424 70 2HB PRO 10 HB1 PRO 10 17.142 -6.295 29.081 71 1HG PRO 10 HG2 PRO 10 19.481 -5.764 27.291 72 2HG PRO 10 HG1 PRO 10 19.284 -5.394 29.014 73 1HD PRO 10 HD2 PRO 10 20.676 -7.547 28.107 74 2HD PRO 10 HD1 PRO 10 19.818 -7.535 29.661 75 H SER 11 HN SER 11 15.609 -6.919 26.161 76 HA SER 11 HA SER 11 16.314 -8.173 23.696 77 1HB SER 11 HB2 SER 11 13.967 -7.587 24.402 78 2HB SER 11 HB1 SER 11 14.361 -5.897 24.094 79 HG SER 11 HG SER 11 14.413 -6.273 21.979 80 HA PRO 12 HA PRO 12 19.321 -5.228 22.257 81 1HB PRO 12 HB2 PRO 12 18.521 -6.161 19.564 82 2HB PRO 12 HB1 PRO 12 20.108 -6.185 20.338 83 1HG PRO 12 HG2 PRO 12 18.701 -8.432 19.997 84 2HG PRO 12 HG1 PRO 12 19.684 -8.169 21.449 85 1HD PRO 12 HD2 PRO 12 16.721 -7.935 21.096 86 2HD PRO 12 HD1 PRO 12 17.645 -8.605 22.457 87 H THR 13 HN THR 13 19.384 -3.202 21.306 88 HA THR 13 HA THR 13 16.886 -1.855 21.003 89 HB THR 13 HB THR 13 18.410 0.082 20.279 90 HG1 THR 13 HG1 THR 13 20.315 -0.643 19.732 91 1HG2 THR 13 3HG2 THR 13 17.614 -0.121 22.574 92 2HG2 THR 13 2HG2 THR 13 18.971 -1.181 22.951 93 3HG2 THR 13 1HG2 THR 13 19.262 0.500 22.505 94 H PHE 14 HN PHE 14 15.764 -2.715 19.287 95 HA PHE 14 HA PHE 14 16.958 -2.950 16.674 96 1HB PHE 14 HB2 PHE 14 14.056 -3.218 17.489 97 2HB PHE 14 HB1 PHE 14 14.752 -3.715 15.951 98 HD1 PHE 14 HD1 PHE 14 13.579 -4.933 18.922 99 HD2 PHE 14 HD2 PHE 14 16.968 -5.280 16.369 100 HE1 PHE 14 HE1 PHE 14 14.061 -7.153 19.867 101 HE2 PHE 14 HE2 PHE 14 17.454 -7.500 17.310 102 HZ PHE 14 HZ PHE 14 15.999 -8.439 19.061 103 H LEU 15 HN LEU 15 14.655 -0.778 18.266 104 HA LEU 15 HA LEU 15 13.966 0.752 16.005 105 1HB LEU 15 HB2 LEU 15 13.869 1.203 18.957 106 2HB LEU 15 HB1 LEU 15 13.584 2.559 17.882 107 HG LEU 15 HG LEU 15 11.822 0.994 16.773 108 1HD1 LEU 15 2HD1 LEU 15 12.184 -0.293 19.473 109 2HD1 LEU 15 1HD1 LEU 15 10.778 -0.531 18.436 110 3HD1 LEU 15 3HD1 LEU 15 12.373 -1.052 17.892 111 1HD2 LEU 15 1HD2 LEU 15 11.312 3.061 17.975 112 2HD2 LEU 15 3HD2 LEU 15 10.120 1.807 18.315 113 3HD2 LEU 15 2HD2 LEU 15 11.365 2.187 19.505 114 H THR 16 HN THR 16 16.540 1.146 18.417 115 HA THR 16 HA THR 16 17.541 3.614 17.574 116 HB THR 16 HB THR 16 19.005 1.268 18.802 117 HG1 THR 16 HG1 THR 16 17.574 1.930 20.276 118 1HG2 THR 16 2HG2 THR 16 19.859 4.135 18.519 119 2HG2 THR 16 1HG2 THR 16 20.580 2.998 19.659 120 3HG2 THR 16 3HG2 THR 16 20.688 2.696 17.924 121 H GLN 17 HN GLN 17 18.254 0.337 16.429 122 HA GLN 17 HA GLN 17 20.384 0.982 14.713 123 1HB GLN 17 HB2 GLN 17 18.385 -1.274 14.704 124 2HB GLN 17 HB1 GLN 17 19.669 -1.158 13.509 125 1HG GLN 17 HG2 GLN 17 21.351 -1.385 15.160 126 2HG GLN 17 HG1 GLN 17 20.187 -1.178 16.467 127 1HE2 GLN 17 1HE2 GLN 17 21.910 -3.392 14.686 128 2HE2 GLN 17 2HE2 GLN 17 21.008 -4.814 15.075 129 H VAL 18 HN VAL 18 16.902 0.673 14.061 130 HA VAL 18 HA VAL 18 16.510 0.913 11.466 131 HB VAL 18 HB VAL 18 15.192 2.751 13.470 132 1HG1 VAL 18 3HG1 VAL 18 14.482 2.054 10.634 133 2HG1 VAL 18 2HG1 VAL 18 13.289 2.654 11.786 134 3HG1 VAL 18 1HG1 VAL 18 14.678 3.651 11.357 135 1HG2 VAL 18 1HG2 VAL 18 14.641 -0.056 12.565 136 2HG2 VAL 18 3HG2 VAL 18 14.783 0.574 14.206 137 3HG2 VAL 18 2HG2 VAL 18 13.364 0.960 13.233 138 H LYS 19 HN LYS 19 17.285 3.839 13.376 139 HA LYS 19 HA LYS 19 17.356 5.682 11.329 140 1HB LYS 19 HB2 LYS 19 18.107 5.621 14.048 141 2HB LYS 19 HB1 LYS 19 19.491 6.255 13.169 142 1HG LYS 19 HG2 LYS 19 18.229 8.130 13.769 143 2HG LYS 19 HG1 LYS 19 17.868 7.861 12.063 144 1HD LYS 19 HD2 LYS 19 15.843 6.540 12.866 145 2HD LYS 19 HD1 LYS 19 16.156 7.237 14.456 146 1HE LYS 19 HE2 LYS 19 15.975 9.030 12.074 147 2HE LYS 19 HE1 LYS 19 14.496 8.395 12.792 148 1HZ LYS 19 HZ1 LYS 19 16.580 9.953 14.226 149 2HZ LYS 19 HZ3 LYS 19 15.078 10.546 13.721 150 3HZ LYS 19 HZ2 LYS 19 15.158 9.348 14.913 151 H GLU 20 HN GLU 20 20.170 3.892 12.599 152 HA GLU 20 HA GLU 20 21.980 4.828 10.649 153 1HB GLU 20 HB2 GLU 20 22.065 2.319 12.332 154 2HB GLU 20 HB1 GLU 20 23.411 2.923 11.376 155 1HG GLU 20 HG2 GLU 20 23.969 3.780 13.399 156 2HG GLU 20 HG1 GLU 20 22.989 5.108 12.784 157 H SER 21 HN SER 21 19.639 2.277 10.631 158 HA SER 21 HA SER 21 20.666 0.686 8.551 159 1HB SER 21 HB2 SER 21 18.655 0.298 10.209 160 2HB SER 21 HB1 SER 21 17.710 1.012 8.902 161 HG SER 21 HG SER 21 17.885 -1.292 8.771 162 H LEU 22 HN LEU 22 18.273 3.337 8.456 163 HA LEU 22 HA LEU 22 18.026 3.277 5.620 164 1HB LEU 22 HB2 LEU 22 16.671 5.225 5.826 165 2HB LEU 22 HB1 LEU 22 16.282 4.157 7.159 166 HG LEU 22 HG LEU 22 18.266 5.869 8.154 167 1HD1 LEU 22 1HD1 LEU 22 17.869 7.319 6.202 168 2HD1 LEU 22 3HD1 LEU 22 16.171 7.440 6.664 169 3HD1 LEU 22 2HD1 LEU 22 17.421 8.088 7.724 170 1HD2 LEU 22 3HD2 LEU 22 16.344 4.913 9.361 171 2HD2 LEU 22 2HD2 LEU 22 16.497 6.652 9.607 172 3HD2 LEU 22 1HD2 LEU 22 15.275 6.022 8.503 173 H SER 23 HN SER 23 20.073 5.071 7.858 174 HA SER 23 HA SER 23 21.021 7.033 6.103 175 1HB SER 23 HB2 SER 23 22.447 5.702 8.420 176 2HB SER 23 HB1 SER 23 22.981 7.182 7.624 177 HG SER 23 HG SER 23 21.292 8.261 8.459 178 H SER 24 HN SER 24 22.586 3.960 7.002 179 HA SER 24 HA SER 24 24.595 4.093 5.022 180 1HB SER 24 HB2 SER 24 24.975 1.708 5.537 181 2HB SER 24 HB1 SER 24 24.817 2.671 7.006 182 HG SER 24 HG SER 24 22.975 1.701 7.463 183 H TYR 25 HN TYR 25 21.257 3.343 4.799 184 HA TYR 25 HA TYR 25 21.400 1.577 2.554 185 1HB TYR 25 HB2 TYR 25 19.454 1.561 4.036 186 2HB TYR 25 HB1 TYR 25 19.090 3.228 3.604 187 HD1 TYR 25 HD1 TYR 25 19.136 -0.249 2.379 188 HD2 TYR 25 HD2 TYR 25 17.964 3.758 1.560 189 HE1 TYR 25 HE1 TYR 25 17.746 -1.043 0.512 190 HE2 TYR 25 HE2 TYR 25 16.569 2.976 -0.307 191 HH TYR 25 HH TYR 25 16.815 0.475 -1.865 192 H TRP 26 HN TRP 26 20.845 5.063 2.958 193 HA TRP 26 HA TRP 26 20.305 5.636 0.254 194 1HB TRP 26 HB2 TRP 26 19.762 7.214 2.038 195 2HB TRP 26 HB1 TRP 26 21.472 7.419 2.402 196 HD1 TRP 26 HD1 TRP 26 22.264 9.686 1.551 197 HE1 TRP 26 HE1 TRP 26 21.843 11.139 -0.530 198 HE3 TRP 26 HE3 TRP 26 18.852 6.719 -0.839 199 HZ2 TRP 26 HZ2 TRP 26 20.276 11.042 -2.874 200 HZ3 TRP 26 HZ3 TRP 26 17.942 7.473 -2.997 201 HH2 TRP 26 HH2 TRP 26 18.640 9.591 -3.992 202 H GLU 27 HN GLU 27 23.308 5.414 2.066 203 HA GLU 27 HA GLU 27 25.193 6.573 0.510 204 1HB GLU 27 HB2 GLU 27 25.692 5.356 2.588 205 2HB GLU 27 HB1 GLU 27 25.410 3.829 1.767 206 1HG GLU 27 HG2 GLU 27 27.432 5.637 0.585 207 2HG GLU 27 HG1 GLU 27 27.837 4.861 2.115 208 H SER 28 HN SER 28 24.169 3.187 0.087 209 HA SER 28 HA SER 28 25.297 3.145 -2.594 210 1HB SER 28 HB2 SER 28 24.006 0.992 -0.905 211 2HB SER 28 HB1 SER 28 24.621 0.727 -2.536 212 HG SER 28 HG SER 28 26.664 1.065 -1.834 213 H ALA 29 HN ALA 29 22.297 3.884 -1.172 214 HA ALA 29 HA ALA 29 20.484 2.782 -3.017 215 1HB ALA 29 HB3 ALA 29 19.727 3.734 -0.927 216 2HB ALA 29 HB1 ALA 29 18.927 4.536 -2.277 217 3HB ALA 29 HB2 ALA 29 20.253 5.337 -1.438 218 H LYS 30 HN LYS 30 22.409 5.743 -3.158 219 HA LYS 30 HA LYS 30 21.171 7.043 -5.260 220 1HB LYS 30 HB2 LYS 30 23.200 7.753 -3.798 221 2HB LYS 30 HB1 LYS 30 24.163 6.993 -5.057 222 1HG LYS 30 HG2 LYS 30 22.899 8.486 -6.692 223 2HG LYS 30 HG1 LYS 30 22.363 9.381 -5.268 224 1HD LYS 30 HD2 LYS 30 24.808 9.581 -4.640 225 2HD LYS 30 HD1 LYS 30 25.178 8.972 -6.255 226 1HE LYS 30 HE2 LYS 30 24.124 10.843 -7.286 227 2HE LYS 30 HE1 LYS 30 23.441 11.380 -5.752 228 1HZ LYS 30 HZ2 LYS 30 25.705 11.803 -4.961 229 2HZ LYS 30 HZ1 LYS 30 26.325 11.347 -6.467 230 3HZ LYS 30 HZ3 LYS 30 25.342 12.718 -6.335 231 H THR 31 HN THR 31 23.907 4.771 -5.544 232 HA THR 31 HA THR 31 24.134 4.679 -8.287 233 HB THR 31 HB THR 31 25.047 2.405 -8.030 234 HG1 THR 31 HG1 THR 31 24.010 1.308 -6.552 235 1HG2 THR 31 2HG2 THR 31 26.399 4.410 -7.315 236 2HG2 THR 31 1HG2 THR 31 25.962 3.993 -5.658 237 3HG2 THR 31 3HG2 THR 31 26.881 2.854 -6.641 238 H ALA 32 HN ALA 32 21.817 3.087 -6.187 239 HA ALA 32 HA ALA 32 20.614 1.411 -8.113 240 1HB ALA 32 HB1 ALA 32 18.941 2.569 -5.945 241 2HB ALA 32 HB3 ALA 32 19.072 0.902 -6.508 242 3HB ALA 32 HB2 ALA 32 20.333 1.588 -5.483 243 H ALA 33 HN ALA 33 19.891 4.735 -7.053 244 HA ALA 33 HA ALA 33 17.592 5.237 -8.493 245 1HB ALA 33 HB1 ALA 33 18.775 6.782 -6.868 246 2HB ALA 33 HB3 ALA 33 19.795 7.265 -8.224 247 3HB ALA 33 HB2 ALA 33 18.055 7.545 -8.286 248 H GLN 34 HN GLN 34 20.930 5.715 -9.621 249 HA GLN 34 HA GLN 34 20.206 6.446 -12.256 250 1HB GLN 34 HB2 GLN 34 22.765 5.301 -11.121 251 2HB GLN 34 HB1 GLN 34 22.598 5.806 -12.796 252 1HG GLN 34 HG2 GLN 34 23.538 7.669 -11.869 253 2HG GLN 34 HG1 GLN 34 21.824 8.063 -11.743 254 1HE2 GLN 34 1HE2 GLN 34 24.516 6.646 -9.929 255 2HE2 GLN 34 2HE2 GLN 34 23.984 7.189 -8.378 256 H ASN 35 HN ASN 35 20.906 3.382 -10.674 257 HA ASN 35 HA ASN 35 20.946 1.748 -12.970 258 1HB ASN 35 HB2 ASN 35 21.675 1.135 -10.595 259 2HB ASN 35 HB1 ASN 35 19.970 0.843 -10.265 260 1HD2 ASN 35 1HD2 ASN 35 22.528 -0.021 -12.568 261 2HD2 ASN 35 2HD2 ASN 35 22.006 -1.651 -12.795 262 H LEU 36 HN LEU 36 18.339 3.178 -11.210 263 HA LEU 36 HA LEU 36 16.203 1.526 -11.930 264 1HB LEU 36 HB2 LEU 36 16.193 3.529 -10.330 265 2HB LEU 36 HB1 LEU 36 16.043 4.535 -11.757 266 HG LEU 36 HG LEU 36 14.066 2.339 -11.435 267 1HD1 LEU 36 1HD1 LEU 36 14.191 3.254 -9.179 268 2HD1 LEU 36 3HD1 LEU 36 13.968 4.882 -9.820 269 3HD1 LEU 36 2HD1 LEU 36 12.673 3.694 -9.962 270 1HD2 LEU 36 2HD2 LEU 36 14.001 5.178 -12.442 271 2HD2 LEU 36 1HD2 LEU 36 13.912 3.695 -13.392 272 3HD2 LEU 36 3HD2 LEU 36 12.578 4.142 -12.327 273 H TYR 37 HN TYR 37 17.685 4.313 -13.476 274 HA TYR 37 HA TYR 37 16.097 4.318 -15.823 275 1HB TYR 37 HB2 TYR 37 18.747 5.496 -15.065 276 2HB TYR 37 HB1 TYR 37 18.251 5.506 -16.754 277 HD1 TYR 37 HD1 TYR 37 17.429 6.741 -13.377 278 HD2 TYR 37 HD2 TYR 37 16.541 6.986 -17.533 279 HE1 TYR 37 HE1 TYR 37 16.095 8.765 -12.967 280 HE2 TYR 37 HE2 TYR 37 15.206 9.013 -17.132 281 HH TYR 37 HH TYR 37 15.378 10.921 -14.891 282 H GLU 38 HN GLU 38 19.074 2.676 -14.884 283 HA GLU 38 HA GLU 38 19.830 1.671 -17.389 284 1HB GLU 38 HB2 GLU 38 20.248 0.438 -14.664 285 2HB GLU 38 HB1 GLU 38 21.068 -0.072 -16.133 286 1HG GLU 38 HG2 GLU 38 21.426 2.412 -14.527 287 2HG GLU 38 HG1 GLU 38 22.634 1.296 -15.158 288 H LYS 39 HN LYS 39 18.024 -0.065 -14.860 289 HA LYS 39 HA LYS 39 17.439 -2.318 -16.408 290 1HB LYS 39 HB2 LYS 39 15.977 -2.983 -14.685 291 2HB LYS 39 HB1 LYS 39 17.241 -2.058 -13.890 292 1HG LYS 39 HG2 LYS 39 15.577 -0.970 -12.889 293 2HG LYS 39 HG1 LYS 39 15.366 -0.139 -14.430 294 1HD LYS 39 HD2 LYS 39 13.256 -0.904 -14.305 295 2HD LYS 39 HD1 LYS 39 13.956 -2.425 -14.862 296 1HE LYS 39 HE2 LYS 39 13.851 -1.779 -11.939 297 2HE LYS 39 HE1 LYS 39 12.427 -2.412 -12.764 298 1HZ LYS 39 HZ1 LYS 39 13.850 -4.294 -13.515 299 2HZ LYS 39 HZ3 LYS 39 15.079 -3.717 -12.504 300 3HZ LYS 39 HZ2 LYS 39 13.612 -4.234 -11.841 301 H THR 40 HN THR 40 16.198 0.828 -16.761 302 HA THR 40 HA THR 40 13.558 0.164 -17.619 303 HB THR 40 HB THR 40 15.175 2.606 -18.370 304 HG1 THR 40 HG1 THR 40 13.584 2.099 -16.080 305 1HG2 THR 40 2HG2 THR 40 12.205 2.159 -18.218 306 2HG2 THR 40 1HG2 THR 40 12.982 3.727 -18.436 307 3HG2 THR 40 3HG2 THR 40 13.162 2.476 -19.665 308 H TYR 41 HN TYR 41 16.638 0.642 -19.236 309 HA TYR 41 HA TYR 41 15.695 0.443 -21.894 310 1HB TYR 41 HB2 TYR 41 18.465 -0.401 -21.091 311 2HB TYR 41 HB1 TYR 41 17.941 0.405 -22.564 312 HD1 TYR 41 HD1 TYR 41 19.955 0.943 -19.959 313 HD2 TYR 41 HD2 TYR 41 16.505 2.730 -21.694 314 HE1 TYR 41 HE1 TYR 41 20.590 3.106 -18.980 315 HE2 TYR 41 HE2 TYR 41 17.132 4.899 -20.720 316 HH TYR 41 HH TYR 41 19.898 5.777 -19.807 317 H LEU 42 HN LEU 42 17.202 -1.987 -19.753 318 HA LEU 42 HA LEU 42 16.807 -4.101 -21.676 319 1HB LEU 42 HB2 LEU 42 17.875 -3.983 -18.876 320 2HB LEU 42 HB1 LEU 42 17.531 -5.525 -19.633 321 HG LEU 42 HG LEU 42 19.859 -5.091 -19.898 322 1HD1 LEU 42 3HD1 LEU 42 18.592 -6.021 -21.852 323 2HD1 LEU 42 2HD1 LEU 42 18.609 -4.399 -22.545 324 3HD1 LEU 42 1HD1 LEU 42 20.126 -5.248 -22.249 325 1HD2 LEU 42 3HD2 LEU 42 19.560 -2.579 -19.585 326 2HD2 LEU 42 2HD2 LEU 42 20.810 -3.109 -20.710 327 3HD2 LEU 42 1HD2 LEU 42 19.267 -2.516 -21.323 328 HA PRO 43 HA PRO 43 12.851 -5.436 -20.133 329 1HB PRO 43 HB2 PRO 43 12.550 -7.621 -21.619 330 2HB PRO 43 HB1 PRO 43 12.662 -6.027 -22.374 331 1HG PRO 43 HG2 PRO 43 14.711 -8.181 -22.186 332 2HG PRO 43 HG1 PRO 43 14.403 -7.034 -23.499 333 1HD PRO 43 HD2 PRO 43 16.377 -6.810 -21.494 334 2HD PRO 43 HD1 PRO 43 15.883 -5.549 -22.639 335 H ALA 44 HN ALA 44 15.205 -6.232 -18.471 336 HA ALA 44 HA ALA 44 15.078 -8.974 -17.810 337 1HB ALA 44 HB3 ALA 44 16.083 -6.600 -16.259 338 2HB ALA 44 HB2 ALA 44 16.264 -8.271 -15.725 339 3HB ALA 44 HB1 ALA 44 17.023 -7.737 -17.224 340 H VAL 45 HN VAL 45 12.929 -6.417 -17.085 341 HA VAL 45 HA VAL 45 11.944 -6.866 -14.588 342 HB VAL 45 HB VAL 45 10.280 -6.286 -17.045 343 1HG1 VAL 45 1HG1 VAL 45 9.689 -6.050 -14.105 344 2HG1 VAL 45 3HG1 VAL 45 8.791 -5.152 -15.329 345 3HG1 VAL 45 2HG1 VAL 45 8.776 -6.915 -15.341 346 1HG2 VAL 45 3HG2 VAL 45 11.842 -4.530 -15.174 347 2HG2 VAL 45 2HG2 VAL 45 11.893 -4.589 -16.936 348 3HG2 VAL 45 1HG2 VAL 45 10.489 -3.908 -16.118 349 H ASP 46 HN ASP 46 10.762 -8.515 -17.533 350 HA ASP 46 HA ASP 46 9.016 -10.251 -16.154 351 1HB ASP 46 HB2 ASP 46 9.142 -11.622 -18.312 352 2HB ASP 46 HB1 ASP 46 8.553 -9.970 -18.442 353 H GLU 47 HN GLU 47 12.418 -10.541 -17.041 354 HA GLU 47 HA GLU 47 12.654 -13.321 -16.469 355 1HB GLU 47 HB2 GLU 47 14.269 -11.727 -17.758 356 2HB GLU 47 HB1 GLU 47 14.942 -11.398 -16.168 357 1HG GLU 47 HG2 GLU 47 14.678 -14.162 -17.321 358 2HG GLU 47 HG1 GLU 47 16.119 -13.163 -17.494 359 H LYS 48 HN LYS 48 13.473 -10.427 -14.562 360 HA LYS 48 HA LYS 48 14.443 -11.618 -12.270 361 1HB LYS 48 HB2 LYS 48 12.832 -9.086 -12.585 362 2HB LYS 48 HB1 LYS 48 13.618 -9.552 -11.085 363 1HG LYS 48 HG2 LYS 48 15.677 -9.012 -11.833 364 2HG LYS 48 HG1 LYS 48 15.328 -9.512 -13.489 365 1HD LYS 48 HD2 LYS 48 14.619 -7.458 -14.095 366 2HD LYS 48 HD1 LYS 48 13.818 -7.167 -12.551 367 1HE LYS 48 HE2 LYS 48 15.538 -5.964 -11.817 368 2HE LYS 48 HE1 LYS 48 16.674 -7.255 -12.204 369 1HZ LYS 48 HZ1 LYS 48 15.639 -5.514 -14.345 370 2HZ LYS 48 HZ3 LYS 48 16.906 -4.978 -13.360 371 3HZ LYS 48 HZ2 LYS 48 17.088 -6.383 -14.283 372 H LEU 49 HN LEU 49 11.134 -11.465 -13.366 373 HA LEU 49 HA LEU 49 9.836 -11.882 -10.898 374 1HB LEU 49 HB2 LEU 49 9.112 -12.253 -13.764 375 2HB LEU 49 HB1 LEU 49 8.121 -13.064 -12.566 376 HG LEU 49 HG LEU 49 8.637 -10.193 -12.077 377 1HD1 LEU 49 1HD1 LEU 49 7.082 -11.200 -14.435 378 2HD1 LEU 49 3HD1 LEU 49 6.699 -9.666 -13.653 379 3HD1 LEU 49 2HD1 LEU 49 8.290 -9.917 -14.371 380 1HD2 LEU 49 3HD2 LEU 49 7.219 -11.545 -10.613 381 2HD2 LEU 49 2HD2 LEU 49 6.299 -10.257 -11.392 382 3HD2 LEU 49 1HD2 LEU 49 6.162 -11.915 -11.976 383 H ARG 50 HN ARG 50 10.337 -14.268 -13.509 384 HA ARG 50 HA ARG 50 9.916 -16.518 -11.852 385 1HB ARG 50 HB2 ARG 50 11.041 -16.076 -14.584 386 2HB ARG 50 HB1 ARG 50 11.320 -17.630 -13.810 387 1HG ARG 50 HG2 ARG 50 9.395 -17.971 -15.058 388 2HG ARG 50 HG1 ARG 50 8.785 -17.677 -13.430 389 1HD ARG 50 HD2 ARG 50 9.067 -15.201 -14.880 390 2HD ARG 50 HD1 ARG 50 8.074 -16.341 -15.786 391 HE ARG 50 HE ARG 50 7.408 -15.034 -13.305 392 1HH1 ARG 50 1HH1 ARG 50 6.712 -17.763 -15.390 393 2HH1 ARG 50 2HH1 ARG 50 5.114 -17.989 -14.765 394 1HH2 ARG 50 1HH2 ARG 50 5.296 -15.338 -12.492 395 2HH2 ARG 50 2HH2 ARG 50 4.311 -16.615 -13.121 396 H ASP 51 HN ASP 51 12.749 -14.618 -12.662 397 HA ASP 51 HA ASP 51 14.792 -16.324 -11.843 398 1HB ASP 51 HB2 ASP 51 15.021 -14.080 -13.000 399 2HB ASP 51 HB1 ASP 51 14.782 -13.332 -11.426 400 H LEU 52 HN LEU 52 13.263 -13.737 -9.917 401 HA LEU 52 HA LEU 52 14.449 -14.700 -7.482 402 1HB LEU 52 HB2 LEU 52 12.607 -12.458 -8.202 403 2HB LEU 52 HB1 LEU 52 12.791 -12.919 -6.522 404 HG LEU 52 HG LEU 52 15.346 -12.655 -6.998 405 1HD1 LEU 52 1HD1 LEU 52 15.122 -12.373 -9.417 406 2HD1 LEU 52 3HD1 LEU 52 14.160 -10.917 -9.160 407 3HD1 LEU 52 2HD1 LEU 52 15.853 -10.955 -8.665 408 1HD2 LEU 52 2HD2 LEU 52 14.057 -11.278 -5.447 409 2HD2 LEU 52 1HD2 LEU 52 15.215 -10.303 -6.353 410 3HD2 LEU 52 3HD2 LEU 52 13.506 -10.273 -6.788 411 H TYR 53 HN TYR 53 11.707 -15.640 -9.229 412 HA TYR 53 HA TYR 53 9.896 -16.168 -7.113 413 1HB TYR 53 HB2 TYR 53 10.056 -16.723 -9.973 414 2HB TYR 53 HB1 TYR 53 9.340 -18.056 -9.078 415 HD1 TYR 53 HD1 TYR 53 7.837 -16.691 -6.971 416 HD2 TYR 53 HD2 TYR 53 8.311 -15.662 -11.074 417 HE1 TYR 53 HE1 TYR 53 5.688 -15.497 -6.917 418 HE2 TYR 53 HE2 TYR 53 6.168 -14.463 -11.026 419 HH TYR 53 HH TYR 53 4.750 -13.305 -8.780 420 H SER 54 HN SER 54 12.030 -18.372 -8.947 421 HA SER 54 HA SER 54 11.597 -20.630 -7.333 422 1HB SER 54 HB2 SER 54 13.743 -21.472 -8.340 423 2HB SER 54 HB1 SER 54 12.565 -20.905 -9.522 424 HG SER 54 HG SER 54 13.844 -19.292 -10.042 425 H LYS 55 HN LYS 55 14.074 -18.095 -7.184 426 HA LYS 55 HA LYS 55 15.624 -19.198 -5.117 427 1HB LYS 55 HB2 LYS 55 15.202 -16.338 -5.987 428 2HB LYS 55 HB1 LYS 55 16.367 -16.805 -4.756 429 1HG LYS 55 HG2 LYS 55 17.742 -17.875 -6.271 430 2HG LYS 55 HG1 LYS 55 16.445 -18.099 -7.445 431 1HD LYS 55 HD2 LYS 55 16.431 -15.539 -7.625 432 2HD LYS 55 HD1 LYS 55 17.994 -15.607 -6.808 433 1HE LYS 55 HE2 LYS 55 18.367 -17.462 -8.735 434 2HE LYS 55 HE1 LYS 55 17.250 -16.373 -9.556 435 1HZ LYS 55 HZ1 LYS 55 18.755 -14.538 -9.080 436 2HZ LYS 55 HZ3 LYS 55 19.828 -15.591 -8.305 437 3HZ LYS 55 HZ2 LYS 55 19.541 -15.747 -9.964 438 H SER 56 HN SER 56 12.986 -16.797 -4.971 439 HA SER 56 HA SER 56 13.016 -16.469 -2.179 440 1HB SER 56 HB2 SER 56 10.848 -15.404 -2.428 441 2HB SER 56 HB1 SER 56 11.899 -14.910 -3.753 442 HG SER 56 HG SER 56 9.577 -16.400 -3.794 443 H THR 57 HN THR 57 10.972 -18.611 -4.198 444 HA THR 57 HA THR 57 9.410 -19.665 -2.144 445 HB THR 57 HB THR 57 9.130 -21.651 -3.694 446 HG1 THR 57 HG1 THR 57 10.884 -21.797 -4.908 447 1HG2 THR 57 2HG2 THR 57 8.689 -18.870 -4.721 448 2HG2 THR 57 1HG2 THR 57 8.139 -20.306 -5.585 449 3HG2 THR 57 3HG2 THR 57 7.527 -19.961 -3.967 450 H ALA 58 HN ALA 58 12.632 -20.606 -3.253 451 HA ALA 58 HA ALA 58 12.878 -23.058 -1.947 452 1HB ALA 58 HB2 ALA 58 15.296 -22.704 -2.063 453 2HB ALA 58 HB3 ALA 58 15.032 -21.003 -2.446 454 3HB ALA 58 HB1 ALA 58 14.509 -22.253 -3.576 455 H ALA 59 HN ALA 59 14.136 -19.916 -0.781 456 HA ALA 59 HA ALA 59 14.698 -20.801 1.834 457 1HB ALA 59 HB1 ALA 59 14.155 -17.997 0.862 458 2HB ALA 59 HB2 ALA 59 15.722 -18.806 0.882 459 3HB ALA 59 HB3 ALA 59 14.905 -18.429 2.398 460 H MET 60 HN MET 60 11.756 -19.644 0.349 461 HA MET 60 HA MET 60 10.324 -18.884 2.634 462 1HB MET 60 HB2 MET 60 9.807 -19.172 -0.139 463 2HB MET 60 HB1 MET 60 8.544 -20.040 0.720 464 1HG MET 60 HG2 MET 60 7.689 -17.900 0.478 465 2HG MET 60 HG1 MET 60 8.303 -17.922 2.131 466 1HE MET 60 HE2 MET 60 9.867 -16.673 3.084 467 2HE MET 60 HE1 MET 60 11.401 -16.888 2.239 468 3HE MET 60 HE3 MET 60 10.715 -15.273 2.426 469 H SER 61 HN SER 61 11.305 -22.032 1.688 470 HA SER 61 HA SER 61 9.122 -23.516 2.707 471 1HB SER 61 HB2 SER 61 10.588 -25.444 2.605 472 2HB SER 61 HB1 SER 61 10.853 -24.448 1.175 473 HG SER 61 HG SER 61 12.790 -23.862 1.917 474 H THR 62 HN THR 62 11.612 -21.780 4.277 475 HA THR 62 HA THR 62 11.069 -23.164 6.817 476 HB THR 62 HB THR 62 13.194 -22.068 7.605 477 HG1 THR 62 HG1 THR 62 13.765 -20.500 6.306 478 1HG2 THR 62 1HG2 THR 62 13.203 -24.399 6.815 479 2HG2 THR 62 3HG2 THR 62 13.579 -23.821 5.192 480 3HG2 THR 62 2HG2 THR 62 14.722 -23.558 6.508 481 H TYR 63 HN TYR 63 11.555 -19.930 5.405 482 HA TYR 63 HA TYR 63 10.833 -18.468 7.682 483 1HB TYR 63 HB2 TYR 63 10.845 -17.726 4.756 484 2HB TYR 63 HB1 TYR 63 10.529 -16.577 6.051 485 HD1 TYR 63 HD1 TYR 63 12.408 -16.741 8.014 486 HD2 TYR 63 HD2 TYR 63 12.985 -17.722 3.912 487 HE1 TYR 63 HE1 TYR 63 14.824 -16.361 8.268 488 HE2 TYR 63 HE2 TYR 63 15.402 -17.345 4.157 489 HH TYR 63 HH TYR 63 17.029 -17.416 6.701 490 H THR 64 HN THR 64 8.899 -20.175 5.370 491 HA THR 64 HA THR 64 6.551 -18.595 5.689 492 HB THR 64 HB THR 64 7.060 -21.354 4.619 493 HG1 THR 64 HG1 THR 64 7.391 -19.813 3.120 494 1HG2 THR 64 2HG2 THR 64 4.366 -20.146 5.154 495 2HG2 THR 64 1HG2 THR 64 4.637 -21.361 3.905 496 3HG2 THR 64 3HG2 THR 64 4.960 -21.747 5.595 497 H GLY 65 HN GLY 65 7.365 -21.812 6.979 498 1HA GLY 65 HA1 GLY 65 6.700 -22.856 8.918 499 2HA GLY 65 HA2 GLY 65 5.246 -21.864 8.850 500 H ILE 66 HN ILE 66 8.578 -20.719 9.013 501 HA ILE 66 HA ILE 66 8.678 -20.228 11.795 502 HB ILE 66 HB ILE 66 10.249 -19.091 9.488 503 1HG1 ILE 66 2HG1 ILE 66 11.222 -20.778 11.791 504 2HG1 ILE 66 1HG1 ILE 66 10.518 -21.499 10.347 505 1HG2 ILE 66 2HG2 ILE 66 10.408 -18.372 12.399 506 2HG2 ILE 66 1HG2 ILE 66 11.799 -18.218 11.325 507 3HG2 ILE 66 3HG2 ILE 66 10.327 -17.303 10.998 508 1HD1 ILE 66 3HD1 ILE 66 12.318 -19.977 9.153 509 2HD1 ILE 66 2HD1 ILE 66 13.120 -20.134 10.716 510 3HD1 ILE 66 1HD1 ILE 66 12.714 -21.576 9.785 511 H PHE 67 HN PHE 67 8.225 -17.938 9.089 512 HA PHE 67 HA PHE 67 7.694 -15.650 10.546 513 1HB PHE 67 HB2 PHE 67 7.971 -15.619 8.117 514 2HB PHE 67 HB1 PHE 67 6.445 -16.471 7.914 515 HD1 PHE 67 HD1 PHE 67 7.973 -13.292 9.001 516 HD2 PHE 67 HD2 PHE 67 4.385 -15.315 7.932 517 HE1 PHE 67 HE1 PHE 67 6.790 -11.138 8.914 518 HE2 PHE 67 HE2 PHE 67 3.194 -13.164 7.842 519 HZ PHE 67 HZ PHE 67 4.397 -11.072 8.333 520 H THR 68 HN THR 68 5.236 -17.871 9.220 521 HA THR 68 HA THR 68 3.062 -16.662 10.537 522 HB THR 68 HB THR 68 1.797 -18.685 9.926 523 HG1 THR 68 HG1 THR 68 3.043 -20.402 10.053 524 1HG2 THR 68 2HG2 THR 68 2.167 -16.993 8.191 525 2HG2 THR 68 1HG2 THR 68 3.631 -17.841 7.696 526 3HG2 THR 68 3HG2 THR 68 2.061 -18.626 7.533 527 H ASP 69 HN ASP 69 5.480 -18.771 11.717 528 HA ASP 69 HA ASP 69 4.099 -20.183 13.696 529 1HB ASP 69 HB2 ASP 69 6.742 -19.980 12.938 530 2HB ASP 69 HB1 ASP 69 6.753 -19.277 14.551 531 H GLN 70 HN GLN 70 5.948 -17.151 14.126 532 HA GLN 70 HA GLN 70 4.900 -16.671 16.728 533 1HB GLN 70 HB2 GLN 70 5.999 -14.490 16.569 534 2HB GLN 70 HB1 GLN 70 7.072 -15.780 16.042 535 1HG GLN 70 HG2 GLN 70 7.410 -14.721 14.135 536 2HG GLN 70 HG1 GLN 70 5.692 -14.836 13.758 537 1HE2 GLN 70 1HE2 GLN 70 4.387 -13.060 14.027 538 2HE2 GLN 70 2HE2 GLN 70 4.994 -11.489 14.403 539 H VAL 71 HN VAL 71 3.761 -15.943 13.545 540 HA VAL 71 HA VAL 71 2.052 -13.766 14.198 541 HB VAL 71 HB VAL 71 1.890 -15.750 11.914 542 1HG1 VAL 71 2HG1 VAL 71 0.333 -13.236 12.469 543 2HG1 VAL 71 1HG1 VAL 71 0.491 -13.919 10.850 544 3HG1 VAL 71 3HG1 VAL 71 -0.282 -14.854 12.131 545 1HG2 VAL 71 2HG2 VAL 71 3.894 -14.108 12.200 546 2HG2 VAL 71 1HG2 VAL 71 3.119 -14.281 10.626 547 3HG2 VAL 71 3HG2 VAL 71 2.738 -12.896 11.650 548 H LEU 72 HN LEU 72 1.438 -17.207 13.601 549 HA LEU 72 HA LEU 72 -1.243 -17.269 14.402 550 1HB LEU 72 HB2 LEU 72 0.890 -19.409 14.479 551 2HB LEU 72 HB1 LEU 72 -0.800 -19.716 14.833 552 HG LEU 72 HG LEU 72 -0.040 -18.482 12.212 553 1HD1 LEU 72 2HD1 LEU 72 1.406 -20.456 12.502 554 2HD1 LEU 72 1HD1 LEU 72 -0.029 -21.441 12.784 555 3HD1 LEU 72 3HD1 LEU 72 0.216 -20.667 11.218 556 1HD2 LEU 72 3HD2 LEU 72 -2.398 -18.583 12.846 557 2HD2 LEU 72 2HD2 LEU 72 -2.061 -19.626 11.465 558 3HD2 LEU 72 1HD2 LEU 72 -2.266 -20.327 13.070 559 H SER 73 HN SER 73 1.788 -17.521 16.173 560 HA SER 73 HA SER 73 0.779 -18.299 18.665 561 1HB SER 73 HB2 SER 73 3.232 -18.129 17.927 562 2HB SER 73 HB1 SER 73 3.114 -16.420 18.344 563 HG SER 73 HG SER 73 3.847 -17.467 20.146 564 H VAL 74 HN VAL 74 1.102 -15.089 17.234 565 HA VAL 74 HA VAL 74 0.243 -13.715 19.586 566 HB VAL 74 HB VAL 74 1.548 -12.787 17.521 567 1HG1 VAL 74 2HG1 VAL 74 -0.928 -13.227 16.297 568 2HG1 VAL 74 1HG1 VAL 74 -0.811 -11.482 16.513 569 3HG1 VAL 74 3HG1 VAL 74 0.451 -12.348 15.640 570 1HG2 VAL 74 1HG2 VAL 74 0.949 -11.547 19.567 571 2HG2 VAL 74 3HG2 VAL 74 0.907 -10.541 18.120 572 3HG2 VAL 74 2HG2 VAL 74 -0.597 -11.124 18.832 573 H LEU 75 HN LEU 75 -1.409 -15.518 17.196 574 HA LEU 75 HA LEU 75 -3.890 -14.162 17.155 575 1HB LEU 75 HB2 LEU 75 -3.023 -16.037 15.608 576 2HB LEU 75 HB1 LEU 75 -3.606 -17.134 16.845 577 HG LEU 75 HG LEU 75 -5.614 -15.171 16.047 578 1HD1 LEU 75 1HD1 LEU 75 -4.484 -15.371 13.894 579 2HD1 LEU 75 3HD1 LEU 75 -4.612 -17.128 13.984 580 3HD1 LEU 75 2HD1 LEU 75 -6.069 -16.142 13.857 581 1HD2 LEU 75 2HD2 LEU 75 -5.536 -18.183 16.154 582 2HD2 LEU 75 1HD2 LEU 75 -6.136 -17.098 17.409 583 3HD2 LEU 75 3HD2 LEU 75 -6.981 -17.213 15.865 584 H LYS 76 HN LYS 76 -2.515 -16.619 19.214 585 HA LYS 76 HA LYS 76 -4.880 -17.128 20.730 586 1HB LYS 76 HB2 LYS 76 -2.635 -18.509 20.471 587 2HB LYS 76 HB1 LYS 76 -2.162 -17.580 21.887 588 1HG LYS 76 HG2 LYS 76 -3.890 -18.495 23.194 589 2HG LYS 76 HG1 LYS 76 -4.718 -19.149 21.780 590 1HD LYS 76 HD2 LYS 76 -2.565 -20.529 21.433 591 2HD LYS 76 HD1 LYS 76 -2.206 -20.110 23.109 592 1HE LYS 76 HE2 LYS 76 -3.309 -22.112 23.371 593 2HE LYS 76 HE1 LYS 76 -4.635 -20.963 23.542 594 1HZ LYS 76 HZ2 LYS 76 -3.934 -22.422 21.049 595 2HZ LYS 76 HZ1 LYS 76 -5.219 -22.802 22.082 596 3HZ LYS 76 HZ3 LYS 76 -5.220 -21.338 21.233 597 H GLY 77 HN GLY 77 -2.121 -14.948 21.074 598 1HA GLY 77 HA1 GLY 77 -1.616 -13.418 22.754 599 2HA GLY 77 HA2 GLY 77 -2.999 -13.998 23.668 600 H GLU 78 HN GLU 78 -5.164 -13.352 22.831 601 HA GLU 78 HA GLU 78 -6.688 -11.756 22.305 602 1HB GLU 78 HB2 GLU 78 -4.324 -9.910 22.685 603 2HB GLU 78 HB1 GLU 78 -5.996 -9.384 22.551 604 1HG GLU 78 HG2 GLU 78 -5.688 -9.392 24.822 605 2HG GLU 78 HG1 GLU 78 -6.393 -10.985 24.553 606 H GLU 79 HN GLU 79 -5.189 -13.045 20.124 607 HA GLU 79 HA GLU 79 -5.240 -12.987 17.852 608 1HB GLU 79 HB2 GLU 79 -7.258 -11.264 18.498 609 2HB GLU 79 HB1 GLU 79 -6.211 -10.229 17.537 610 1HG GLU 79 HG2 GLU 79 -7.348 -12.878 16.670 611 2HG GLU 79 HG1 GLU 79 -7.927 -11.289 16.175 No H/Q in entry = 611 Start of MODEL 12 1 H1 THR 1 HT1 THR 1 23.514 -5.255 27.914 2 H2 THR 1 HT3 THR 1 24.782 -5.013 26.786 3 H3 THR 1 HT2 THR 1 24.596 -3.938 28.111 4 HA THR 1 HA THR 1 22.713 -2.990 27.264 5 HB THR 1 HB THR 1 24.365 -3.580 24.804 6 HG1 THR 1 HG1 THR 1 25.972 -2.954 26.015 7 1HG2 THR 1 3HG2 THR 1 22.301 -2.042 24.753 8 2HG2 THR 1 2HG2 THR 1 23.325 -0.907 25.632 9 3HG2 THR 1 1HG2 THR 1 23.809 -1.477 24.035 10 H GLN 2 HN GLN 2 23.547 -5.801 25.230 11 HA GLN 2 HA GLN 2 20.674 -6.124 24.651 12 1HB GLN 2 HB2 GLN 2 23.040 -6.208 22.855 13 2HB GLN 2 HB1 GLN 2 21.783 -7.401 22.561 14 1HG GLN 2 HG2 GLN 2 21.216 -5.629 21.176 15 2HG GLN 2 HG1 GLN 2 20.158 -5.433 22.572 16 1HE2 GLN 2 1HE2 GLN 2 19.915 -3.369 23.048 17 2HE2 GLN 2 2HE2 GLN 2 21.148 -2.160 23.005 18 H GLN 3 HN GLN 3 23.694 -8.022 24.386 19 HA GLN 3 HA GLN 3 22.289 -10.432 25.159 20 1HB GLN 3 HB2 GLN 3 24.994 -9.788 24.100 21 2HB GLN 3 HB1 GLN 3 24.827 -11.265 25.040 22 1HG GLN 3 HG2 GLN 3 24.511 -11.955 22.849 23 2HG GLN 3 HG1 GLN 3 22.873 -11.814 23.486 24 1HE2 GLN 3 1HE2 GLN 3 21.529 -10.184 22.732 25 2HE2 GLN 3 2HE2 GLN 3 21.898 -9.258 21.321 26 HA PRO 4 HA PRO 4 25.012 -10.083 29.035 27 1HB PRO 4 HB2 PRO 4 26.991 -8.317 29.247 28 2HB PRO 4 HB1 PRO 4 27.163 -9.746 28.219 29 1HG PRO 4 HG2 PRO 4 26.600 -6.916 27.453 30 2HG PRO 4 HG1 PRO 4 27.612 -8.119 26.637 31 1HD PRO 4 HD2 PRO 4 24.979 -7.456 25.960 32 2HD PRO 4 HD1 PRO 4 25.860 -8.899 25.425 33 H GLN 5 HN GLN 5 22.679 -8.432 28.499 34 HA GLN 5 HA GLN 5 22.926 -5.932 29.852 35 1HB GLN 5 HB2 GLN 5 20.992 -7.179 28.263 36 2HB GLN 5 HB1 GLN 5 20.227 -6.993 29.835 37 1HG GLN 5 HG2 GLN 5 21.664 -4.640 28.774 38 2HG GLN 5 HG1 GLN 5 20.182 -5.110 27.945 39 1HE2 GLN 5 1HE2 GLN 5 21.401 -3.224 30.343 40 2HE2 GLN 5 2HE2 GLN 5 19.977 -3.013 31.299 41 H GLN 6 HN GLN 6 21.646 -5.377 31.797 42 HA GLN 6 HA GLN 6 22.374 -7.021 33.988 43 1HB GLN 6 HB2 GLN 6 21.739 -4.382 33.669 44 2HB GLN 6 HB1 GLN 6 20.295 -4.988 34.467 45 1HG GLN 6 HG2 GLN 6 22.142 -6.093 36.046 46 2HG GLN 6 HG1 GLN 6 23.048 -4.687 35.489 47 1HE2 GLN 6 1HE2 GLN 6 20.678 -5.836 37.620 48 2HE2 GLN 6 2HE2 GLN 6 20.179 -4.316 38.269 49 H ASP 7 HN ASP 7 20.021 -6.696 35.653 50 HA ASP 7 HA ASP 7 18.669 -9.115 35.000 51 1HB ASP 7 HB2 ASP 7 18.076 -7.021 37.101 52 2HB ASP 7 HB1 ASP 7 17.261 -8.578 36.990 53 H GLU 8 HN GLU 8 17.976 -5.726 34.517 54 HA GLU 8 HA GLU 8 15.206 -6.011 33.921 55 1HB GLU 8 HB2 GLU 8 15.441 -3.731 32.925 56 2HB GLU 8 HB1 GLU 8 16.025 -3.850 34.578 57 1HG GLU 8 HG2 GLU 8 18.126 -4.357 32.648 58 2HG GLU 8 HG1 GLU 8 17.373 -2.781 32.413 59 H MET 9 HN MET 9 14.305 -5.410 31.729 60 HA MET 9 HA MET 9 15.236 -7.271 29.795 61 1HB MET 9 HB2 MET 9 13.126 -5.124 29.751 62 2HB MET 9 HB1 MET 9 13.505 -6.069 28.317 63 1HG MET 9 HG2 MET 9 12.052 -7.577 29.020 64 2HG MET 9 HG1 MET 9 13.162 -7.950 30.337 65 1HE MET 9 HE3 MET 9 10.486 -5.268 29.283 66 2HE MET 9 HE2 MET 9 9.655 -6.817 29.420 67 3HE MET 9 HE1 MET 9 9.290 -5.517 30.555 68 HA PRO 10 HA PRO 10 18.290 -4.754 27.771 69 1HB PRO 10 HB2 PRO 10 18.482 -6.170 25.449 70 2HB PRO 10 HB1 PRO 10 19.215 -6.693 26.970 71 1HG PRO 10 HG2 PRO 10 16.645 -7.564 25.708 72 2HG PRO 10 HG1 PRO 10 17.889 -8.544 26.503 73 1HD PRO 10 HD2 PRO 10 15.597 -7.842 27.744 74 2HD PRO 10 HD1 PRO 10 17.131 -8.017 28.619 75 H SER 11 HN SER 11 18.406 -3.137 26.244 76 HA SER 11 HA SER 11 15.931 -2.156 25.210 77 1HB SER 11 HB2 SER 11 17.856 -0.727 26.017 78 2HB SER 11 HB1 SER 11 18.702 -1.154 24.530 79 HG SER 11 HG SER 11 17.319 0.026 23.379 80 HA PRO 12 HA PRO 12 15.867 -4.183 21.270 81 1HB PRO 12 HB2 PRO 12 14.480 -1.779 20.261 82 2HB PRO 12 HB1 PRO 12 13.919 -3.452 20.335 83 1HG PRO 12 HG2 PRO 12 12.936 -1.576 21.975 84 2HG PRO 12 HG1 PRO 12 13.182 -3.247 22.517 85 1HD PRO 12 HD2 PRO 12 14.863 -0.821 23.028 86 2HD PRO 12 HD1 PRO 12 14.415 -2.136 24.134 87 H THR 13 HN THR 13 17.882 -4.213 20.401 88 HA THR 13 HA THR 13 19.299 -1.867 19.615 89 HB THR 13 HB THR 13 20.399 -3.985 20.317 90 HG1 THR 13 HG1 THR 13 21.899 -2.930 19.298 91 1HG2 THR 13 3HG2 THR 13 18.905 -5.518 19.000 92 2HG2 THR 13 2HG2 THR 13 19.809 -5.028 17.566 93 3HG2 THR 13 1HG2 THR 13 20.633 -5.846 18.893 94 H PHE 14 HN PHE 14 17.328 -4.242 17.894 95 HA PHE 14 HA PHE 14 17.965 -3.432 15.271 96 1HB PHE 14 HB2 PHE 14 15.444 -4.719 16.342 97 2HB PHE 14 HB1 PHE 14 15.841 -4.563 14.634 98 HD1 PHE 14 HD1 PHE 14 16.273 -6.498 17.618 99 HD2 PHE 14 HD2 PHE 14 17.904 -5.725 13.764 100 HE1 PHE 14 HE1 PHE 14 17.504 -8.625 17.718 101 HE2 PHE 14 HE2 PHE 14 19.138 -7.851 13.857 102 HZ PHE 14 HZ PHE 14 18.938 -9.305 15.834 103 H LEU 15 HN LEU 15 15.355 -2.431 17.470 104 HA LEU 15 HA LEU 15 14.043 -0.697 15.684 105 1HB LEU 15 HB2 LEU 15 14.119 -0.986 18.658 106 2HB LEU 15 HB1 LEU 15 13.360 0.433 17.965 107 HG LEU 15 HG LEU 15 11.911 -1.148 16.609 108 1HD1 LEU 15 1HD1 LEU 15 13.225 -3.115 18.462 109 2HD1 LEU 15 3HD1 LEU 15 11.654 -3.415 17.719 110 3HD1 LEU 15 2HD1 LEU 15 13.079 -3.187 16.705 111 1HD2 LEU 15 1HD2 LEU 15 11.694 -1.200 19.617 112 2HD2 LEU 15 3HD2 LEU 15 11.067 0.052 18.546 113 3HD2 LEU 15 2HD2 LEU 15 10.393 -1.577 18.488 114 H THR 16 HN THR 16 16.352 0.070 18.302 115 HA THR 16 HA THR 16 16.583 2.805 17.789 116 HB THR 16 HB THR 16 18.811 2.604 18.959 117 HG1 THR 16 HG1 THR 16 19.572 0.635 18.596 118 1HG2 THR 16 1HG2 THR 16 16.495 1.235 20.304 119 2HG2 THR 16 3HG2 THR 16 17.926 1.876 21.111 120 3HG2 THR 16 2HG2 THR 16 16.817 2.969 20.283 121 H GLN 17 HN GLN 17 18.209 0.073 16.280 122 HA GLN 17 HA GLN 17 20.281 1.456 14.993 123 1HB GLN 17 HB2 GLN 17 19.939 -1.073 15.260 124 2HB GLN 17 HB1 GLN 17 18.929 -0.964 13.828 125 1HG GLN 17 HG2 GLN 17 21.649 0.212 13.704 126 2HG GLN 17 HG1 GLN 17 21.501 -1.543 13.699 127 1HE2 GLN 17 1HE2 GLN 17 22.400 0.331 11.609 128 2HE2 GLN 17 2HE2 GLN 17 21.400 0.008 10.238 129 H VAL 18 HN VAL 18 16.903 1.071 14.130 130 HA VAL 18 HA VAL 18 16.557 1.422 11.550 131 HB VAL 18 HB VAL 18 14.751 1.648 13.226 132 1HG1 VAL 18 3HG1 VAL 18 15.966 3.472 14.527 133 2HG1 VAL 18 2HG1 VAL 18 15.344 4.590 13.312 134 3HG1 VAL 18 1HG1 VAL 18 14.226 3.659 14.309 135 1HG2 VAL 18 3HG2 VAL 18 14.439 2.140 10.802 136 2HG2 VAL 18 2HG2 VAL 18 13.305 2.979 11.862 137 3HG2 VAL 18 1HG2 VAL 18 14.673 3.849 11.169 138 H LYS 19 HN LYS 19 17.566 4.206 13.562 139 HA LYS 19 HA LYS 19 17.665 6.156 11.609 140 1HB LYS 19 HB2 LYS 19 19.426 5.748 14.026 141 2HB LYS 19 HB1 LYS 19 19.486 7.194 13.028 142 1HG LYS 19 HG2 LYS 19 17.481 7.970 13.782 143 2HG LYS 19 HG1 LYS 19 16.849 6.354 14.099 144 1HD LYS 19 HD2 LYS 19 17.182 7.118 16.241 145 2HD LYS 19 HD1 LYS 19 18.721 6.314 15.934 146 1HE LYS 19 HE2 LYS 19 19.750 8.437 15.373 147 2HE LYS 19 HE1 LYS 19 18.205 9.264 15.567 148 1HZ LYS 19 HZ2 LYS 19 18.214 8.651 17.908 149 2HZ LYS 19 HZ1 LYS 19 19.700 7.863 17.720 150 3HZ LYS 19 HZ3 LYS 19 19.598 9.540 17.515 151 H GLU 20 HN GLU 20 20.408 4.152 12.683 152 HA GLU 20 HA GLU 20 22.175 4.991 10.653 153 1HB GLU 20 HB2 GLU 20 22.292 2.340 12.087 154 2HB GLU 20 HB1 GLU 20 23.627 3.233 11.376 155 1HG GLU 20 HG2 GLU 20 24.008 3.914 13.466 156 2HG GLU 20 HG1 GLU 20 22.683 5.038 13.171 157 H SER 21 HN SER 21 19.654 2.624 10.716 158 HA SER 21 HA SER 21 20.477 0.971 8.591 159 1HB SER 21 HB2 SER 21 18.422 0.863 10.331 160 2HB SER 21 HB1 SER 21 17.567 1.467 8.912 161 HG SER 21 HG SER 21 17.952 -0.368 7.871 162 H LEU 22 HN LEU 22 18.611 3.978 8.657 163 HA LEU 22 HA LEU 22 18.002 3.984 5.873 164 1HB LEU 22 HB2 LEU 22 17.800 5.939 8.111 165 2HB LEU 22 HB1 LEU 22 17.746 6.563 6.473 166 HG LEU 22 HG LEU 22 15.889 4.754 6.130 167 1HD1 LEU 22 2HD1 LEU 22 15.869 5.123 9.121 168 2HD1 LEU 22 1HD1 LEU 22 14.562 4.403 8.182 169 3HD1 LEU 22 3HD1 LEU 22 16.141 3.619 8.242 170 1HD2 LEU 22 2HD2 LEU 22 15.547 7.167 5.978 171 2HD2 LEU 22 1HD2 LEU 22 14.199 6.383 6.802 172 3HD2 LEU 22 3HD2 LEU 22 15.409 7.263 7.734 173 H SER 23 HN SER 23 20.515 5.524 7.855 174 HA SER 23 HA SER 23 21.725 7.043 5.841 175 1HB SER 23 HB2 SER 23 23.126 5.759 8.197 176 2HB SER 23 HB1 SER 23 23.659 7.177 7.296 177 HG SER 23 HG SER 23 21.753 6.951 9.274 178 H SER 24 HN SER 24 22.610 3.808 7.045 179 HA SER 24 HA SER 24 24.631 3.337 5.132 180 1HB SER 24 HB2 SER 24 24.442 0.966 5.814 181 2HB SER 24 HB1 SER 24 24.504 2.048 7.205 182 HG SER 24 HG SER 24 22.384 0.515 6.227 183 H TYR 25 HN TYR 25 21.206 3.289 4.876 184 HA TYR 25 HA TYR 25 21.072 1.448 2.666 185 1HB TYR 25 HB2 TYR 25 19.101 1.534 3.962 186 2HB TYR 25 HB1 TYR 25 19.088 3.293 3.983 187 HD1 TYR 25 HD1 TYR 25 18.478 0.322 1.867 188 HD2 TYR 25 HD2 TYR 25 17.999 4.531 2.268 189 HE1 TYR 25 HE1 TYR 25 16.937 0.323 -0.049 190 HE2 TYR 25 HE2 TYR 25 16.456 4.543 0.355 191 HH TYR 25 HH TYR 25 14.852 2.234 -0.734 192 H TRP 26 HN TRP 26 20.938 4.972 3.085 193 HA TRP 26 HA TRP 26 20.514 5.623 0.378 194 1HB TRP 26 HB2 TRP 26 21.632 7.154 2.716 195 2HB TRP 26 HB1 TRP 26 21.549 7.871 1.108 196 HD1 TRP 26 HD1 TRP 26 19.613 7.713 4.168 197 HE1 TRP 26 HE1 TRP 26 17.141 8.300 3.759 198 HE3 TRP 26 HE3 TRP 26 19.514 7.315 -0.929 199 HZ2 TRP 26 HZ2 TRP 26 15.380 8.559 1.566 200 HZ3 TRP 26 HZ3 TRP 26 17.397 7.748 -2.105 201 HH2 TRP 26 HH2 TRP 26 15.374 8.357 -0.882 202 H GLU 27 HN GLU 27 23.431 5.012 2.228 203 HA GLU 27 HA GLU 27 25.473 5.979 0.739 204 1HB GLU 27 HB2 GLU 27 25.111 3.642 2.469 205 2HB GLU 27 HB1 GLU 27 26.388 3.431 1.279 206 1HG GLU 27 HG2 GLU 27 27.767 4.739 2.413 207 2HG GLU 27 HG1 GLU 27 26.565 6.024 2.521 208 H SER 28 HN SER 28 24.023 2.771 0.185 209 HA SER 28 HA SER 28 25.161 2.722 -2.506 210 1HB SER 28 HB2 SER 28 23.813 0.586 -0.841 211 2HB SER 28 HB1 SER 28 24.356 0.339 -2.501 212 HG SER 28 HG SER 28 25.850 0.678 -0.162 213 H ALA 29 HN ALA 29 22.324 3.773 -1.086 214 HA ALA 29 HA ALA 29 20.320 2.756 -2.773 215 1HB ALA 29 HB3 ALA 29 19.768 3.943 -0.737 216 2HB ALA 29 HB1 ALA 29 19.003 4.728 -2.118 217 3HB ALA 29 HB2 ALA 29 20.447 5.433 -1.392 218 H LYS 30 HN LYS 30 22.542 5.477 -3.189 219 HA LYS 30 HA LYS 30 21.380 6.735 -5.362 220 1HB LYS 30 HB2 LYS 30 23.523 7.329 -4.002 221 2HB LYS 30 HB1 LYS 30 24.356 6.385 -5.229 222 1HG LYS 30 HG2 LYS 30 23.675 7.863 -6.954 223 2HG LYS 30 HG1 LYS 30 22.547 8.695 -5.882 224 1HD LYS 30 HD2 LYS 30 24.370 9.579 -4.573 225 2HD LYS 30 HD1 LYS 30 25.540 8.642 -5.505 226 1HE LYS 30 HE2 LYS 30 25.080 9.918 -7.481 227 2HE LYS 30 HE1 LYS 30 23.737 10.743 -6.694 228 1HZ LYS 30 HZ2 LYS 30 26.589 10.971 -5.894 229 2HZ LYS 30 HZ1 LYS 30 25.731 12.121 -6.788 230 3HZ LYS 30 HZ3 LYS 30 25.290 11.794 -5.188 231 H THR 31 HN THR 31 23.729 4.060 -5.441 232 HA THR 31 HA THR 31 23.987 3.708 -8.160 233 HB THR 31 HB THR 31 23.703 1.388 -6.246 234 HG1 THR 31 HG1 THR 31 25.242 2.299 -5.157 235 1HG2 THR 31 3HG2 THR 31 25.459 1.804 -8.652 236 2HG2 THR 31 2HG2 THR 31 25.509 0.408 -7.577 237 3HG2 THR 31 1HG2 THR 31 24.065 0.729 -8.539 238 H ALA 32 HN ALA 32 21.415 2.666 -5.996 239 HA ALA 32 HA ALA 32 19.942 1.128 -7.851 240 1HB ALA 32 HB1 ALA 32 18.531 2.657 -5.716 241 2HB ALA 32 HB3 ALA 32 18.310 0.990 -6.244 242 3HB ALA 32 HB2 ALA 32 19.697 1.421 -5.244 243 H ALA 33 HN ALA 33 19.756 4.565 -6.917 244 HA ALA 33 HA ALA 33 17.578 5.370 -8.401 245 1HB ALA 33 HB1 ALA 33 19.008 6.754 -6.811 246 2HB ALA 33 HB3 ALA 33 20.058 7.052 -8.197 247 3HB ALA 33 HB2 ALA 33 18.375 7.578 -8.236 248 H GLN 34 HN GLN 34 20.956 5.267 -9.505 249 HA GLN 34 HA GLN 34 20.380 6.029 -12.167 250 1HB GLN 34 HB2 GLN 34 22.707 4.540 -10.945 251 2HB GLN 34 HB1 GLN 34 22.639 4.952 -12.652 252 1HG GLN 34 HG2 GLN 34 23.843 6.712 -11.862 253 2HG GLN 34 HG1 GLN 34 22.214 7.370 -11.723 254 1HE2 GLN 34 1HE2 GLN 34 24.645 5.565 -9.870 255 2HE2 GLN 34 2HE2 GLN 34 24.271 6.291 -8.348 256 H ASN 35 HN ASN 35 20.568 2.930 -10.507 257 HA ASN 35 HA ASN 35 20.357 1.264 -12.769 258 1HB ASN 35 HB2 ASN 35 20.941 0.622 -10.339 259 2HB ASN 35 HB1 ASN 35 19.201 0.546 -10.084 260 1HD2 ASN 35 1HD2 ASN 35 21.778 -0.691 -12.173 261 2HD2 ASN 35 2HD2 ASN 35 21.049 -2.232 -12.449 262 H LEU 36 HN LEU 36 18.010 3.111 -11.038 263 HA LEU 36 HA LEU 36 15.633 1.829 -11.755 264 1HB LEU 36 HB2 LEU 36 16.110 3.945 -10.238 265 2HB LEU 36 HB1 LEU 36 15.795 4.818 -11.725 266 HG LEU 36 HG LEU 36 13.588 3.461 -11.797 267 1HD1 LEU 36 1HD1 LEU 36 14.313 3.195 -8.882 268 2HD1 LEU 36 3HD1 LEU 36 12.737 2.839 -9.586 269 3HD1 LEU 36 2HD1 LEU 36 14.143 1.876 -10.040 270 1HD2 LEU 36 3HD2 LEU 36 13.739 5.877 -11.425 271 2HD2 LEU 36 2HD2 LEU 36 12.471 5.145 -10.441 272 3HD2 LEU 36 1HD2 LEU 36 14.010 5.593 -9.706 273 H TYR 37 HN TYR 37 17.561 4.311 -13.328 274 HA TYR 37 HA TYR 37 15.993 4.563 -15.679 275 1HB TYR 37 HB2 TYR 37 18.935 5.114 -15.208 276 2HB TYR 37 HB1 TYR 37 18.056 5.576 -16.661 277 HD1 TYR 37 HD1 TYR 37 16.098 7.188 -16.410 278 HD2 TYR 37 HD2 TYR 37 18.934 6.501 -13.315 279 HE1 TYR 37 HE1 TYR 37 15.431 9.298 -15.338 280 HE2 TYR 37 HE2 TYR 37 18.274 8.608 -12.233 281 HH TYR 37 HH TYR 37 16.932 10.988 -13.504 282 H GLU 38 HN GLU 38 18.665 2.512 -14.702 283 HA GLU 38 HA GLU 38 19.322 1.333 -17.139 284 1HB GLU 38 HB2 GLU 38 19.737 0.664 -14.297 285 2HB GLU 38 HB1 GLU 38 19.832 -0.693 -15.407 286 1HG GLU 38 HG2 GLU 38 22.022 0.054 -15.239 287 2HG GLU 38 HG1 GLU 38 21.451 0.753 -16.753 288 H LYS 39 HN LYS 39 17.090 0.162 -14.652 289 HA LYS 39 HA LYS 39 16.242 -2.169 -15.899 290 1HB LYS 39 HB2 LYS 39 15.230 -0.411 -13.764 291 2HB LYS 39 HB1 LYS 39 14.003 -1.390 -14.555 292 1HG LYS 39 HG2 LYS 39 16.501 -2.736 -13.689 293 2HG LYS 39 HG1 LYS 39 15.341 -2.251 -12.449 294 1HD LYS 39 HD2 LYS 39 13.601 -3.537 -13.493 295 2HD LYS 39 HD1 LYS 39 14.637 -3.898 -14.876 296 1HE LYS 39 HE2 LYS 39 16.039 -5.292 -13.583 297 2HE LYS 39 HE1 LYS 39 15.348 -4.709 -12.069 298 1HZ LYS 39 HZ3 LYS 39 13.695 -6.138 -14.060 299 2HZ LYS 39 HZ2 LYS 39 14.612 -6.979 -12.913 300 3HZ LYS 39 HZ1 LYS 39 13.402 -5.912 -12.408 301 H THR 40 HN THR 40 15.597 1.085 -16.803 302 HA THR 40 HA THR 40 13.086 0.582 -18.102 303 HB THR 40 HB THR 40 14.960 2.855 -18.740 304 HG1 THR 40 HG1 THR 40 13.200 2.612 -16.529 305 1HG2 THR 40 1HG2 THR 40 11.955 2.698 -18.682 306 2HG2 THR 40 3HG2 THR 40 12.912 4.135 -19.047 307 3HG2 THR 40 2HG2 THR 40 12.970 2.739 -20.123 308 H TYR 41 HN TYR 41 16.438 0.878 -19.142 309 HA TYR 41 HA TYR 41 15.971 0.521 -21.908 310 1HB TYR 41 HB2 TYR 41 18.550 -0.295 -20.603 311 2HB TYR 41 HB1 TYR 41 18.291 0.447 -22.177 312 HD1 TYR 41 HD1 TYR 41 16.801 2.830 -21.705 313 HD2 TYR 41 HD2 TYR 41 19.814 1.081 -19.260 314 HE1 TYR 41 HE1 TYR 41 17.290 5.036 -20.737 315 HE2 TYR 41 HE2 TYR 41 20.310 3.283 -18.287 316 HH TYR 41 HH TYR 41 19.821 5.941 -19.398 317 H LEU 42 HN LEU 42 17.204 -1.806 -19.477 318 HA LEU 42 HA LEU 42 16.938 -4.000 -21.341 319 1HB LEU 42 HB2 LEU 42 17.762 -3.916 -18.443 320 2HB LEU 42 HB1 LEU 42 17.750 -5.372 -19.419 321 HG LEU 42 HG LEU 42 19.269 -3.277 -20.717 322 1HD1 LEU 42 3HD1 LEU 42 19.637 -2.511 -18.415 323 2HD1 LEU 42 2HD1 LEU 42 20.212 -4.121 -17.980 324 3HD1 LEU 42 1HD1 LEU 42 21.111 -3.148 -19.145 325 1HD2 LEU 42 2HD2 LEU 42 19.347 -5.700 -21.214 326 2HD2 LEU 42 1HD2 LEU 42 20.933 -5.014 -20.865 327 3HD2 LEU 42 3HD2 LEU 42 20.097 -5.970 -19.641 328 HA PRO 43 HA PRO 43 12.960 -5.339 -19.851 329 1HB PRO 43 HB2 PRO 43 12.709 -7.537 -21.322 330 2HB PRO 43 HB1 PRO 43 12.831 -5.951 -22.095 331 1HG PRO 43 HG2 PRO 43 14.886 -8.091 -21.829 332 2HG PRO 43 HG1 PRO 43 14.605 -6.963 -23.164 333 1HD PRO 43 HD2 PRO 43 16.522 -6.704 -21.102 334 2HD PRO 43 HD1 PRO 43 16.063 -5.465 -22.286 335 H ALA 44 HN ALA 44 14.908 -5.870 -17.907 336 HA ALA 44 HA ALA 44 15.206 -8.599 -17.239 337 1HB ALA 44 HB1 ALA 44 15.445 -6.082 -15.617 338 2HB ALA 44 HB3 ALA 44 15.757 -7.684 -14.948 339 3HB ALA 44 HB2 ALA 44 16.734 -7.081 -16.286 340 H VAL 45 HN VAL 45 12.503 -6.537 -16.976 341 HA VAL 45 HA VAL 45 11.133 -7.089 -14.745 342 HB VAL 45 HB VAL 45 9.943 -7.148 -17.522 343 1HG1 VAL 45 2HG1 VAL 45 8.686 -6.892 -14.802 344 2HG1 VAL 45 1HG1 VAL 45 7.886 -6.329 -16.270 345 3HG1 VAL 45 3HG1 VAL 45 8.298 -8.034 -16.088 346 1HG2 VAL 45 3HG2 VAL 45 10.606 -4.929 -15.614 347 2HG2 VAL 45 2HG2 VAL 45 11.012 -5.081 -17.323 348 3HG2 VAL 45 1HG2 VAL 45 9.350 -4.742 -16.839 349 H ASP 46 HN ASP 46 10.899 -9.217 -17.615 350 HA ASP 46 HA ASP 46 9.459 -11.225 -16.199 351 1HB ASP 46 HB2 ASP 46 10.748 -11.079 -18.904 352 2HB ASP 46 HB1 ASP 46 10.125 -12.611 -18.297 353 H GLU 47 HN GLU 47 12.870 -10.648 -16.785 354 HA GLU 47 HA GLU 47 13.774 -13.280 -16.195 355 1HB GLU 47 HB2 GLU 47 15.101 -10.584 -16.239 356 2HB GLU 47 HB1 GLU 47 15.972 -12.001 -15.669 357 1HG GLU 47 HG2 GLU 47 16.592 -12.027 -17.850 358 2HG GLU 47 HG1 GLU 47 15.134 -13.013 -17.952 359 H LYS 48 HN LYS 48 13.718 -10.324 -14.186 360 HA LYS 48 HA LYS 48 14.595 -11.551 -11.814 361 1HB LYS 48 HB2 LYS 48 13.856 -9.561 -10.676 362 2HB LYS 48 HB1 LYS 48 14.564 -9.097 -12.217 363 1HG LYS 48 HG2 LYS 48 12.720 -7.993 -12.731 364 2HG LYS 48 HG1 LYS 48 11.789 -9.485 -12.632 365 1HD LYS 48 HD2 LYS 48 12.433 -8.370 -10.017 366 2HD LYS 48 HD1 LYS 48 11.483 -7.271 -11.018 367 1HE LYS 48 HE2 LYS 48 9.674 -8.421 -10.423 368 2HE LYS 48 HE1 LYS 48 10.299 -9.773 -11.365 369 1HZ LYS 48 HZ2 LYS 48 10.869 -9.281 -8.490 370 2HZ LYS 48 HZ1 LYS 48 9.763 -10.413 -9.088 371 3HZ LYS 48 HZ3 LYS 48 11.416 -10.599 -9.400 372 H LEU 49 HN LEU 49 11.509 -11.562 -13.380 373 HA LEU 49 HA LEU 49 9.846 -12.095 -11.167 374 1HB LEU 49 HB2 LEU 49 9.331 -11.568 -13.723 375 2HB LEU 49 HB1 LEU 49 9.257 -13.316 -13.825 376 HG LEU 49 HG LEU 49 7.675 -12.025 -11.667 377 1HD1 LEU 49 3HD1 LEU 49 6.983 -11.847 -14.592 378 2HD1 LEU 49 2HD1 LEU 49 5.805 -11.666 -13.291 379 3HD1 LEU 49 1HD1 LEU 49 7.141 -10.525 -13.434 380 1HD2 LEU 49 3HD2 LEU 49 7.803 -14.490 -12.056 381 2HD2 LEU 49 2HD2 LEU 49 6.169 -13.828 -12.099 382 3HD2 LEU 49 1HD2 LEU 49 6.996 -14.232 -13.603 383 H ARG 50 HN ARG 50 11.033 -14.366 -13.656 384 HA ARG 50 HA ARG 50 10.442 -16.692 -12.165 385 1HB ARG 50 HB2 ARG 50 12.092 -16.083 -14.582 386 2HB ARG 50 HB1 ARG 50 12.310 -17.638 -13.791 387 1HG ARG 50 HG2 ARG 50 10.492 -18.441 -14.761 388 2HG ARG 50 HG1 ARG 50 9.515 -17.120 -14.118 389 1HD ARG 50 HD2 ARG 50 11.262 -16.733 -16.526 390 2HD ARG 50 HD1 ARG 50 9.649 -17.427 -16.674 391 HE ARG 50 HE ARG 50 10.323 -14.680 -16.119 392 1HH1 ARG 50 1HH1 ARG 50 7.821 -17.124 -15.913 393 2HH1 ARG 50 2HH1 ARG 50 6.532 -15.972 -15.847 394 1HH2 ARG 50 1HH2 ARG 50 8.619 -13.170 -16.028 395 2HH2 ARG 50 2HH2 ARG 50 6.984 -13.728 -15.911 396 H ASP 51 HN ASP 51 13.248 -14.584 -12.350 397 HA ASP 51 HA ASP 51 15.169 -16.175 -11.108 398 1HB ASP 51 HB2 ASP 51 15.740 -14.056 -12.163 399 2HB ASP 51 HB1 ASP 51 14.801 -13.176 -10.962 400 H LEU 52 HN LEU 52 13.196 -13.650 -9.534 401 HA LEU 52 HA LEU 52 13.905 -14.350 -6.905 402 1HB LEU 52 HB2 LEU 52 11.828 -12.658 -8.175 403 2HB LEU 52 HB1 LEU 52 11.523 -13.164 -6.525 404 HG LEU 52 HG LEU 52 13.876 -12.242 -6.014 405 1HD1 LEU 52 2HD1 LEU 52 14.399 -12.027 -8.495 406 2HD1 LEU 52 1HD1 LEU 52 13.357 -10.605 -8.476 407 3HD1 LEU 52 3HD1 LEU 52 14.804 -10.651 -7.469 408 1HD2 LEU 52 3HD2 LEU 52 11.591 -10.417 -6.745 409 2HD2 LEU 52 2HD2 LEU 52 11.856 -11.206 -5.191 410 3HD2 LEU 52 1HD2 LEU 52 12.974 -9.961 -5.750 411 H TYR 53 HN TYR 53 11.561 -15.712 -9.088 412 HA TYR 53 HA TYR 53 9.869 -16.923 -7.162 413 1HB TYR 53 HB2 TYR 53 9.330 -16.575 -9.608 414 2HB TYR 53 HB1 TYR 53 10.402 -17.926 -9.965 415 HD1 TYR 53 HD1 TYR 53 9.762 -20.204 -9.414 416 HD2 TYR 53 HD2 TYR 53 7.180 -16.940 -8.529 417 HE1 TYR 53 HE1 TYR 53 7.910 -21.777 -9.042 418 HE2 TYR 53 HE2 TYR 53 5.321 -18.503 -8.154 419 HH TYR 53 HH TYR 53 5.443 -21.371 -7.441 420 H SER 54 HN SER 54 12.657 -18.138 -9.019 421 HA SER 54 HA SER 54 12.665 -20.744 -7.969 422 1HB SER 54 HB2 SER 54 13.951 -20.036 -9.979 423 2HB SER 54 HB1 SER 54 15.049 -19.140 -8.930 424 HG SER 54 HG SER 54 15.973 -20.952 -8.346 425 H LYS 55 HN LYS 55 14.339 -17.791 -6.912 426 HA LYS 55 HA LYS 55 15.775 -18.932 -4.775 427 1HB LYS 55 HB2 LYS 55 14.732 -16.100 -5.017 428 2HB LYS 55 HB1 LYS 55 16.002 -16.640 -3.929 429 1HG LYS 55 HG2 LYS 55 16.160 -16.752 -6.935 430 2HG LYS 55 HG1 LYS 55 16.843 -15.470 -5.934 431 1HD LYS 55 HD2 LYS 55 18.600 -16.727 -5.308 432 2HD LYS 55 HD1 LYS 55 17.616 -18.180 -5.120 433 1HE LYS 55 HE2 LYS 55 18.451 -17.061 -7.790 434 2HE LYS 55 HE1 LYS 55 19.363 -18.295 -6.921 435 1HZ LYS 55 HZ3 LYS 55 17.372 -19.707 -6.981 436 2HZ LYS 55 HZ2 LYS 55 16.567 -18.534 -7.894 437 3HZ LYS 55 HZ1 LYS 55 17.922 -19.317 -8.533 438 H SER 56 HN SER 56 12.580 -17.393 -4.916 439 HA SER 56 HA SER 56 11.986 -17.515 -2.173 440 1HB SER 56 HB2 SER 56 10.781 -16.177 -3.962 441 2HB SER 56 HB1 SER 56 9.945 -17.669 -4.393 442 HG SER 56 HG SER 56 9.759 -16.126 -2.055 443 H THR 57 HN THR 57 11.928 -20.049 -4.580 444 HA THR 57 HA THR 57 10.015 -21.756 -3.482 445 HB THR 57 HB THR 57 12.580 -22.649 -4.806 446 HG1 THR 57 HG1 THR 57 10.182 -21.694 -5.980 447 1HG2 THR 57 2HG2 THR 57 9.836 -23.869 -4.685 448 2HG2 THR 57 1HG2 THR 57 11.123 -24.414 -5.761 449 3HG2 THR 57 3HG2 THR 57 11.332 -24.519 -4.012 450 H ALA 58 HN ALA 58 13.480 -21.441 -2.752 451 HA ALA 58 HA ALA 58 13.310 -23.455 -0.664 452 1HB ALA 58 HB1 ALA 58 15.712 -23.098 -0.404 453 2HB ALA 58 HB3 ALA 58 15.287 -23.391 -2.091 454 3HB ALA 58 HB2 ALA 58 15.639 -21.752 -1.541 455 H ALA 59 HN ALA 59 13.919 -19.955 -0.915 456 HA ALA 59 HA ALA 59 14.345 -19.472 1.820 457 1HB ALA 59 HB3 ALA 59 13.842 -17.110 1.272 458 2HB ALA 59 HB1 ALA 59 13.325 -17.625 -0.333 459 3HB ALA 59 HB2 ALA 59 15.001 -17.852 0.168 460 H MET 60 HN MET 60 11.384 -18.861 -0.099 461 HA MET 60 HA MET 60 9.764 -18.185 2.092 462 1HB MET 60 HB2 MET 60 9.423 -18.014 -0.549 463 2HB MET 60 HB1 MET 60 8.496 -19.480 -0.263 464 1HG MET 60 HG2 MET 60 6.889 -17.851 -0.086 465 2HG MET 60 HG1 MET 60 7.348 -18.092 1.598 466 1HE MET 60 HE1 MET 60 7.294 -16.005 -1.469 467 2HE MET 60 HE3 MET 60 6.170 -15.181 -0.387 468 3HE MET 60 HE2 MET 60 7.643 -14.368 -0.915 469 H SER 61 HN SER 61 10.813 -21.301 0.979 470 HA SER 61 HA SER 61 8.665 -22.850 1.985 471 1HB SER 61 HB2 SER 61 11.336 -23.354 0.897 472 2HB SER 61 HB1 SER 61 10.861 -24.516 2.135 473 HG SER 61 HG SER 61 9.822 -24.088 -0.397 474 H THR 62 HN THR 62 11.361 -21.322 3.530 475 HA THR 62 HA THR 62 10.825 -22.789 6.018 476 HB THR 62 HB THR 62 13.156 -22.889 5.359 477 HG1 THR 62 HG1 THR 62 13.148 -22.793 7.491 478 1HG2 THR 62 1HG2 THR 62 13.140 -19.881 5.404 479 2HG2 THR 62 3HG2 THR 62 14.579 -20.895 5.310 480 3HG2 THR 62 2HG2 THR 62 13.400 -20.915 3.999 481 H TYR 63 HN TYR 63 11.222 -19.500 4.719 482 HA TYR 63 HA TYR 63 10.643 -18.134 7.097 483 1HB TYR 63 HB2 TYR 63 10.428 -17.292 4.204 484 2HB TYR 63 HB1 TYR 63 10.170 -16.198 5.557 485 HD1 TYR 63 HD1 TYR 63 12.259 -16.726 7.420 486 HD2 TYR 63 HD2 TYR 63 12.434 -16.828 3.169 487 HE1 TYR 63 HE1 TYR 63 14.673 -16.275 7.515 488 HE2 TYR 63 HE2 TYR 63 14.850 -16.379 3.253 489 HH TYR 63 HH TYR 63 16.741 -16.878 5.479 490 H THR 64 HN THR 64 8.608 -19.850 4.892 491 HA THR 64 HA THR 64 6.240 -18.345 5.387 492 HB THR 64 HB THR 64 6.805 -21.030 4.196 493 HG1 THR 64 HG1 THR 64 6.499 -19.891 2.482 494 1HG2 THR 64 2HG2 THR 64 4.093 -20.110 5.084 495 2HG2 THR 64 1HG2 THR 64 4.326 -21.240 3.749 496 3HG2 THR 64 3HG2 THR 64 4.877 -21.664 5.370 497 H GLY 65 HN GLY 65 7.296 -21.515 6.613 498 1HA GLY 65 HA1 GLY 65 6.788 -22.596 8.580 499 2HA GLY 65 HA2 GLY 65 5.292 -21.666 8.613 500 H ILE 66 HN ILE 66 8.571 -20.383 8.539 501 HA ILE 66 HA ILE 66 8.860 -19.879 11.304 502 HB ILE 66 HB ILE 66 10.197 -18.680 8.883 503 1HG1 ILE 66 2HG1 ILE 66 10.709 -21.037 9.512 504 2HG1 ILE 66 1HG1 ILE 66 12.110 -19.977 9.600 505 1HG2 ILE 66 1HG2 ILE 66 10.531 -17.946 11.769 506 2HG2 ILE 66 3HG2 ILE 66 11.863 -17.783 10.624 507 3HG2 ILE 66 2HG2 ILE 66 10.363 -16.892 10.364 508 1HD1 ILE 66 1HD1 ILE 66 10.450 -20.895 11.936 509 2HD1 ILE 66 3HD1 ILE 66 12.031 -21.524 11.474 510 3HD1 ILE 66 2HD1 ILE 66 11.870 -19.855 12.020 511 H PHE 67 HN PHE 67 8.174 -17.573 8.655 512 HA PHE 67 HA PHE 67 7.629 -15.335 10.190 513 1HB PHE 67 HB2 PHE 67 6.498 -16.194 7.529 514 2HB PHE 67 HB1 PHE 67 6.080 -14.653 8.265 515 HD1 PHE 67 HD1 PHE 67 7.082 -14.180 5.814 516 HD2 PHE 67 HD2 PHE 67 9.349 -15.277 9.248 517 HE1 PHE 67 HE1 PHE 67 9.086 -13.167 4.812 518 HE2 PHE 67 HE2 PHE 67 11.354 -14.263 8.251 519 HZ PHE 67 HZ PHE 67 11.225 -13.207 6.031 520 H THR 68 HN THR 68 5.259 -17.708 8.994 521 HA THR 68 HA THR 68 3.048 -16.599 10.337 522 HB THR 68 HB THR 68 3.402 -19.469 9.464 523 HG1 THR 68 HG1 THR 68 3.549 -18.579 7.569 524 1HG2 THR 68 3HG2 THR 68 1.000 -17.818 10.117 525 2HG2 THR 68 2HG2 THR 68 0.899 -19.152 8.967 526 3HG2 THR 68 1HG2 THR 68 1.406 -19.456 10.629 527 H ASP 69 HN ASP 69 5.631 -18.561 11.461 528 HA ASP 69 HA ASP 69 4.429 -19.931 13.584 529 1HB ASP 69 HB2 ASP 69 6.883 -20.025 12.684 530 2HB ASP 69 HB1 ASP 69 7.182 -18.767 13.877 531 H GLN 70 HN GLN 70 6.146 -16.799 13.706 532 HA GLN 70 HA GLN 70 5.327 -16.224 16.368 533 1HB GLN 70 HB2 GLN 70 6.354 -14.320 14.256 534 2HB GLN 70 HB1 GLN 70 6.273 -14.003 15.983 535 1HG GLN 70 HG2 GLN 70 8.051 -15.943 14.538 536 2HG GLN 70 HG1 GLN 70 8.518 -14.533 15.485 537 1HE2 GLN 70 1HE2 GLN 70 8.153 -14.614 17.798 538 2HE2 GLN 70 2HE2 GLN 70 8.203 -16.137 18.613 539 H VAL 71 HN VAL 71 3.830 -15.763 13.286 540 HA VAL 71 HA VAL 71 2.076 -13.636 13.981 541 HB VAL 71 HB VAL 71 1.802 -15.775 11.852 542 1HG1 VAL 71 2HG1 VAL 71 0.141 -13.333 12.424 543 2HG1 VAL 71 1HG1 VAL 71 0.175 -14.110 10.841 544 3HG1 VAL 71 3HG1 VAL 71 -0.391 -15.005 12.250 545 1HG2 VAL 71 1HG2 VAL 71 3.684 -13.915 11.874 546 2HG2 VAL 71 3HG2 VAL 71 2.860 -14.378 10.386 547 3HG2 VAL 71 2HG2 VAL 71 2.369 -12.919 11.247 548 H LEU 72 HN LEU 72 1.618 -17.144 13.691 549 HA LEU 72 HA LEU 72 -0.963 -17.293 14.767 550 1HB LEU 72 HB2 LEU 72 1.224 -19.157 14.188 551 2HB LEU 72 HB1 LEU 72 0.247 -19.646 15.559 552 HG LEU 72 HG LEU 72 -1.773 -19.541 14.145 553 1HD1 LEU 72 3HD1 LEU 72 0.211 -18.606 12.121 554 2HD1 LEU 72 2HD1 LEU 72 -1.204 -19.522 11.602 555 3HD1 LEU 72 1HD1 LEU 72 -1.408 -18.002 12.473 556 1HD2 LEU 72 1HD2 LEU 72 -0.546 -21.645 14.417 557 2HD2 LEU 72 3HD2 LEU 72 -1.302 -21.532 12.828 558 3HD2 LEU 72 2HD2 LEU 72 0.431 -21.254 13.002 559 H SER 73 HN SER 73 2.235 -17.198 16.233 560 HA SER 73 HA SER 73 1.528 -17.836 18.867 561 1HB SER 73 HB2 SER 73 3.883 -17.528 17.849 562 2HB SER 73 HB1 SER 73 3.663 -15.815 18.208 563 HG SER 73 HG SER 73 4.377 -16.368 20.108 564 H VAL 74 HN VAL 74 1.401 -14.785 17.128 565 HA VAL 74 HA VAL 74 0.690 -13.209 19.405 566 HB VAL 74 HB VAL 74 0.244 -12.622 16.467 567 1HG1 VAL 74 1HG1 VAL 74 -0.053 -10.968 18.944 568 2HG1 VAL 74 3HG1 VAL 74 0.363 -10.213 17.406 569 3HG1 VAL 74 2HG1 VAL 74 -1.141 -11.120 17.563 570 1HG2 VAL 74 1HG2 VAL 74 2.650 -12.818 17.915 571 2HG2 VAL 74 3HG2 VAL 74 2.413 -12.176 16.290 572 3HG2 VAL 74 2HG2 VAL 74 2.344 -11.096 17.682 573 H LEU 75 HN LEU 75 -1.029 -15.390 17.379 574 HA LEU 75 HA LEU 75 -3.627 -14.283 17.555 575 1HB LEU 75 HB2 LEU 75 -2.600 -16.310 16.148 576 2HB LEU 75 HB1 LEU 75 -3.290 -17.235 17.466 577 HG LEU 75 HG LEU 75 -4.736 -16.994 15.415 578 1HD1 LEU 75 1HD1 LEU 75 -5.501 -17.474 17.817 579 2HD1 LEU 75 3HD1 LEU 75 -6.083 -15.809 17.814 580 3HD1 LEU 75 2HD1 LEU 75 -6.712 -16.965 16.640 581 1HD2 LEU 75 3HD2 LEU 75 -4.106 -14.540 15.130 582 2HD2 LEU 75 2HD2 LEU 75 -5.802 -14.970 14.905 583 3HD2 LEU 75 1HD2 LEU 75 -5.276 -14.212 16.409 584 H LYS 76 HN LYS 76 -1.735 -16.332 19.635 585 HA LYS 76 HA LYS 76 -3.840 -17.047 21.420 586 1HB LYS 76 HB2 LYS 76 -0.840 -17.056 21.793 587 2HB LYS 76 HB1 LYS 76 -1.983 -17.743 22.938 588 1HG LYS 76 HG2 LYS 76 -1.760 -18.631 20.072 589 2HG LYS 76 HG1 LYS 76 -0.887 -19.385 21.407 590 1HD LYS 76 HD2 LYS 76 -2.693 -20.521 22.074 591 2HD LYS 76 HD1 LYS 76 -3.726 -19.094 21.968 592 1HE LYS 76 HE2 LYS 76 -2.862 -20.707 19.574 593 2HE LYS 76 HE1 LYS 76 -4.356 -21.008 20.458 594 1HZ LYS 76 HZ2 LYS 76 -4.942 -18.635 19.995 595 2HZ LYS 76 HZ1 LYS 76 -3.614 -18.566 18.950 596 3HZ LYS 76 HZ3 LYS 76 -4.887 -19.632 18.629 597 H GLY 77 HN GLY 77 -1.217 -14.632 21.598 598 1HA GLY 77 HA1 GLY 77 -0.886 -12.894 23.086 599 2HA GLY 77 HA2 GLY 77 -2.169 -13.553 24.088 600 H GLU 78 HN GLU 78 -1.591 -11.730 21.098 601 HA GLU 78 HA GLU 78 -3.456 -9.713 21.750 602 1HB GLU 78 HB2 GLU 78 -1.484 -9.465 20.214 603 2HB GLU 78 HB1 GLU 78 -2.382 -10.367 19.002 604 1HG GLU 78 HG2 GLU 78 -3.505 -7.878 20.231 605 2HG GLU 78 HG1 GLU 78 -2.376 -7.806 18.879 606 H GLU 79 HN GLU 79 -3.618 -12.242 19.227 607 HA GLU 79 HA GLU 79 -5.365 -13.383 18.334 608 1HB GLU 79 HB2 GLU 79 -6.162 -13.275 20.827 609 2HB GLU 79 HB1 GLU 79 -7.317 -12.100 20.217 610 1HG GLU 79 HG2 GLU 79 -7.013 -14.946 19.284 611 2HG GLU 79 HG1 GLU 79 -8.298 -14.311 20.309 No H/Q in entry = 611 Start of MODEL 13 1 H1 THR 1 HT1 THR 1 29.496 -4.524 37.761 2 H2 THR 1 HT3 THR 1 30.547 -4.768 39.093 3 H3 THR 1 HT2 THR 1 29.299 -3.593 39.189 4 HA THR 1 HA THR 1 31.286 -2.461 38.852 5 HB THR 1 HB THR 1 32.607 -4.343 38.047 6 HG1 THR 1 HG1 THR 1 33.548 -2.456 37.492 7 1HG2 THR 1 3HG2 THR 1 31.113 -4.080 35.448 8 2HG2 THR 1 2HG2 THR 1 32.529 -5.091 35.731 9 3HG2 THR 1 1HG2 THR 1 31.019 -5.436 36.572 10 H GLN 2 HN GLN 2 31.221 -0.539 37.761 11 HA GLN 2 HA GLN 2 29.089 -0.265 35.748 12 1HB GLN 2 HB2 GLN 2 29.058 1.013 38.013 13 2HB GLN 2 HB1 GLN 2 30.282 2.035 37.272 14 1HG GLN 2 HG2 GLN 2 28.244 1.848 35.377 15 2HG GLN 2 HG1 GLN 2 27.426 2.042 36.927 16 1HE2 GLN 2 1HE2 GLN 2 27.721 3.936 38.106 17 2HE2 GLN 2 2HE2 GLN 2 28.403 5.359 37.403 18 H GLN 3 HN GLN 3 31.393 -1.244 34.733 19 HA GLN 3 HA GLN 3 32.449 1.047 33.232 20 1HB GLN 3 HB2 GLN 3 34.005 -1.157 34.551 21 2HB GLN 3 HB1 GLN 3 34.650 -0.323 33.144 22 1HG GLN 3 HG2 GLN 3 35.564 0.986 34.731 23 2HG GLN 3 HG1 GLN 3 34.003 1.799 34.625 24 1HE2 GLN 3 1HE2 GLN 3 32.986 2.126 36.477 25 2HE2 GLN 3 2HE2 GLN 3 33.234 1.243 37.941 26 HA PRO 4 HA PRO 4 32.861 -2.663 30.209 27 1HB PRO 4 HB2 PRO 4 32.165 -5.152 31.109 28 2HB PRO 4 HB1 PRO 4 33.816 -4.523 31.137 29 1HG PRO 4 HG2 PRO 4 31.806 -4.670 33.344 30 2HG PRO 4 HG1 PRO 4 33.549 -4.992 33.390 31 1HD PRO 4 HD2 PRO 4 32.480 -2.678 34.284 32 2HD PRO 4 HD1 PRO 4 34.085 -2.755 33.534 33 H GLN 5 HN GLN 5 30.319 -3.496 32.587 34 HA GLN 5 HA GLN 5 28.361 -4.028 30.576 35 1HB GLN 5 HB2 GLN 5 28.591 -4.502 33.320 36 2HB GLN 5 HB1 GLN 5 27.230 -3.400 33.172 37 1HG GLN 5 HG2 GLN 5 27.559 -6.086 31.861 38 2HG GLN 5 HG1 GLN 5 26.404 -5.635 33.114 39 1HE2 GLN 5 1HE2 GLN 5 27.082 -5.698 29.755 40 2HE2 GLN 5 2HE2 GLN 5 25.598 -4.999 29.213 41 H GLN 6 HN GLN 6 29.345 -1.198 32.367 42 HA GLN 6 HA GLN 6 27.018 0.364 31.943 43 1HB GLN 6 HB2 GLN 6 28.592 0.971 33.673 44 2HB GLN 6 HB1 GLN 6 29.884 1.151 32.496 45 1HG GLN 6 HG2 GLN 6 27.639 2.838 31.839 46 2HG GLN 6 HG1 GLN 6 28.208 3.137 33.481 47 1HE2 GLN 6 1HE2 GLN 6 28.817 3.558 30.145 48 2HE2 GLN 6 2HE2 GLN 6 30.321 4.392 30.291 49 H ASP 7 HN ASP 7 30.146 0.217 30.232 50 HA ASP 7 HA ASP 7 29.374 2.074 28.214 51 1HB ASP 7 HB2 ASP 7 31.750 1.525 28.900 52 2HB ASP 7 HB1 ASP 7 31.574 0.014 28.013 53 H GLU 8 HN GLU 8 29.865 -1.446 28.144 54 HA GLU 8 HA GLU 8 28.753 -1.773 25.543 55 1HB GLU 8 HB2 GLU 8 30.338 -3.395 26.360 56 2HB GLU 8 HB1 GLU 8 29.327 -3.753 27.752 57 1HG GLU 8 HG2 GLU 8 28.010 -4.169 25.171 58 2HG GLU 8 HG1 GLU 8 29.409 -5.203 25.455 59 H MET 9 HN MET 9 26.679 -1.432 25.087 60 HA MET 9 HA MET 9 24.610 -1.444 27.034 61 1HB MET 9 HB2 MET 9 24.898 -0.720 24.267 62 2HB MET 9 HB1 MET 9 23.446 -1.690 24.469 63 1HG MET 9 HG2 MET 9 22.708 0.487 24.755 64 2HG MET 9 HG1 MET 9 22.884 -0.116 26.402 65 1HE MET 9 HE2 MET 9 24.110 0.721 28.085 66 2HE MET 9 HE1 MET 9 25.783 0.460 27.593 67 3HE MET 9 HE3 MET 9 25.250 2.066 28.089 68 HA PRO 10 HA PRO 10 24.067 -5.908 27.085 69 1HB PRO 10 HB2 PRO 10 21.853 -5.855 28.716 70 2HB PRO 10 HB1 PRO 10 23.520 -5.800 29.297 71 1HG PRO 10 HG2 PRO 10 21.578 -3.564 28.891 72 2HG PRO 10 HG1 PRO 10 22.731 -3.823 30.213 73 1HD PRO 10 HD2 PRO 10 23.216 -2.076 28.226 74 2HD PRO 10 HD1 PRO 10 24.517 -3.021 28.981 75 H SER 11 HN SER 11 21.244 -3.735 26.771 76 HA SER 11 HA SER 11 19.667 -5.669 25.382 77 1HB SER 11 HB2 SER 11 19.347 -2.687 25.765 78 2HB SER 11 HB1 SER 11 18.166 -3.688 24.922 79 HG SER 11 HG SER 11 18.835 -3.617 27.638 80 HA PRO 12 HA PRO 12 21.403 -5.102 21.331 81 1HB PRO 12 HB2 PRO 12 19.408 -6.232 19.876 82 2HB PRO 12 HB1 PRO 12 20.560 -7.178 20.824 83 1HG PRO 12 HG2 PRO 12 17.764 -6.360 21.509 84 2HG PRO 12 HG1 PRO 12 18.563 -7.924 21.752 85 1HD PRO 12 HD2 PRO 12 18.251 -6.119 23.748 86 2HD PRO 12 HD1 PRO 12 19.644 -7.217 23.661 87 H THR 13 HN THR 13 21.428 -3.388 20.013 88 HA THR 13 HA THR 13 19.396 -1.390 20.149 89 HB THR 13 HB THR 13 20.776 -0.312 18.292 90 HG1 THR 13 HG1 THR 13 21.975 -1.771 17.337 91 1HG2 THR 13 1HG2 THR 13 21.142 0.264 20.639 92 2HG2 THR 13 3HG2 THR 13 22.279 -1.075 20.783 93 3HG2 THR 13 2HG2 THR 13 22.641 0.277 19.709 94 H PHE 14 HN PHE 14 17.471 -1.695 19.236 95 HA PHE 14 HA PHE 14 17.367 -2.878 16.539 96 1HB PHE 14 HB2 PHE 14 16.191 -4.185 18.288 97 2HB PHE 14 HB1 PHE 14 15.172 -2.789 18.625 98 HD1 PHE 14 HD1 PHE 14 13.288 -2.301 17.291 99 HD2 PHE 14 HD2 PHE 14 16.037 -5.313 16.072 100 HE1 PHE 14 HE1 PHE 14 11.706 -3.037 15.558 101 HE2 PHE 14 HE2 PHE 14 14.459 -6.055 14.336 102 HZ PHE 14 HZ PHE 14 12.291 -4.916 14.077 103 H LEU 15 HN LEU 15 15.238 -0.770 18.495 104 HA LEU 15 HA LEU 15 14.217 0.643 16.284 105 1HB LEU 15 HB2 LEU 15 14.340 1.385 19.207 106 2HB LEU 15 HB1 LEU 15 13.454 2.303 18.005 107 HG LEU 15 HG LEU 15 12.894 -0.607 18.554 108 1HD1 LEU 15 1HD1 LEU 15 12.571 0.642 20.621 109 2HD1 LEU 15 3HD1 LEU 15 11.557 1.807 19.769 110 3HD1 LEU 15 2HD1 LEU 15 11.025 0.135 19.940 111 1HD2 LEU 15 1HD2 LEU 15 11.350 1.588 17.177 112 2HD2 LEU 15 3HD2 LEU 15 12.072 0.164 16.428 113 3HD2 LEU 15 2HD2 LEU 15 10.711 -0.015 17.535 114 H THR 16 HN THR 16 16.701 1.557 18.673 115 HA THR 16 HA THR 16 17.343 4.064 17.622 116 HB THR 16 HB THR 16 19.580 3.698 18.753 117 HG1 THR 16 HG1 THR 16 19.994 1.616 18.849 118 1HG2 THR 16 3HG2 THR 16 17.683 4.652 19.986 119 2HG2 THR 16 2HG2 THR 16 17.195 3.023 20.458 120 3HG2 THR 16 1HG2 THR 16 18.740 3.677 21.007 121 H GLN 17 HN GLN 17 18.542 0.847 16.774 122 HA GLN 17 HA GLN 17 20.641 1.636 15.084 123 1HB GLN 17 HB2 GLN 17 19.948 -0.718 16.026 124 2HB GLN 17 HB1 GLN 17 19.060 -0.838 14.513 125 1HG GLN 17 HG2 GLN 17 21.980 -0.154 14.606 126 2HG GLN 17 HG1 GLN 17 21.397 -1.818 14.574 127 1HE2 GLN 17 1HE2 GLN 17 19.820 -2.289 12.769 128 2HE2 GLN 17 2HE2 GLN 17 20.181 -1.606 11.225 129 H VAL 18 HN VAL 18 17.245 0.874 14.358 130 HA VAL 18 HA VAL 18 16.927 0.838 11.745 131 HB VAL 18 HB VAL 18 15.358 2.691 13.541 132 1HG1 VAL 18 3HG1 VAL 18 14.848 1.734 10.738 133 2HG1 VAL 18 2HG1 VAL 18 13.543 2.263 11.799 134 3HG1 VAL 18 1HG1 VAL 18 14.832 3.384 11.359 135 1HG2 VAL 18 3HG2 VAL 18 15.288 -0.223 12.991 136 2HG2 VAL 18 2HG2 VAL 18 14.935 0.660 14.476 137 3HG2 VAL 18 1HG2 VAL 18 13.743 0.606 13.178 138 H LYS 19 HN LYS 19 17.349 3.990 13.386 139 HA LYS 19 HA LYS 19 17.312 5.634 11.173 140 1HB LYS 19 HB2 LYS 19 18.038 5.879 13.912 141 2HB LYS 19 HB1 LYS 19 19.310 6.626 12.956 142 1HG LYS 19 HG2 LYS 19 17.812 8.354 13.408 143 2HG LYS 19 HG1 LYS 19 17.449 7.875 11.750 144 1HD LYS 19 HD2 LYS 19 15.655 6.365 12.757 145 2HD LYS 19 HD1 LYS 19 15.902 7.263 14.255 146 1HE LYS 19 HE2 LYS 19 15.258 9.315 13.212 147 2HE LYS 19 HE1 LYS 19 15.239 8.560 11.618 148 1HZ LYS 19 HZ1 LYS 19 13.405 7.906 13.862 149 2HZ LYS 19 HZ3 LYS 19 13.008 8.826 12.499 150 3HZ LYS 19 HZ2 LYS 19 13.384 7.185 12.332 151 H GLU 20 HN GLU 20 20.217 4.207 12.668 152 HA GLU 20 HA GLU 20 22.019 5.136 10.706 153 1HB GLU 20 HB2 GLU 20 22.237 2.775 12.582 154 2HB GLU 20 HB1 GLU 20 23.566 3.411 11.621 155 1HG GLU 20 HG2 GLU 20 23.983 4.457 13.592 156 2HG GLU 20 HG1 GLU 20 22.929 5.654 12.846 157 H SER 21 HN SER 21 19.928 2.370 10.872 158 HA SER 21 HA SER 21 21.122 0.756 8.896 159 1HB SER 21 HB2 SER 21 19.041 0.407 10.593 160 2HB SER 21 HB1 SER 21 18.166 0.701 9.090 161 HG SER 21 HG SER 21 18.872 -1.139 8.302 162 H LEU 22 HN LEU 22 18.663 3.302 8.708 163 HA LEU 22 HA LEU 22 18.212 3.035 5.909 164 1HB LEU 22 HB2 LEU 22 16.672 4.097 7.640 165 2HB LEU 22 HB1 LEU 22 17.713 5.506 7.557 166 HG LEU 22 HG LEU 22 17.222 5.453 5.016 167 1HD1 LEU 22 1HD1 LEU 22 16.191 3.239 4.978 168 2HD1 LEU 22 3HD1 LEU 22 14.908 3.815 6.041 169 3HD1 LEU 22 2HD1 LEU 22 15.072 4.481 4.415 170 1HD2 LEU 22 1HD2 LEU 22 16.427 7.178 6.564 171 2HD2 LEU 22 3HD2 LEU 22 15.221 6.799 5.335 172 3HD2 LEU 22 2HD2 LEU 22 15.040 6.168 6.972 173 H SER 23 HN SER 23 20.379 5.003 7.882 174 HA SER 23 HA SER 23 21.243 6.797 5.917 175 1HB SER 23 HB2 SER 23 22.836 5.680 8.240 176 2HB SER 23 HB1 SER 23 23.226 7.141 7.331 177 HG SER 23 HG SER 23 21.330 6.728 9.293 178 H SER 24 HN SER 24 22.784 3.759 6.979 179 HA SER 24 HA SER 24 24.752 3.734 4.952 180 1HB SER 24 HB2 SER 24 23.614 1.574 6.724 181 2HB SER 24 HB1 SER 24 24.875 1.242 5.537 182 HG SER 24 HG SER 24 26.279 2.434 6.665 183 H TYR 25 HN TYR 25 21.395 3.045 4.862 184 HA TYR 25 HA TYR 25 21.461 1.212 2.653 185 1HB TYR 25 HB2 TYR 25 19.594 1.421 4.379 186 2HB TYR 25 HB1 TYR 25 19.100 2.880 3.530 187 HD1 TYR 25 HD1 TYR 25 19.226 -0.766 3.421 188 HD2 TYR 25 HD2 TYR 25 18.151 2.748 1.277 189 HE1 TYR 25 HE1 TYR 25 17.911 -2.131 1.855 190 HE2 TYR 25 HE2 TYR 25 16.832 1.393 -0.294 191 HH TYR 25 HH TYR 25 17.115 -1.500 -0.917 192 H TRP 26 HN TRP 26 20.844 4.686 3.061 193 HA TRP 26 HA TRP 26 20.216 5.242 0.371 194 1HB TRP 26 HB2 TRP 26 20.494 6.720 2.781 195 2HB TRP 26 HB1 TRP 26 21.494 7.507 1.564 196 HD1 TRP 26 HD1 TRP 26 18.078 7.535 2.821 197 HE1 TRP 26 HE1 TRP 26 16.469 8.641 1.145 198 HE3 TRP 26 HE3 TRP 26 21.087 7.543 -1.315 199 HZ2 TRP 26 HZ2 TRP 26 16.474 9.413 -1.571 200 HZ3 TRP 26 HZ3 TRP 26 20.208 8.482 -3.411 201 HH2 TRP 26 HH2 TRP 26 17.948 9.397 -3.535 202 H GLU 27 HN GLU 27 23.268 5.053 2.091 203 HA GLU 27 HA GLU 27 25.087 6.285 0.511 204 1HB GLU 27 HB2 GLU 27 25.133 3.930 2.252 205 2HB GLU 27 HB1 GLU 27 26.364 3.885 0.999 206 1HG GLU 27 HG2 GLU 27 27.622 5.306 2.127 207 2HG GLU 27 HG1 GLU 27 26.317 6.490 2.161 208 H SER 28 HN SER 28 24.053 2.912 0.020 209 HA SER 28 HA SER 28 25.107 2.956 -2.695 210 1HB SER 28 HB2 SER 28 25.338 1.003 -0.996 211 2HB SER 28 HB1 SER 28 23.680 0.618 -1.456 212 HG SER 28 HG SER 28 24.329 0.094 -3.439 213 H ALA 29 HN ALA 29 22.155 3.614 -1.142 214 HA ALA 29 HA ALA 29 20.279 2.559 -2.949 215 1HB ALA 29 HB3 ALA 29 19.707 3.511 -0.739 216 2HB ALA 29 HB2 ALA 29 20.018 5.121 -1.385 217 3HB ALA 29 HB1 ALA 29 18.708 4.144 -2.046 218 H LYS 30 HN LYS 30 22.132 5.577 -3.033 219 HA LYS 30 HA LYS 30 20.815 6.896 -5.079 220 1HB LYS 30 HB2 LYS 30 22.830 7.647 -3.633 221 2HB LYS 30 HB1 LYS 30 23.814 6.922 -4.897 222 1HG LYS 30 HG2 LYS 30 22.021 8.512 -6.281 223 2HG LYS 30 HG1 LYS 30 22.426 9.462 -4.851 224 1HD LYS 30 HD2 LYS 30 24.583 8.140 -6.453 225 2HD LYS 30 HD1 LYS 30 23.894 9.675 -6.982 226 1HE LYS 30 HE2 LYS 30 24.527 10.732 -4.918 227 2HE LYS 30 HE1 LYS 30 25.057 9.192 -4.243 228 1HZ LYS 30 HZ2 LYS 30 26.794 9.096 -5.922 229 2HZ LYS 30 HZ1 LYS 30 26.284 10.574 -6.568 230 3HZ LYS 30 HZ3 LYS 30 26.928 10.511 -5.005 231 H THR 31 HN THR 31 23.519 4.604 -5.412 232 HA THR 31 HA THR 31 23.819 4.581 -8.150 233 HB THR 31 HB THR 31 23.883 2.058 -6.493 234 HG1 THR 31 HG1 THR 31 25.274 3.060 -5.293 235 1HG2 THR 31 3HG2 THR 31 25.542 2.981 -8.825 236 2HG2 THR 31 2HG2 THR 31 25.823 1.511 -7.892 237 3HG2 THR 31 1HG2 THR 31 24.339 1.692 -8.828 238 H ALA 32 HN ALA 32 21.402 2.990 -6.154 239 HA ALA 32 HA ALA 32 20.198 1.418 -8.162 240 1HB ALA 32 HB3 ALA 32 18.555 2.553 -5.948 241 2HB ALA 32 HB2 ALA 32 18.569 0.924 -6.622 242 3HB ALA 32 HB1 ALA 32 19.873 1.448 -5.556 243 H ALA 33 HN ALA 33 19.589 4.745 -7.058 244 HA ALA 33 HA ALA 33 17.293 5.341 -8.458 245 1HB ALA 33 HB2 ALA 33 18.572 6.831 -6.850 246 2HB ALA 33 HB1 ALA 33 19.568 7.290 -8.232 247 3HB ALA 33 HB3 ALA 33 17.836 7.625 -8.242 248 H GLN 34 HN GLN 34 20.612 5.837 -9.658 249 HA GLN 34 HA GLN 34 19.804 6.519 -12.280 250 1HB GLN 34 HB2 GLN 34 22.030 7.085 -11.407 251 2HB GLN 34 HB1 GLN 34 22.436 5.378 -11.307 252 1HG GLN 34 HG2 GLN 34 21.575 6.317 -13.959 253 2HG GLN 34 HG1 GLN 34 23.096 6.985 -13.369 254 1HE2 GLN 34 1HE2 GLN 34 21.616 4.373 -14.883 255 2HE2 GLN 34 2HE2 GLN 34 22.937 3.261 -14.821 256 H ASN 35 HN ASN 35 20.602 3.483 -10.688 257 HA ASN 35 HA ASN 35 20.660 1.846 -12.982 258 1HB ASN 35 HB2 ASN 35 21.429 1.242 -10.623 259 2HB ASN 35 HB1 ASN 35 19.735 0.934 -10.258 260 1HD2 ASN 35 1HD2 ASN 35 22.287 0.071 -12.561 261 2HD2 ASN 35 2HD2 ASN 35 21.768 -1.562 -12.787 262 H LEU 36 HN LEU 36 18.039 3.194 -11.178 263 HA LEU 36 HA LEU 36 15.931 1.510 -11.898 264 1HB LEU 36 HB2 LEU 36 16.005 3.604 -10.314 265 2HB LEU 36 HB1 LEU 36 15.578 4.486 -11.767 266 HG LEU 36 HG LEU 36 13.631 2.768 -11.945 267 1HD1 LEU 36 3HD1 LEU 36 14.380 2.543 -9.036 268 2HD1 LEU 36 2HD1 LEU 36 12.843 2.018 -9.724 269 3HD1 LEU 36 1HD1 LEU 36 14.345 1.243 -10.228 270 1HD2 LEU 36 3HD2 LEU 36 13.697 4.948 -9.863 271 2HD2 LEU 36 2HD2 LEU 36 13.294 5.132 -11.570 272 3HD2 LEU 36 1HD2 LEU 36 12.233 4.207 -10.509 273 H TYR 37 HN TYR 37 17.337 4.346 -13.418 274 HA TYR 37 HA TYR 37 15.714 4.359 -15.746 275 1HB TYR 37 HB2 TYR 37 18.467 5.478 -15.181 276 2HB TYR 37 HB1 TYR 37 17.651 5.693 -16.725 277 HD1 TYR 37 HD1 TYR 37 15.689 7.131 -16.908 278 HD2 TYR 37 HD2 TYR 37 17.725 6.662 -13.201 279 HE1 TYR 37 HE1 TYR 37 14.523 9.106 -16.024 280 HE2 TYR 37 HE2 TYR 37 16.563 8.635 -12.307 281 HH TYR 37 HH TYR 37 15.298 10.891 -13.870 282 H GLU 38 HN GLU 38 18.762 2.827 -14.872 283 HA GLU 38 HA GLU 38 19.513 1.809 -17.369 284 1HB GLU 38 HB2 GLU 38 20.666 1.784 -14.950 285 2HB GLU 38 HB1 GLU 38 20.049 0.137 -14.972 286 1HG GLU 38 HG2 GLU 38 21.956 1.397 -16.927 287 2HG GLU 38 HG1 GLU 38 22.302 0.126 -15.757 288 H LYS 39 HN LYS 39 17.800 0.104 -14.766 289 HA LYS 39 HA LYS 39 17.270 -2.249 -16.153 290 1HB LYS 39 HB2 LYS 39 16.876 -1.437 -13.619 291 2HB LYS 39 HB1 LYS 39 15.224 -1.343 -14.214 292 1HG LYS 39 HG2 LYS 39 16.347 -3.812 -15.072 293 2HG LYS 39 HG1 LYS 39 16.657 -3.618 -13.345 294 1HD LYS 39 HD2 LYS 39 14.370 -3.437 -12.843 295 2HD LYS 39 HD1 LYS 39 13.938 -3.125 -14.525 296 1HE LYS 39 HE2 LYS 39 14.035 -5.329 -15.105 297 2HE LYS 39 HE1 LYS 39 15.269 -5.704 -13.903 298 1HZ LYS 39 HZ1 LYS 39 12.406 -5.179 -13.309 299 2HZ LYS 39 HZ3 LYS 39 13.128 -6.708 -13.364 300 3HZ LYS 39 HZ2 LYS 39 13.595 -5.594 -12.180 301 H THR 40 HN THR 40 15.904 0.844 -16.693 302 HA THR 40 HA THR 40 13.316 0.024 -17.555 303 HB THR 40 HB THR 40 14.898 2.475 -18.356 304 HG1 THR 40 HG1 THR 40 14.610 2.640 -16.211 305 1HG2 THR 40 3HG2 THR 40 11.960 1.880 -18.559 306 2HG2 THR 40 2HG2 THR 40 12.657 3.494 -18.694 307 3HG2 THR 40 1HG2 THR 40 13.078 2.251 -19.871 308 H TYR 41 HN TYR 41 16.317 0.745 -19.262 309 HA TYR 41 HA TYR 41 15.375 0.115 -21.858 310 1HB TYR 41 HB2 TYR 41 18.266 -0.223 -21.168 311 2HB TYR 41 HB1 TYR 41 17.537 0.477 -22.607 312 HD1 TYR 41 HD1 TYR 41 16.027 2.677 -21.962 313 HD2 TYR 41 HD2 TYR 41 19.430 1.247 -19.844 314 HE1 TYR 41 HE1 TYR 41 16.395 4.927 -21.045 315 HE2 TYR 41 HE2 TYR 41 19.806 3.494 -18.921 316 HH TYR 41 HH TYR 41 18.940 6.088 -19.974 317 H LEU 42 HN LEU 42 17.042 -1.808 -19.390 318 HA LEU 42 HA LEU 42 17.350 -4.120 -21.040 319 1HB LEU 42 HB2 LEU 42 17.754 -3.492 -18.154 320 2HB LEU 42 HB1 LEU 42 17.681 -5.174 -18.641 321 HG LEU 42 HG LEU 42 19.990 -4.290 -18.474 322 1HD1 LEU 42 3HD1 LEU 42 19.371 -6.181 -19.967 323 2HD1 LEU 42 2HD1 LEU 42 19.248 -5.028 -21.297 324 3HD1 LEU 42 1HD1 LEU 42 20.796 -5.285 -20.492 325 1HD2 LEU 42 2HD2 LEU 42 19.354 -1.990 -19.308 326 2HD2 LEU 42 1HD2 LEU 42 20.839 -2.671 -19.972 327 3HD2 LEU 42 3HD2 LEU 42 19.360 -2.676 -20.933 328 HA PRO 43 HA PRO 43 13.394 -6.007 -20.285 329 1HB PRO 43 HB2 PRO 43 13.825 -8.347 -21.474 330 2HB PRO 43 HB1 PRO 43 13.873 -6.842 -22.400 331 1HG PRO 43 HG2 PRO 43 16.116 -8.551 -21.442 332 2HG PRO 43 HG1 PRO 43 15.980 -7.608 -22.936 333 1HD PRO 43 HD2 PRO 43 17.315 -6.840 -20.568 334 2HD PRO 43 HD1 PRO 43 16.950 -5.807 -21.962 335 H ALA 44 HN ALA 44 15.535 -6.295 -18.101 336 HA ALA 44 HA ALA 44 15.484 -8.935 -17.099 337 1HB ALA 44 HB2 ALA 44 16.192 -6.271 -15.958 338 2HB ALA 44 HB1 ALA 44 16.059 -7.670 -14.893 339 3HB ALA 44 HB3 ALA 44 17.209 -7.687 -16.230 340 H VAL 45 HN VAL 45 13.084 -6.513 -17.116 341 HA VAL 45 HA VAL 45 11.676 -6.595 -14.847 342 HB VAL 45 HB VAL 45 10.464 -6.826 -17.604 343 1HG1 VAL 45 3HG1 VAL 45 9.275 -6.100 -14.941 344 2HG1 VAL 45 2HG1 VAL 45 8.554 -5.577 -16.463 345 3HG1 VAL 45 1HG1 VAL 45 8.714 -7.297 -16.108 346 1HG2 VAL 45 1HG2 VAL 45 11.443 -4.508 -15.968 347 2HG2 VAL 45 3HG2 VAL 45 11.806 -4.917 -17.645 348 3HG2 VAL 45 2HG2 VAL 45 10.213 -4.297 -17.214 349 H ASP 46 HN ASP 46 10.863 -8.920 -17.443 350 HA ASP 46 HA ASP 46 9.305 -10.541 -15.720 351 1HB ASP 46 HB2 ASP 46 9.234 -10.323 -18.305 352 2HB ASP 46 HB1 ASP 46 10.491 -11.555 -18.286 353 H GLU 47 HN GLU 47 12.716 -10.492 -16.420 354 HA GLU 47 HA GLU 47 13.296 -13.190 -15.745 355 1HB GLU 47 HB2 GLU 47 14.889 -10.689 -16.043 356 2HB GLU 47 HB1 GLU 47 15.625 -12.035 -15.187 357 1HG GLU 47 HG2 GLU 47 16.292 -12.715 -17.196 358 2HG GLU 47 HG1 GLU 47 14.629 -13.259 -17.413 359 H LYS 48 HN LYS 48 13.286 -10.188 -13.837 360 HA LYS 48 HA LYS 48 14.244 -11.304 -11.435 361 1HB LYS 48 HB2 LYS 48 12.959 -8.795 -12.266 362 2HB LYS 48 HB1 LYS 48 12.642 -9.245 -10.598 363 1HG LYS 48 HG2 LYS 48 14.544 -8.106 -10.230 364 2HG LYS 48 HG1 LYS 48 15.291 -9.645 -10.663 365 1HD LYS 48 HD2 LYS 48 14.723 -8.134 -13.037 366 2HD LYS 48 HD1 LYS 48 15.641 -7.143 -11.903 367 1HE LYS 48 HE2 LYS 48 17.336 -8.194 -13.047 368 2HE LYS 48 HE1 LYS 48 17.118 -9.286 -11.680 369 1HZ LYS 48 HZ2 LYS 48 15.674 -9.732 -14.215 370 2HZ LYS 48 HZ1 LYS 48 17.263 -10.276 -14.019 371 3HZ LYS 48 HZ3 LYS 48 16.042 -10.844 -12.994 372 H LEU 49 HN LEU 49 11.087 -11.349 -12.910 373 HA LEU 49 HA LEU 49 9.530 -11.907 -10.625 374 1HB LEU 49 HB2 LEU 49 9.083 -12.724 -13.502 375 2HB LEU 49 HB1 LEU 49 7.883 -12.840 -12.231 376 HG LEU 49 HG LEU 49 9.123 -10.234 -13.111 377 1HD1 LEU 49 3HD1 LEU 49 7.768 -11.502 -14.872 378 2HD1 LEU 49 2HD1 LEU 49 6.372 -11.178 -13.842 379 3HD1 LEU 49 1HD1 LEU 49 7.301 -9.839 -14.516 380 1HD2 LEU 49 3HD2 LEU 49 6.715 -10.888 -11.417 381 2HD2 LEU 49 2HD2 LEU 49 8.229 -10.171 -10.866 382 3HD2 LEU 49 1HD2 LEU 49 7.171 -9.271 -11.951 383 H ARG 50 HN ARG 50 10.629 -14.148 -13.177 384 HA ARG 50 HA ARG 50 10.089 -16.494 -11.703 385 1HB ARG 50 HB2 ARG 50 10.776 -15.984 -14.290 386 2HB ARG 50 HB1 ARG 50 12.289 -16.629 -13.668 387 1HG ARG 50 HG2 ARG 50 11.349 -18.579 -14.306 388 2HG ARG 50 HG1 ARG 50 10.630 -18.476 -12.698 389 1HD ARG 50 HD2 ARG 50 9.009 -17.005 -14.529 390 2HD ARG 50 HD1 ARG 50 9.321 -18.601 -15.206 391 HE ARG 50 HE ARG 50 8.163 -19.570 -13.433 392 1HH1 ARG 50 1HH1 ARG 50 8.345 -16.091 -13.030 393 2HH1 ARG 50 2HH1 ARG 50 7.117 -16.048 -11.812 394 1HH2 ARG 50 1HH2 ARG 50 6.549 -19.501 -11.830 395 2HH2 ARG 50 2HH2 ARG 50 6.097 -17.982 -11.131 396 H ASP 51 HN ASP 51 12.847 -14.337 -11.868 397 HA ASP 51 HA ASP 51 14.834 -15.936 -10.741 398 1HB ASP 51 HB2 ASP 51 15.479 -13.833 -11.644 399 2HB ASP 51 HB1 ASP 51 14.343 -12.962 -10.621 400 H LEU 52 HN LEU 52 12.698 -13.624 -9.058 401 HA LEU 52 HA LEU 52 13.477 -14.425 -6.456 402 1HB LEU 52 HB2 LEU 52 10.953 -13.036 -7.364 403 2HB LEU 52 HB1 LEU 52 11.496 -13.161 -5.701 404 HG LEU 52 HG LEU 52 13.255 -11.867 -7.755 405 1HD1 LEU 52 3HD1 LEU 52 11.066 -10.794 -7.973 406 2HD1 LEU 52 2HD1 LEU 52 11.042 -10.495 -6.234 407 3HD1 LEU 52 1HD1 LEU 52 12.254 -9.711 -7.248 408 1HD2 LEU 52 2HD2 LEU 52 12.905 -11.599 -4.774 409 2HD2 LEU 52 1HD2 LEU 52 14.271 -12.311 -5.633 410 3HD2 LEU 52 3HD2 LEU 52 13.964 -10.577 -5.746 411 H TYR 53 HN TYR 53 11.177 -15.685 -8.735 412 HA TYR 53 HA TYR 53 9.519 -17.104 -6.925 413 1HB TYR 53 HB2 TYR 53 9.149 -16.534 -9.440 414 2HB TYR 53 HB1 TYR 53 10.040 -18.021 -9.739 415 HD1 TYR 53 HD1 TYR 53 9.008 -20.142 -9.464 416 HD2 TYR 53 HD2 TYR 53 6.993 -16.623 -8.177 417 HE1 TYR 53 HE1 TYR 53 6.942 -21.441 -9.167 418 HE2 TYR 53 HE2 TYR 53 4.922 -17.912 -7.874 419 HH TYR 53 HH TYR 53 4.619 -20.835 -7.443 420 H SER 54 HN SER 54 12.284 -18.132 -8.934 421 HA SER 54 HA SER 54 12.371 -20.799 -8.056 422 1HB SER 54 HB2 SER 54 14.657 -19.069 -9.037 423 2HB SER 54 HB1 SER 54 14.666 -20.829 -8.944 424 HG SER 54 HG SER 54 13.442 -19.152 -10.774 425 H LYS 55 HN LYS 55 14.065 -17.904 -6.883 426 HA LYS 55 HA LYS 55 15.603 -19.163 -4.894 427 1HB LYS 55 HB2 LYS 55 15.966 -16.847 -5.744 428 2HB LYS 55 HB1 LYS 55 14.528 -16.336 -4.875 429 1HG LYS 55 HG2 LYS 55 16.558 -17.730 -3.262 430 2HG LYS 55 HG1 LYS 55 17.032 -16.155 -3.901 431 1HD LYS 55 HD2 LYS 55 14.447 -16.609 -2.424 432 2HD LYS 55 HD1 LYS 55 15.945 -16.160 -1.611 433 1HE LYS 55 HE2 LYS 55 15.123 -14.072 -1.941 434 2HE LYS 55 HE1 LYS 55 15.920 -14.274 -3.501 435 1HZ LYS 55 HZ2 LYS 55 13.179 -15.232 -3.342 436 2HZ LYS 55 HZ1 LYS 55 13.376 -13.556 -3.230 437 3HZ LYS 55 HZ3 LYS 55 13.964 -14.390 -4.579 438 H SER 56 HN SER 56 12.414 -17.591 -4.737 439 HA SER 56 HA SER 56 11.986 -17.946 -1.984 440 1HB SER 56 HB2 SER 56 10.133 -17.511 -4.312 441 2HB SER 56 HB1 SER 56 9.508 -17.739 -2.678 442 HG SER 56 HG SER 56 10.885 -15.598 -3.773 443 H THR 57 HN THR 57 11.900 -20.315 -4.504 444 HA THR 57 HA THR 57 9.944 -22.061 -3.556 445 HB THR 57 HB THR 57 12.546 -22.843 -4.886 446 HG1 THR 57 HG1 THR 57 10.093 -21.977 -6.014 447 1HG2 THR 57 3HG2 THR 57 9.863 -24.200 -4.834 448 2HG2 THR 57 2HG2 THR 57 11.214 -24.663 -5.870 449 3HG2 THR 57 1HG2 THR 57 11.363 -24.785 -4.116 450 H ALA 58 HN ALA 58 13.463 -22.173 -2.935 451 HA ALA 58 HA ALA 58 13.047 -24.049 -0.752 452 1HB ALA 58 HB1 ALA 58 14.914 -24.411 -2.279 453 2HB ALA 58 HB3 ALA 58 15.596 -22.848 -1.829 454 3HB ALA 58 HB2 ALA 58 15.485 -24.139 -0.633 455 H ALA 59 HN ALA 59 14.211 -20.725 -1.212 456 HA ALA 59 HA ALA 59 14.929 -20.209 1.455 457 1HB ALA 59 HB1 ALA 59 14.948 -17.879 0.849 458 2HB ALA 59 HB2 ALA 59 13.967 -18.205 -0.580 459 3HB ALA 59 HB3 ALA 59 15.614 -18.829 -0.479 460 H MET 60 HN MET 60 12.007 -19.024 -0.242 461 HA MET 60 HA MET 60 10.717 -18.108 2.075 462 1HB MET 60 HB2 MET 60 10.238 -17.784 -0.535 463 2HB MET 60 HB1 MET 60 9.039 -19.024 -0.197 464 1HG MET 60 HG2 MET 60 7.815 -17.133 0.157 465 2HG MET 60 HG1 MET 60 8.400 -17.456 1.788 466 1HE MET 60 HE1 MET 60 9.181 -15.987 3.161 467 2HE MET 60 HE3 MET 60 10.878 -15.817 2.717 468 3HE MET 60 HE2 MET 60 9.861 -14.385 2.879 469 H SER 61 HN SER 61 11.119 -21.338 0.965 470 HA SER 61 HA SER 61 8.731 -22.474 1.979 471 1HB SER 61 HB2 SER 61 11.196 -23.425 0.799 472 2HB SER 61 HB1 SER 61 10.719 -24.446 2.154 473 HG SER 61 HG SER 61 9.472 -24.033 -0.291 474 H THR 62 HN THR 62 11.544 -21.290 3.555 475 HA THR 62 HA THR 62 10.936 -22.777 6.009 476 HB THR 62 HB THR 62 13.106 -21.872 6.834 477 HG1 THR 62 HG1 THR 62 13.699 -20.143 5.781 478 1HG2 THR 62 2HG2 THR 62 13.031 -24.055 5.667 479 2HG2 THR 62 1HG2 THR 62 13.446 -23.219 4.169 480 3HG2 THR 62 3HG2 THR 62 14.575 -23.216 5.524 481 H TYR 63 HN TYR 63 11.518 -19.456 4.863 482 HA TYR 63 HA TYR 63 10.820 -18.167 7.256 483 1HB TYR 63 HB2 TYR 63 10.715 -17.093 4.431 484 2HB TYR 63 HB1 TYR 63 10.701 -16.128 5.903 485 HD1 TYR 63 HD1 TYR 63 12.728 -17.376 3.338 486 HD2 TYR 63 HD2 TYR 63 12.763 -16.589 7.519 487 HE1 TYR 63 HE1 TYR 63 15.184 -17.293 3.295 488 HE2 TYR 63 HE2 TYR 63 15.219 -16.502 7.488 489 HH TYR 63 HH TYR 63 17.015 -15.951 5.176 490 H THR 64 HN THR 64 8.879 -19.680 4.833 491 HA THR 64 HA THR 64 6.561 -18.070 5.207 492 HB THR 64 HB THR 64 7.073 -20.747 3.966 493 HG1 THR 64 HG1 THR 64 5.907 -18.329 3.050 494 1HG2 THR 64 2HG2 THR 64 4.351 -19.669 4.626 495 2HG2 THR 64 1HG2 THR 64 4.641 -20.794 3.299 496 3HG2 THR 64 3HG2 THR 64 5.007 -21.273 4.955 497 H GLY 65 HN GLY 65 7.397 -21.313 6.405 498 1HA GLY 65 HA1 GLY 65 6.663 -22.446 8.271 499 2HA GLY 65 HA2 GLY 65 5.227 -21.427 8.240 500 H ILE 66 HN ILE 66 8.573 -20.341 8.441 501 HA ILE 66 HA ILE 66 8.685 -19.963 11.239 502 HB ILE 66 HB ILE 66 10.345 -19.140 8.927 503 1HG1 ILE 66 2HG1 ILE 66 12.142 -19.918 10.528 504 2HG1 ILE 66 1HG1 ILE 66 10.859 -20.306 11.667 505 1HG2 ILE 66 3HG2 ILE 66 10.311 -17.586 11.496 506 2HG2 ILE 66 2HG2 ILE 66 11.752 -17.692 10.485 507 3HG2 ILE 66 1HG2 ILE 66 10.273 -16.980 9.840 508 1HD1 ILE 66 3HD1 ILE 66 9.921 -21.712 9.682 509 2HD1 ILE 66 2HD1 ILE 66 11.584 -21.627 9.101 510 3HD1 ILE 66 1HD1 ILE 66 11.236 -22.335 10.679 511 H PHE 67 HN PHE 67 8.280 -17.533 8.639 512 HA PHE 67 HA PHE 67 7.774 -15.319 10.223 513 1HB PHE 67 HB2 PHE 67 6.737 -16.039 7.486 514 2HB PHE 67 HB1 PHE 67 6.341 -14.508 8.253 515 HD1 PHE 67 HD1 PHE 67 7.552 -14.250 5.758 516 HD2 PHE 67 HD2 PHE 67 9.458 -15.035 9.485 517 HE1 PHE 67 HE1 PHE 67 9.641 -13.284 4.892 518 HE2 PHE 67 HE2 PHE 67 11.548 -14.069 8.622 519 HZ PHE 67 HZ PHE 67 11.642 -13.192 6.323 520 H THR 68 HN THR 68 5.356 -17.536 8.841 521 HA THR 68 HA THR 68 3.139 -16.375 10.127 522 HB THR 68 HB THR 68 3.415 -19.220 9.154 523 HG1 THR 68 HG1 THR 68 3.656 -18.254 7.306 524 1HG2 THR 68 2HG2 THR 68 1.010 -17.496 9.657 525 2HG2 THR 68 1HG2 THR 68 0.972 -18.940 8.646 526 3HG2 THR 68 3HG2 THR 68 1.391 -19.071 10.354 527 H ASP 69 HN ASP 69 5.559 -18.544 11.263 528 HA ASP 69 HA ASP 69 4.186 -19.890 13.298 529 1HB ASP 69 HB2 ASP 69 6.533 -20.383 12.580 530 2HB ASP 69 HB1 ASP 69 7.055 -18.935 13.432 531 H GLN 70 HN GLN 70 6.035 -16.849 13.507 532 HA GLN 70 HA GLN 70 5.270 -16.304 16.192 533 1HB GLN 70 HB2 GLN 70 6.477 -14.585 14.026 534 2HB GLN 70 HB1 GLN 70 6.138 -13.977 15.640 535 1HG GLN 70 HG2 GLN 70 8.360 -14.548 15.785 536 2HG GLN 70 HG1 GLN 70 7.565 -15.979 16.437 537 1HE2 GLN 70 1HE2 GLN 70 8.810 -14.644 13.393 538 2HE2 GLN 70 2HE2 GLN 70 9.376 -16.151 12.766 539 H VAL 71 HN VAL 71 3.822 -15.655 13.105 540 HA VAL 71 HA VAL 71 2.084 -13.551 13.903 541 HB VAL 71 HB VAL 71 1.788 -15.543 11.639 542 1HG1 VAL 71 3HG1 VAL 71 0.251 -13.048 12.314 543 2HG1 VAL 71 2HG1 VAL 71 0.277 -13.739 10.692 544 3HG1 VAL 71 1HG1 VAL 71 -0.369 -14.676 12.039 545 1HG2 VAL 71 3HG2 VAL 71 3.767 -13.798 11.806 546 2HG2 VAL 71 2HG2 VAL 71 2.953 -14.125 10.277 547 3HG2 VAL 71 1HG2 VAL 71 2.526 -12.694 11.215 548 H LEU 72 HN LEU 72 1.609 -17.023 13.386 549 HA LEU 72 HA LEU 72 -1.007 -17.222 14.353 550 1HB LEU 72 HB2 LEU 72 0.557 -18.967 13.152 551 2HB LEU 72 HB1 LEU 72 0.973 -19.425 14.792 552 HG LEU 72 HG LEU 72 -1.561 -19.685 15.164 553 1HD1 LEU 72 3HD1 LEU 72 -1.467 -19.725 12.151 554 2HD1 LEU 72 2HD1 LEU 72 -2.837 -20.226 13.141 555 3HD1 LEU 72 1HD1 LEU 72 -2.307 -18.545 13.157 556 1HD2 LEU 72 1HD2 LEU 72 0.062 -21.538 15.032 557 2HD2 LEU 72 3HD2 LEU 72 -1.512 -21.962 14.359 558 3HD2 LEU 72 2HD2 LEU 72 -0.166 -21.585 13.283 559 H SER 73 HN SER 73 2.121 -17.173 15.961 560 HA SER 73 HA SER 73 1.303 -18.012 18.507 561 1HB SER 73 HB2 SER 73 3.436 -17.564 19.129 562 2HB SER 73 HB1 SER 73 3.699 -17.245 17.416 563 HG SER 73 HG SER 73 3.605 -15.102 17.786 564 H VAL 74 HN VAL 74 1.088 -14.886 16.943 565 HA VAL 74 HA VAL 74 0.277 -13.453 19.279 566 HB VAL 74 HB VAL 74 -0.247 -12.725 16.390 567 1HG1 VAL 74 1HG1 VAL 74 -0.579 -11.315 18.978 568 2HG1 VAL 74 3HG1 VAL 74 0.021 -10.377 17.610 569 3HG1 VAL 74 2HG1 VAL 74 -1.529 -11.209 17.496 570 1HG2 VAL 74 3HG2 VAL 74 2.213 -12.705 17.979 571 2HG2 VAL 74 2HG2 VAL 74 1.988 -12.637 16.232 572 3HG2 VAL 74 1HG2 VAL 74 1.845 -11.168 17.196 573 H LEU 75 HN LEU 75 -1.312 -15.604 17.111 574 HA LEU 75 HA LEU 75 -3.964 -14.645 17.311 575 1HB LEU 75 HB2 LEU 75 -2.860 -16.497 15.779 576 2HB LEU 75 HB1 LEU 75 -3.406 -17.563 17.060 577 HG LEU 75 HG LEU 75 -5.724 -16.621 16.719 578 1HD1 LEU 75 1HD1 LEU 75 -4.419 -15.455 14.264 579 2HD1 LEU 75 3HD1 LEU 75 -6.158 -15.552 14.542 580 3HD1 LEU 75 2HD1 LEU 75 -5.150 -14.560 15.596 581 1HD2 LEU 75 1HD2 LEU 75 -5.025 -18.802 15.845 582 2HD2 LEU 75 3HD2 LEU 75 -6.170 -18.004 14.769 583 3HD2 LEU 75 2HD2 LEU 75 -4.452 -18.024 14.371 584 H LYS 76 HN LYS 76 -2.001 -16.740 19.278 585 HA LYS 76 HA LYS 76 -4.087 -17.620 21.018 586 1HB LYS 76 HB2 LYS 76 -1.081 -17.582 21.335 587 2HB LYS 76 HB1 LYS 76 -2.173 -18.293 22.516 588 1HG LYS 76 HG2 LYS 76 -1.640 -20.154 21.333 589 2HG LYS 76 HG1 LYS 76 -3.034 -19.616 20.396 590 1HD LYS 76 HD2 LYS 76 -1.719 -18.809 18.662 591 2HD LYS 76 HD1 LYS 76 -0.283 -18.678 19.680 592 1HE LYS 76 HE2 LYS 76 -0.077 -21.093 19.747 593 2HE LYS 76 HE1 LYS 76 -1.565 -21.270 18.818 594 1HZ LYS 76 HZ3 LYS 76 -0.466 -20.085 16.982 595 2HZ LYS 76 HZ2 LYS 76 0.972 -20.045 17.872 596 3HZ LYS 76 HZ1 LYS 76 0.323 -21.528 17.380 597 H GLY 77 HN GLY 77 -1.772 -14.953 21.056 598 1HA GLY 77 HA1 GLY 77 -1.407 -13.321 22.688 599 2HA GLY 77 HA2 GLY 77 -2.647 -14.067 23.684 600 H GLU 78 HN GLU 78 -4.908 -13.750 23.004 601 HA GLU 78 HA GLU 78 -6.677 -12.433 22.483 602 1HB GLU 78 HB2 GLU 78 -5.169 -10.876 23.911 603 2HB GLU 78 HB1 GLU 78 -4.850 -10.053 22.391 604 1HG GLU 78 HG2 GLU 78 -6.649 -9.002 23.694 605 2HG GLU 78 HG1 GLU 78 -7.185 -9.553 22.109 606 H GLU 79 HN GLU 79 -5.272 -13.633 20.265 607 HA GLU 79 HA GLU 79 -5.446 -13.675 18.004 608 1HB GLU 79 HB2 GLU 79 -6.983 -11.089 18.308 609 2HB GLU 79 HB1 GLU 79 -6.858 -12.034 16.833 610 1HG GLU 79 HG2 GLU 79 -8.883 -12.733 17.616 611 2HG GLU 79 HG1 GLU 79 -7.824 -13.950 18.326 No H/Q in entry = 611 Start of MODEL 14 1 H1 THR 1 HT1 THR 1 27.023 -15.680 28.797 2 H2 THR 1 HT3 THR 1 26.315 -17.234 28.934 3 H3 THR 1 HT2 THR 1 25.394 -15.924 28.316 4 HA THR 1 HA THR 1 24.751 -16.388 30.533 5 HB THR 1 HB THR 1 27.653 -15.834 31.204 6 HG1 THR 1 HG1 THR 1 26.180 -18.259 31.215 7 1HG2 THR 1 2HG2 THR 1 25.343 -16.628 32.958 8 2HG2 THR 1 1HG2 THR 1 27.035 -16.679 33.449 9 3HG2 THR 1 3HG2 THR 1 26.284 -15.139 33.034 10 H GLN 2 HN GLN 2 23.506 -14.653 30.778 11 HA GLN 2 HA GLN 2 24.784 -12.027 31.106 12 1HB GLN 2 HB2 GLN 2 22.565 -12.765 29.226 13 2HB GLN 2 HB1 GLN 2 22.654 -11.139 29.887 14 1HG GLN 2 HG2 GLN 2 23.905 -10.719 28.087 15 2HG GLN 2 HG1 GLN 2 25.196 -11.472 29.023 16 1HE2 GLN 2 1HE2 GLN 2 26.251 -13.070 28.070 17 2HE2 GLN 2 2HE2 GLN 2 25.675 -14.020 26.749 18 H GLN 3 HN GLN 3 23.911 -10.731 32.650 19 HA GLN 3 HA GLN 3 22.022 -11.949 34.474 20 1HB GLN 3 HB2 GLN 3 23.861 -9.615 34.530 21 2HB GLN 3 HB1 GLN 3 22.439 -9.526 35.559 22 1HG GLN 3 HG2 GLN 3 24.058 -12.006 35.662 23 2HG GLN 3 HG1 GLN 3 24.735 -10.549 36.388 24 1HE2 GLN 3 1HE2 GLN 3 23.241 -9.380 37.901 25 2HE2 GLN 3 2HE2 GLN 3 22.269 -10.349 38.951 26 HA PRO 4 HA PRO 4 18.210 -9.962 33.475 27 1HB PRO 4 HB2 PRO 4 18.329 -8.461 36.051 28 2HB PRO 4 HB1 PRO 4 17.033 -9.465 35.391 29 1HG PRO 4 HG2 PRO 4 18.584 -10.377 37.348 30 2HG PRO 4 HG1 PRO 4 18.060 -11.444 36.034 31 1HD PRO 4 HD2 PRO 4 20.718 -10.169 36.498 32 2HD PRO 4 HD1 PRO 4 20.333 -11.765 35.822 33 H GLN 5 HN GLN 5 20.657 -7.818 34.881 34 HA GLN 5 HA GLN 5 19.573 -5.411 33.789 35 1HB GLN 5 HB2 GLN 5 22.391 -5.944 34.754 36 2HB GLN 5 HB1 GLN 5 21.650 -4.367 34.519 37 1HG GLN 5 HG2 GLN 5 21.294 -4.503 36.728 38 2HG GLN 5 HG1 GLN 5 19.890 -5.449 36.238 39 1HE2 GLN 5 1HE2 GLN 5 19.657 -7.333 37.217 40 2HE2 GLN 5 2HE2 GLN 5 20.916 -8.262 37.948 41 H GLN 6 HN GLN 6 22.119 -7.668 32.805 42 HA GLN 6 HA GLN 6 23.040 -6.158 30.587 43 1HB GLN 6 HB2 GLN 6 23.324 -9.011 31.458 44 2HB GLN 6 HB1 GLN 6 23.853 -8.538 29.851 45 1HG GLN 6 HG2 GLN 6 25.801 -8.151 30.880 46 2HG GLN 6 HG1 GLN 6 25.042 -6.622 31.324 47 1HE2 GLN 6 1HE2 GLN 6 24.196 -6.382 33.433 48 2HE2 GLN 6 2HE2 GLN 6 24.734 -7.388 34.731 49 H ASP 7 HN ASP 7 20.584 -8.683 30.942 50 HA ASP 7 HA ASP 7 20.074 -8.968 28.159 51 1HB ASP 7 HB2 ASP 7 18.516 -9.766 30.612 52 2HB ASP 7 HB1 ASP 7 17.946 -10.100 28.980 53 H GLU 8 HN GLU 8 18.503 -7.115 30.735 54 HA GLU 8 HA GLU 8 16.402 -6.124 29.097 55 1HB GLU 8 HB2 GLU 8 15.849 -4.670 30.936 56 2HB GLU 8 HB1 GLU 8 16.258 -6.259 31.562 57 1HG GLU 8 HG2 GLU 8 17.369 -4.927 33.038 58 2HG GLU 8 HG1 GLU 8 18.634 -5.205 31.846 59 H MET 9 HN MET 9 19.693 -5.301 29.150 60 HA MET 9 HA MET 9 19.496 -2.508 28.688 61 1HB MET 9 HB2 MET 9 21.619 -4.555 28.548 62 2HB MET 9 HB1 MET 9 21.847 -3.169 27.491 63 1HG MET 9 HG2 MET 9 21.220 -2.835 30.400 64 2HG MET 9 HG1 MET 9 22.868 -3.088 29.828 65 1HE MET 9 HE2 MET 9 20.626 -0.623 31.085 66 2HE MET 9 HE1 MET 9 20.606 0.772 30.007 67 3HE MET 9 HE3 MET 9 19.698 -0.681 29.586 68 HA PRO 10 HA PRO 10 19.747 -3.421 24.017 69 1HB PRO 10 HB2 PRO 10 20.163 -5.881 23.067 70 2HB PRO 10 HB1 PRO 10 21.492 -4.917 23.726 71 1HG PRO 10 HG2 PRO 10 19.941 -7.134 25.009 72 2HG PRO 10 HG1 PRO 10 21.687 -6.828 25.038 73 1HD PRO 10 HD2 PRO 10 19.958 -6.132 27.062 74 2HD PRO 10 HD1 PRO 10 21.514 -5.340 26.760 75 H SER 11 HN SER 11 17.577 -4.762 26.078 76 HA SER 11 HA SER 11 15.885 -6.201 24.287 77 1HB SER 11 HB2 SER 11 15.672 -5.219 27.098 78 2HB SER 11 HB1 SER 11 14.180 -5.626 26.252 79 HG SER 11 HG SER 11 16.294 -7.272 27.039 80 HA PRO 12 HA PRO 12 13.226 -2.200 24.158 81 1HB PRO 12 HB2 PRO 12 14.133 0.052 25.342 82 2HB PRO 12 HB1 PRO 12 13.207 -1.170 26.220 83 1HG PRO 12 HG2 PRO 12 16.164 -0.714 26.162 84 2HG PRO 12 HG1 PRO 12 15.115 -1.083 27.544 85 1HD PRO 12 HD2 PRO 12 16.642 -2.954 26.291 86 2HD PRO 12 HD1 PRO 12 15.108 -3.335 27.096 87 H THR 13 HN THR 13 16.728 -1.678 24.112 88 HA THR 13 HA THR 13 16.691 0.361 22.121 89 HB THR 13 HB THR 13 19.018 -1.447 22.774 90 HG1 THR 13 HG1 THR 13 18.101 0.844 24.172 91 1HG2 THR 13 3HG2 THR 13 19.372 0.079 20.900 92 2HG2 THR 13 2HG2 THR 13 18.948 1.441 21.938 93 3HG2 THR 13 1HG2 THR 13 20.387 0.482 22.284 94 H PHE 14 HN PHE 14 15.867 -0.058 20.172 95 HA PHE 14 HA PHE 14 17.133 -2.047 18.503 96 1HB PHE 14 HB2 PHE 14 14.355 -2.380 19.523 97 2HB PHE 14 HB1 PHE 14 14.642 -2.768 17.830 98 HD1 PHE 14 HD1 PHE 14 14.323 -4.217 20.877 99 HD2 PHE 14 HD2 PHE 14 17.054 -4.128 17.615 100 HE1 PHE 14 HE1 PHE 14 15.179 -6.425 21.539 101 HE2 PHE 14 HE2 PHE 14 17.915 -6.336 18.271 102 HZ PHE 14 HZ PHE 14 16.977 -7.489 20.235 103 H LEU 15 HN LEU 15 14.249 0.060 18.668 104 HA LEU 15 HA LEU 15 14.188 0.692 15.927 105 1HB LEU 15 HB2 LEU 15 12.413 1.050 17.798 106 2HB LEU 15 HB1 LEU 15 13.217 2.590 18.034 107 HG LEU 15 HG LEU 15 12.822 2.984 15.527 108 1HD1 LEU 15 2HD1 LEU 15 10.878 0.729 16.003 109 2HD1 LEU 15 1HD1 LEU 15 10.896 1.783 14.589 110 3HD1 LEU 15 3HD1 LEU 15 12.259 0.710 14.907 111 1HD2 LEU 15 1HD2 LEU 15 10.477 2.850 17.421 112 2HD2 LEU 15 3HD2 LEU 15 11.628 4.179 17.281 113 3HD2 LEU 15 2HD2 LEU 15 10.551 3.800 15.937 114 H THR 16 HN THR 16 16.027 2.029 18.587 115 HA THR 16 HA THR 16 16.749 4.506 17.523 116 HB THR 16 HB THR 16 18.843 4.212 18.952 117 HG1 THR 16 HG1 THR 16 19.210 2.148 19.267 118 1HG2 THR 16 3HG2 THR 16 16.817 5.269 19.846 119 2HG2 THR 16 2HG2 THR 16 16.231 3.683 20.347 120 3HG2 THR 16 1HG2 THR 16 17.697 4.348 21.065 121 H GLN 17 HN GLN 17 18.257 1.316 17.093 122 HA GLN 17 HA GLN 17 20.471 2.164 15.583 123 1HB GLN 17 HB2 GLN 17 20.055 -0.121 16.663 124 2HB GLN 17 HB1 GLN 17 19.104 -0.499 15.234 125 1HG GLN 17 HG2 GLN 17 21.893 0.502 14.912 126 2HG GLN 17 HG1 GLN 17 21.617 -1.174 15.382 127 1HE2 GLN 17 1HE2 GLN 17 22.021 0.871 12.814 128 2HE2 GLN 17 2HE2 GLN 17 21.338 -0.108 11.567 129 H VAL 18 HN VAL 18 17.281 0.984 14.568 130 HA VAL 18 HA VAL 18 17.268 0.709 11.950 131 HB VAL 18 HB VAL 18 15.310 2.510 13.380 132 1HG1 VAL 18 1HG1 VAL 18 15.225 1.206 10.675 133 2HG1 VAL 18 3HG1 VAL 18 13.761 1.682 11.533 134 3HG1 VAL 18 2HG1 VAL 18 14.958 2.899 11.090 135 1HG2 VAL 18 3HG2 VAL 18 15.344 -0.464 12.888 136 2HG2 VAL 18 2HG2 VAL 18 15.384 0.368 14.443 137 3HG2 VAL 18 1HG2 VAL 18 13.928 0.427 13.449 138 H LYS 19 HN LYS 19 17.359 3.977 13.392 139 HA LYS 19 HA LYS 19 17.246 5.498 11.098 140 1HB LYS 19 HB2 LYS 19 18.490 5.908 13.777 141 2HB LYS 19 HB1 LYS 19 18.862 7.062 12.504 142 1HG LYS 19 HG2 LYS 19 16.880 8.051 12.687 143 2HG LYS 19 HG1 LYS 19 16.019 6.511 12.681 144 1HD LYS 19 HD2 LYS 19 17.504 7.432 15.118 145 2HD LYS 19 HD1 LYS 19 15.876 8.020 14.777 146 1HE LYS 19 HE2 LYS 19 16.600 5.099 14.909 147 2HE LYS 19 HE1 LYS 19 16.009 6.015 16.292 148 1HZ LYS 19 HZ2 LYS 19 14.029 6.569 14.867 149 2HZ LYS 19 HZ1 LYS 19 14.573 5.396 13.776 150 3HZ LYS 19 HZ3 LYS 19 14.150 4.954 15.353 151 H GLU 20 HN GLU 20 20.201 4.250 12.653 152 HA GLU 20 HA GLU 20 21.983 5.243 10.704 153 1HB GLU 20 HB2 GLU 20 22.298 2.888 12.573 154 2HB GLU 20 HB1 GLU 20 23.602 3.620 11.648 155 1HG GLU 20 HG2 GLU 20 23.941 4.716 13.585 156 2HG GLU 20 HG1 GLU 20 22.721 5.797 12.913 157 H SER 21 HN SER 21 20.032 2.371 10.890 158 HA SER 21 HA SER 21 21.304 0.819 8.911 159 1HB SER 21 HB2 SER 21 19.339 0.271 10.621 160 2HB SER 21 HB1 SER 21 18.338 0.665 9.223 161 HG SER 21 HG SER 21 19.050 -1.068 8.201 162 H LEU 22 HN LEU 22 18.781 3.291 8.733 163 HA LEU 22 HA LEU 22 18.254 2.962 5.953 164 1HB LEU 22 HB2 LEU 22 17.521 4.925 8.058 165 2HB LEU 22 HB1 LEU 22 17.408 5.466 6.395 166 HG LEU 22 HG LEU 22 15.254 4.671 7.153 167 1HD1 LEU 22 3HD1 LEU 22 16.047 4.242 4.796 168 2HD1 LEU 22 2HD1 LEU 22 16.362 2.581 5.299 169 3HD1 LEU 22 1HD1 LEU 22 14.722 3.226 5.364 170 1HD2 LEU 22 2HD2 LEU 22 16.026 3.151 8.903 171 2HD2 LEU 22 1HD2 LEU 22 14.896 2.351 7.812 172 3HD2 LEU 22 3HD2 LEU 22 16.625 2.035 7.676 173 H SER 23 HN SER 23 20.369 5.104 7.827 174 HA SER 23 HA SER 23 21.181 6.789 5.746 175 1HB SER 23 HB2 SER 23 21.647 7.182 8.172 176 2HB SER 23 HB1 SER 23 22.864 5.908 8.103 177 HG SER 23 HG SER 23 24.193 7.265 7.207 178 H SER 24 HN SER 24 22.747 3.840 6.990 179 HA SER 24 HA SER 24 24.797 3.764 5.049 180 1HB SER 24 HB2 SER 24 25.069 1.388 5.757 181 2HB SER 24 HB1 SER 24 25.009 2.508 7.117 182 HG SER 24 HG SER 24 23.149 1.682 7.733 183 H TYR 25 HN TYR 25 21.451 3.008 4.853 184 HA TYR 25 HA TYR 25 21.673 1.143 2.668 185 1HB TYR 25 HB2 TYR 25 19.773 1.091 4.272 186 2HB TYR 25 HB1 TYR 25 19.243 2.653 3.659 187 HD1 TYR 25 HD1 TYR 25 19.570 -0.926 2.887 188 HD2 TYR 25 HD2 TYR 25 18.125 2.840 1.531 189 HE1 TYR 25 HE1 TYR 25 18.259 -2.062 1.145 190 HE2 TYR 25 HE2 TYR 25 16.809 1.714 -0.213 191 HH TYR 25 HH TYR 25 17.251 -0.968 -1.410 192 H TRP 26 HN TRP 26 20.899 4.583 3.058 193 HA TRP 26 HA TRP 26 20.234 5.107 0.372 194 1HB TRP 26 HB2 TRP 26 19.845 6.581 2.441 195 2HB TRP 26 HB1 TRP 26 21.503 7.128 2.211 196 HD1 TRP 26 HD1 TRP 26 21.627 9.312 0.903 197 HE1 TRP 26 HE1 TRP 26 20.229 10.460 -0.928 198 HE3 TRP 26 HE3 TRP 26 18.033 5.732 0.257 199 HZ2 TRP 26 HZ2 TRP 26 17.909 9.921 -2.445 200 HZ3 TRP 26 HZ3 TRP 26 16.261 6.125 -1.404 201 HH2 TRP 26 HH2 TRP 26 16.201 8.177 -2.726 202 H GLU 27 HN GLU 27 23.301 5.118 2.091 203 HA GLU 27 HA GLU 27 25.046 6.377 0.452 204 1HB GLU 27 HB2 GLU 27 25.231 4.082 2.277 205 2HB GLU 27 HB1 GLU 27 26.488 4.120 1.050 206 1HG GLU 27 HG2 GLU 27 27.387 5.257 2.879 207 2HG GLU 27 HG1 GLU 27 26.899 6.521 1.752 208 H SER 28 HN SER 28 24.241 2.923 0.127 209 HA SER 28 HA SER 28 25.322 2.871 -2.568 210 1HB SER 28 HB2 SER 28 24.138 0.729 -0.793 211 2HB SER 28 HB1 SER 28 24.675 0.429 -2.446 212 HG SER 28 HG SER 28 26.709 0.611 -1.838 213 H ALA 29 HN ALA 29 22.309 3.527 -1.127 214 HA ALA 29 HA ALA 29 20.513 2.354 -2.943 215 1HB ALA 29 HB3 ALA 29 19.818 3.347 -0.810 216 2HB ALA 29 HB2 ALA 29 20.174 4.951 -1.450 217 3HB ALA 29 HB1 ALA 29 18.888 3.981 -2.167 218 H LYS 30 HN LYS 30 22.424 5.301 -3.166 219 HA LYS 30 HA LYS 30 21.127 6.616 -5.225 220 1HB LYS 30 HB2 LYS 30 23.214 7.309 -3.853 221 2HB LYS 30 HB1 LYS 30 24.127 6.492 -5.115 222 1HG LYS 30 HG2 LYS 30 23.112 7.973 -6.789 223 2HG LYS 30 HG1 LYS 30 22.237 8.806 -5.503 224 1HD LYS 30 HD2 LYS 30 24.627 9.104 -4.477 225 2HD LYS 30 HD1 LYS 30 25.156 8.822 -6.137 226 1HE LYS 30 HE2 LYS 30 23.755 10.669 -6.904 227 2HE LYS 30 HE1 LYS 30 23.196 10.939 -5.254 228 1HZ LYS 30 HZ2 LYS 30 25.486 11.446 -4.617 229 2HZ LYS 30 HZ1 LYS 30 25.991 11.229 -6.217 230 3HZ LYS 30 HZ3 LYS 30 24.935 12.491 -5.827 231 H THR 31 HN THR 31 23.670 4.142 -5.529 232 HA THR 31 HA THR 31 23.936 4.027 -8.266 233 HB THR 31 HB THR 31 23.840 1.565 -6.515 234 HG1 THR 31 HG1 THR 31 25.933 3.457 -6.798 235 1HG2 THR 31 3HG2 THR 31 25.474 2.240 -8.948 236 2HG2 THR 31 2HG2 THR 31 25.685 0.801 -7.950 237 3HG2 THR 31 1HG2 THR 31 24.181 1.046 -8.837 238 H ALA 32 HN ALA 32 21.443 2.647 -6.204 239 HA ALA 32 HA ALA 32 20.095 1.138 -8.171 240 1HB ALA 32 HB2 ALA 32 18.597 2.417 -5.927 241 2HB ALA 32 HB1 ALA 32 18.448 0.793 -6.600 242 3HB ALA 32 HB3 ALA 32 19.821 1.198 -5.569 243 H ALA 33 HN ALA 33 19.714 4.501 -7.077 244 HA ALA 33 HA ALA 33 17.441 5.241 -8.435 245 1HB ALA 33 HB3 ALA 33 18.822 6.643 -6.846 246 2HB ALA 33 HB2 ALA 33 19.838 7.040 -8.231 247 3HB ALA 33 HB1 ALA 33 18.132 7.488 -8.231 248 H GLN 34 HN GLN 34 20.744 5.686 -9.724 249 HA GLN 34 HA GLN 34 19.838 6.366 -12.313 250 1HB GLN 34 HB2 GLN 34 22.181 5.960 -13.026 251 2HB GLN 34 HB1 GLN 34 22.067 6.999 -11.614 252 1HG GLN 34 HG2 GLN 34 22.315 4.504 -10.507 253 2HG GLN 34 HG1 GLN 34 23.341 4.402 -11.936 254 1HE2 GLN 34 1HE2 GLN 34 25.195 5.638 -12.051 255 2HE2 GLN 34 2HE2 GLN 34 25.834 6.494 -10.692 256 H ASN 35 HN ASN 35 20.620 3.315 -10.759 257 HA ASN 35 HA ASN 35 20.662 1.698 -13.069 258 1HB ASN 35 HB2 ASN 35 21.394 1.065 -10.694 259 2HB ASN 35 HB1 ASN 35 19.691 0.755 -10.375 260 1HD2 ASN 35 1HD2 ASN 35 18.664 -0.972 -11.420 261 2HD2 ASN 35 2HD2 ASN 35 19.564 -2.247 -12.161 262 H LEU 36 HN LEU 36 18.062 3.042 -11.219 263 HA LEU 36 HA LEU 36 15.931 1.417 -12.011 264 1HB LEU 36 HB2 LEU 36 16.020 3.432 -10.336 265 2HB LEU 36 HB1 LEU 36 15.629 4.393 -11.750 266 HG LEU 36 HG LEU 36 13.913 2.035 -11.121 267 1HD1 LEU 36 3HD1 LEU 36 14.150 3.148 -8.969 268 2HD1 LEU 36 2HD1 LEU 36 13.726 4.691 -9.708 269 3HD1 LEU 36 1HD1 LEU 36 12.535 3.393 -9.631 270 1HD2 LEU 36 2HD2 LEU 36 13.436 4.768 -12.301 271 2HD2 LEU 36 1HD2 LEU 36 13.489 3.232 -13.165 272 3HD2 LEU 36 3HD2 LEU 36 12.181 3.560 -12.029 273 H TYR 37 HN TYR 37 17.384 4.291 -13.410 274 HA TYR 37 HA TYR 37 15.775 4.429 -15.739 275 1HB TYR 37 HB2 TYR 37 17.644 6.065 -14.631 276 2HB TYR 37 HB1 TYR 37 18.577 5.360 -15.948 277 HD1 TYR 37 HD1 TYR 37 15.238 6.931 -15.342 278 HD2 TYR 37 HD2 TYR 37 18.514 6.407 -18.006 279 HE1 TYR 37 HE1 TYR 37 14.207 8.519 -16.910 280 HE2 TYR 37 HE2 TYR 37 17.492 7.995 -19.582 281 HH TYR 37 HH TYR 37 15.503 10.134 -19.010 282 H GLU 38 HN GLU 38 18.777 2.781 -14.914 283 HA GLU 38 HA GLU 38 19.532 1.885 -17.455 284 1HB GLU 38 HB2 GLU 38 21.033 1.737 -15.544 285 2HB GLU 38 HB1 GLU 38 19.971 0.573 -14.769 286 1HG GLU 38 HG2 GLU 38 21.065 -0.062 -17.461 287 2HG GLU 38 HG1 GLU 38 22.122 -0.189 -16.057 288 H LYS 39 HN LYS 39 17.867 -0.036 -14.972 289 HA LYS 39 HA LYS 39 17.243 -2.185 -16.657 290 1HB LYS 39 HB2 LYS 39 15.637 -2.846 -14.877 291 2HB LYS 39 HB1 LYS 39 17.251 -2.491 -14.281 292 1HG LYS 39 HG2 LYS 39 16.459 -0.963 -12.890 293 2HG LYS 39 HG1 LYS 39 15.652 -0.116 -14.210 294 1HD LYS 39 HD2 LYS 39 14.437 -2.608 -13.098 295 2HD LYS 39 HD1 LYS 39 14.262 -1.088 -12.218 296 1HE LYS 39 HE2 LYS 39 13.524 -1.455 -15.118 297 2HE LYS 39 HE1 LYS 39 12.383 -1.617 -13.786 298 1HZ LYS 39 HZ3 LYS 39 13.039 0.711 -13.155 299 2HZ LYS 39 HZ2 LYS 39 13.838 0.819 -14.641 300 3HZ LYS 39 HZ1 LYS 39 12.167 0.568 -14.597 301 H THR 40 HN THR 40 15.914 0.921 -16.747 302 HA THR 40 HA THR 40 13.199 0.298 -17.288 303 HB THR 40 HB THR 40 14.885 2.674 -18.096 304 HG1 THR 40 HG1 THR 40 14.556 2.672 -15.924 305 1HG2 THR 40 2HG2 THR 40 11.933 2.243 -18.417 306 2HG2 THR 40 1HG2 THR 40 12.678 3.841 -18.368 307 3HG2 THR 40 3HG2 THR 40 13.110 2.706 -19.646 308 H TYR 41 HN TYR 41 15.900 1.049 -19.448 309 HA TYR 41 HA TYR 41 14.532 0.441 -21.850 310 1HB TYR 41 HB2 TYR 41 17.515 0.437 -21.339 311 2HB TYR 41 HB1 TYR 41 16.732 0.527 -22.913 312 HD1 TYR 41 HD1 TYR 41 15.413 2.573 -23.506 313 HD2 TYR 41 HD2 TYR 41 17.830 2.378 -20.010 314 HE1 TYR 41 HE1 TYR 41 15.371 5.026 -23.347 315 HE2 TYR 41 HE2 TYR 41 17.795 4.831 -19.841 316 HH TYR 41 HH TYR 41 17.331 6.814 -21.929 317 H LEU 42 HN LEU 42 16.557 -1.495 -19.692 318 HA LEU 42 HA LEU 42 16.695 -3.767 -21.418 319 1HB LEU 42 HB2 LEU 42 17.401 -3.213 -18.569 320 2HB LEU 42 HB1 LEU 42 17.310 -4.878 -19.108 321 HG LEU 42 HG LEU 42 19.600 -4.105 -19.199 322 1HD1 LEU 42 2HD1 LEU 42 18.699 -5.650 -20.962 323 2HD1 LEU 42 1HD1 LEU 42 18.575 -4.247 -22.023 324 3HD1 LEU 42 3HD1 LEU 42 20.149 -4.753 -21.411 325 1HD2 LEU 42 2HD2 LEU 42 19.035 -1.690 -19.471 326 2HD2 LEU 42 1HD2 LEU 42 20.324 -2.258 -20.531 327 3HD2 LEU 42 3HD2 LEU 42 18.699 -2.014 -21.172 328 HA PRO 43 HA PRO 43 12.812 -5.626 -20.272 329 1HB PRO 43 HB2 PRO 43 13.002 -7.849 -21.723 330 2HB PRO 43 HB1 PRO 43 12.935 -6.264 -22.501 331 1HG PRO 43 HG2 PRO 43 15.264 -8.069 -22.079 332 2HG PRO 43 HG1 PRO 43 14.915 -6.982 -23.432 333 1HD PRO 43 HD2 PRO 43 16.622 -6.461 -21.241 334 2HD PRO 43 HD1 PRO 43 16.068 -5.294 -22.455 335 H ALA 44 HN ALA 44 15.253 -6.143 -18.480 336 HA ALA 44 HA ALA 44 15.289 -8.867 -17.733 337 1HB ALA 44 HB1 ALA 44 17.001 -7.042 -17.214 338 2HB ALA 44 HB2 ALA 44 16.662 -8.229 -15.955 339 3HB ALA 44 HB3 ALA 44 15.950 -6.618 -15.863 340 H VAL 45 HN VAL 45 12.970 -6.433 -17.142 341 HA VAL 45 HA VAL 45 11.960 -6.857 -14.656 342 HB VAL 45 HB VAL 45 9.684 -6.339 -15.608 343 1HG1 VAL 45 3HG1 VAL 45 11.285 -4.625 -14.832 344 2HG1 VAL 45 2HG1 VAL 45 11.906 -4.497 -16.478 345 3HG1 VAL 45 1HG1 VAL 45 10.236 -4.053 -16.128 346 1HG2 VAL 45 1HG2 VAL 45 11.244 -6.483 -18.172 347 2HG2 VAL 45 3HG2 VAL 45 9.702 -7.239 -17.773 348 3HG2 VAL 45 2HG2 VAL 45 9.790 -5.496 -18.023 349 H ASP 46 HN ASP 46 11.173 -8.800 -17.539 350 HA ASP 46 HA ASP 46 9.401 -10.538 -16.141 351 1HB ASP 46 HB2 ASP 46 9.430 -10.099 -18.642 352 2HB ASP 46 HB1 ASP 46 10.832 -11.161 -18.724 353 H GLU 47 HN GLU 47 12.855 -10.575 -16.805 354 HA GLU 47 HA GLU 47 13.299 -13.306 -16.160 355 1HB GLU 47 HB2 GLU 47 14.833 -11.548 -17.360 356 2HB GLU 47 HB1 GLU 47 15.399 -11.212 -15.732 357 1HG GLU 47 HG2 GLU 47 16.516 -13.024 -17.360 358 2HG GLU 47 HG1 GLU 47 16.571 -13.122 -15.603 359 H LYS 48 HN LYS 48 13.759 -10.336 -14.236 360 HA LYS 48 HA LYS 48 14.666 -11.468 -11.881 361 1HB LYS 48 HB2 LYS 48 13.288 -8.954 -12.607 362 2HB LYS 48 HB1 LYS 48 13.219 -9.405 -10.909 363 1HG LYS 48 HG2 LYS 48 15.109 -8.105 -10.976 364 2HG LYS 48 HG1 LYS 48 15.786 -9.725 -11.157 365 1HD LYS 48 HD2 LYS 48 15.037 -8.207 -13.610 366 2HD LYS 48 HD1 LYS 48 16.508 -7.748 -12.750 367 1HE LYS 48 HE2 LYS 48 16.421 -10.592 -12.989 368 2HE LYS 48 HE1 LYS 48 16.130 -9.879 -14.574 369 1HZ LYS 48 HZ3 LYS 48 18.154 -8.558 -14.285 370 2HZ LYS 48 HZ2 LYS 48 18.442 -9.312 -12.799 371 3HZ LYS 48 HZ1 LYS 48 18.475 -10.218 -14.227 372 H LEU 49 HN LEU 49 11.419 -11.465 -13.167 373 HA LEU 49 HA LEU 49 10.010 -11.999 -10.783 374 1HB LEU 49 HB2 LEU 49 9.443 -12.509 -13.688 375 2HB LEU 49 HB1 LEU 49 8.365 -13.128 -12.452 376 HG LEU 49 HG LEU 49 9.076 -10.215 -12.507 377 1HD1 LEU 49 3HD1 LEU 49 7.239 -11.684 -14.339 378 2HD1 LEU 49 2HD1 LEU 49 6.798 -10.070 -13.780 379 3HD1 LEU 49 1HD1 LEU 49 8.303 -10.316 -14.666 380 1HD2 LEU 49 1HD2 LEU 49 7.925 -11.096 -10.547 381 2HD2 LEU 49 3HD2 LEU 49 6.878 -10.004 -11.453 382 3HD2 LEU 49 2HD2 LEU 49 6.650 -11.749 -11.575 383 H ARG 50 HN ARG 50 10.854 -14.269 -13.404 384 HA ARG 50 HA ARG 50 10.396 -16.597 -11.878 385 1HB ARG 50 HB2 ARG 50 11.918 -16.048 -14.417 386 2HB ARG 50 HB1 ARG 50 11.914 -17.650 -13.691 387 1HG ARG 50 HG2 ARG 50 9.230 -16.685 -13.854 388 2HG ARG 50 HG1 ARG 50 10.012 -16.521 -15.428 389 1HD ARG 50 HD2 ARG 50 10.404 -18.799 -15.613 390 2HD ARG 50 HD1 ARG 50 10.280 -19.064 -13.875 391 HE ARG 50 HE ARG 50 7.796 -18.183 -14.849 392 1HH1 ARG 50 1HH1 ARG 50 9.885 -20.989 -14.992 393 2HH1 ARG 50 2HH1 ARG 50 8.579 -22.102 -15.222 394 1HH2 ARG 50 1HH2 ARG 50 6.080 -19.653 -15.152 395 2HH2 ARG 50 2HH2 ARG 50 6.419 -21.344 -15.314 396 H ASP 51 HN ASP 51 13.203 -14.529 -12.329 397 HA ASP 51 HA ASP 51 15.225 -16.184 -11.353 398 1HB ASP 51 HB2 ASP 51 14.833 -13.217 -11.428 399 2HB ASP 51 HB1 ASP 51 16.178 -13.874 -10.505 400 H LEU 52 HN LEU 52 13.432 -13.705 -9.518 401 HA LEU 52 HA LEU 52 14.388 -14.602 -6.994 402 1HB LEU 52 HB2 LEU 52 12.360 -12.628 -7.925 403 2HB LEU 52 HB1 LEU 52 12.315 -13.139 -6.248 404 HG LEU 52 HG LEU 52 14.854 -12.508 -6.267 405 1HD1 LEU 52 3HD1 LEU 52 14.963 -12.131 -8.694 406 2HD1 LEU 52 2HD1 LEU 52 13.814 -10.803 -8.526 407 3HD1 LEU 52 1HD1 LEU 52 15.405 -10.695 -7.772 408 1HD2 LEU 52 2HD2 LEU 52 13.145 -11.408 -4.918 409 2HD2 LEU 52 1HD2 LEU 52 14.276 -10.233 -5.587 410 3HD2 LEU 52 3HD2 LEU 52 12.675 -10.422 -6.302 411 H TYR 53 HN TYR 53 11.856 -15.723 -9.026 412 HA TYR 53 HA TYR 53 10.067 -16.684 -7.051 413 1HB TYR 53 HB2 TYR 53 10.365 -16.883 -9.944 414 2HB TYR 53 HB1 TYR 53 9.788 -18.386 -9.234 415 HD1 TYR 53 HD1 TYR 53 7.517 -18.555 -9.629 416 HD2 TYR 53 HD2 TYR 53 9.105 -14.804 -8.396 417 HE1 TYR 53 HE1 TYR 53 5.242 -17.632 -9.523 418 HE2 TYR 53 HE2 TYR 53 6.833 -13.871 -8.285 419 HH TYR 53 HH TYR 53 4.267 -15.308 -7.957 420 H SER 54 HN SER 54 12.717 -18.255 -8.847 421 HA SER 54 HA SER 54 12.435 -20.808 -7.708 422 1HB SER 54 HB2 SER 54 14.797 -21.165 -8.425 423 2HB SER 54 HB1 SER 54 13.786 -20.486 -9.700 424 HG SER 54 HG SER 54 14.858 -18.642 -9.596 425 H LYS 55 HN LYS 55 14.524 -18.079 -6.768 426 HA LYS 55 HA LYS 55 15.740 -19.325 -4.559 427 1HB LYS 55 HB2 LYS 55 15.259 -16.432 -5.254 428 2HB LYS 55 HB1 LYS 55 16.096 -16.907 -3.782 429 1HG LYS 55 HG2 LYS 55 17.881 -17.866 -4.987 430 2HG LYS 55 HG1 LYS 55 16.984 -17.811 -6.505 431 1HD LYS 55 HD2 LYS 55 17.605 -15.292 -5.004 432 2HD LYS 55 HD1 LYS 55 18.812 -16.032 -6.057 433 1HE LYS 55 HE2 LYS 55 17.563 -15.663 -7.968 434 2HE LYS 55 HE1 LYS 55 16.047 -15.553 -7.077 435 1HZ LYS 55 HZ1 LYS 55 16.796 -13.419 -6.179 436 2HZ LYS 55 HZ3 LYS 55 18.212 -13.521 -7.100 437 3HZ LYS 55 HZ2 LYS 55 16.712 -13.391 -7.869 438 H SER 56 HN SER 56 12.849 -17.272 -4.781 439 HA SER 56 HA SER 56 12.278 -17.149 -2.036 440 1HB SER 56 HB2 SER 56 10.598 -16.783 -4.501 441 2HB SER 56 HB1 SER 56 9.883 -16.684 -2.893 442 HG SER 56 HG SER 56 11.687 -14.973 -4.154 443 H THR 57 HN THR 57 11.108 -19.474 -4.499 444 HA THR 57 HA THR 57 9.265 -20.793 -2.882 445 HB THR 57 HB THR 57 9.730 -22.788 -4.426 446 HG1 THR 57 HG1 THR 57 11.726 -22.451 -5.189 447 1HG2 THR 57 1HG2 THR 57 8.930 -20.109 -5.509 448 2HG2 THR 57 3HG2 THR 57 8.870 -21.588 -6.468 449 3HG2 THR 57 2HG2 THR 57 7.895 -21.445 -5.006 450 H ALA 58 HN ALA 58 12.755 -21.162 -3.051 451 HA ALA 58 HA ALA 58 12.705 -23.509 -1.336 452 1HB ALA 58 HB2 ALA 58 15.158 -23.438 -1.547 453 2HB ALA 58 HB1 ALA 58 14.347 -23.447 -3.114 454 3HB ALA 58 HB3 ALA 58 15.018 -21.945 -2.478 455 H ALA 59 HN ALA 59 14.051 -20.209 -1.174 456 HA ALA 59 HA ALA 59 14.879 -20.330 1.513 457 1HB ALA 59 HB3 ALA 59 15.016 -17.881 1.388 458 2HB ALA 59 HB1 ALA 59 14.150 -17.921 -0.148 459 3HB ALA 59 HB2 ALA 59 15.746 -18.661 -0.016 460 H MET 60 HN MET 60 12.036 -18.647 0.155 461 HA MET 60 HA MET 60 10.878 -17.990 2.622 462 1HB MET 60 HB2 MET 60 10.365 -17.311 0.063 463 2HB MET 60 HB1 MET 60 9.040 -18.431 0.348 464 1HG MET 60 HG2 MET 60 8.320 -17.124 2.261 465 2HG MET 60 HG1 MET 60 9.677 -16.023 2.039 466 1HE MET 60 HE1 MET 60 9.951 -15.421 -0.915 467 2HE MET 60 HE3 MET 60 8.808 -14.105 -1.184 468 3HE MET 60 HE2 MET 60 9.793 -14.134 0.279 469 H SER 61 HN SER 61 11.079 -21.071 1.164 470 HA SER 61 HA SER 61 8.598 -22.161 1.992 471 1HB SER 61 HB2 SER 61 10.925 -23.096 0.652 472 2HB SER 61 HB1 SER 61 10.624 -24.184 2.006 473 HG SER 61 HG SER 61 9.203 -23.829 -0.308 474 H THR 62 HN THR 62 11.438 -21.329 3.734 475 HA THR 62 HA THR 62 10.660 -22.988 6.025 476 HB THR 62 HB THR 62 12.879 -22.316 6.965 477 HG1 THR 62 HG1 THR 62 13.640 -20.580 6.041 478 1HG2 THR 62 2HG2 THR 62 12.673 -24.407 5.682 479 2HG2 THR 62 1HG2 THR 62 13.123 -23.524 4.223 480 3HG2 THR 62 3HG2 THR 62 14.270 -23.668 5.555 481 H TYR 63 HN TYR 63 11.526 -19.636 5.193 482 HA TYR 63 HA TYR 63 10.885 -18.511 7.683 483 1HB TYR 63 HB2 TYR 63 10.856 -17.126 4.996 484 2HB TYR 63 HB1 TYR 63 11.041 -16.369 6.574 485 HD1 TYR 63 HD1 TYR 63 12.774 -17.310 3.742 486 HD2 TYR 63 HD2 TYR 63 13.089 -17.486 7.981 487 HE1 TYR 63 HE1 TYR 63 15.215 -17.525 3.546 488 HE2 TYR 63 HE2 TYR 63 15.531 -17.701 7.797 489 HH TYR 63 HH TYR 63 17.126 -18.676 5.517 490 H THR 64 HN THR 64 8.881 -19.644 5.111 491 HA THR 64 HA THR 64 6.682 -17.899 5.595 492 HB THR 64 HB THR 64 7.024 -20.480 4.118 493 HG1 THR 64 HG1 THR 64 7.177 -19.034 2.622 494 1HG2 THR 64 3HG2 THR 64 4.375 -19.292 4.873 495 2HG2 THR 64 2HG2 THR 64 4.599 -20.286 3.433 496 3HG2 THR 64 1HG2 THR 64 4.916 -20.963 5.031 497 H GLY 65 HN GLY 65 7.224 -21.301 6.486 498 1HA GLY 65 HA1 GLY 65 6.404 -22.534 8.248 499 2HA GLY 65 HA2 GLY 65 5.022 -21.441 8.263 500 H ILE 66 HN ILE 66 8.419 -20.586 8.665 501 HA ILE 66 HA ILE 66 8.445 -20.428 11.489 502 HB ILE 66 HB ILE 66 10.182 -19.090 9.413 503 1HG1 ILE 66 2HG1 ILE 66 10.967 -21.240 11.370 504 2HG1 ILE 66 1HG1 ILE 66 10.197 -21.642 9.839 505 1HG2 ILE 66 3HG2 ILE 66 10.297 -18.939 12.408 506 2HG2 ILE 66 2HG2 ILE 66 11.741 -18.734 11.416 507 3HG2 ILE 66 1HG2 ILE 66 10.378 -17.630 11.228 508 1HD1 ILE 66 1HD1 ILE 66 12.113 -20.135 8.860 509 2HD1 ILE 66 3HD1 ILE 66 12.908 -20.562 10.375 510 3HD1 ILE 66 2HD1 ILE 66 12.390 -21.830 9.264 511 H PHE 67 HN PHE 67 8.324 -17.801 9.071 512 HA PHE 67 HA PHE 67 7.882 -15.668 10.773 513 1HB PHE 67 HB2 PHE 67 8.318 -15.371 8.385 514 2HB PHE 67 HB1 PHE 67 6.746 -16.058 7.995 515 HD1 PHE 67 HD1 PHE 67 4.785 -14.742 8.048 516 HD2 PHE 67 HD2 PHE 67 8.449 -13.175 9.547 517 HE1 PHE 67 HE1 PHE 67 3.777 -12.501 8.160 518 HE2 PHE 67 HE2 PHE 67 7.446 -10.932 9.662 519 HZ PHE 67 HZ PHE 67 5.107 -10.592 8.968 520 H THR 68 HN THR 68 5.383 -17.583 9.103 521 HA THR 68 HA THR 68 3.198 -16.342 10.370 522 HB THR 68 HB THR 68 3.289 -19.121 9.191 523 HG1 THR 68 HG1 THR 68 2.852 -16.607 7.956 524 1HG2 THR 68 3HG2 THR 68 1.021 -17.224 9.704 525 2HG2 THR 68 2HG2 THR 68 0.914 -18.573 8.572 526 3HG2 THR 68 1HG2 THR 68 1.217 -18.879 10.282 527 H ASP 69 HN ASP 69 5.367 -18.800 11.427 528 HA ASP 69 HA ASP 69 3.782 -20.159 13.294 529 1HB ASP 69 HB2 ASP 69 6.486 -20.172 12.585 530 2HB ASP 69 HB1 ASP 69 6.480 -19.735 14.290 531 H GLN 70 HN GLN 70 5.884 -17.327 13.800 532 HA GLN 70 HA GLN 70 5.049 -16.899 16.486 533 1HB GLN 70 HB2 GLN 70 6.473 -15.114 14.509 534 2HB GLN 70 HB1 GLN 70 6.162 -14.653 16.176 535 1HG GLN 70 HG2 GLN 70 8.301 -15.444 16.326 536 2HG GLN 70 HG1 GLN 70 7.379 -16.891 16.728 537 1HE2 GLN 70 1HE2 GLN 70 8.713 -15.215 13.887 538 2HE2 GLN 70 2HE2 GLN 70 9.239 -16.649 13.081 539 H VAL 71 HN VAL 71 3.816 -15.899 13.395 540 HA VAL 71 HA VAL 71 2.236 -13.706 14.276 541 HB VAL 71 HB VAL 71 1.881 -15.490 11.852 542 1HG1 VAL 71 1HG1 VAL 71 0.540 -12.917 12.645 543 2HG1 VAL 71 3HG1 VAL 71 0.584 -13.496 10.980 544 3HG1 VAL 71 2HG1 VAL 71 -0.210 -14.457 12.228 545 1HG2 VAL 71 1HG2 VAL 71 3.985 -13.915 12.272 546 2HG2 VAL 71 3HG2 VAL 71 3.264 -14.119 10.676 547 3HG2 VAL 71 2HG2 VAL 71 2.869 -12.701 11.648 548 H LEU 72 HN LEU 72 1.471 -17.076 13.490 549 HA LEU 72 HA LEU 72 -1.201 -17.084 14.322 550 1HB LEU 72 HB2 LEU 72 0.014 -18.885 13.012 551 2HB LEU 72 HB1 LEU 72 0.710 -19.412 14.533 552 HG LEU 72 HG LEU 72 -2.222 -19.197 14.560 553 1HD1 LEU 72 2HD1 LEU 72 -1.919 -19.974 12.271 554 2HD1 LEU 72 1HD1 LEU 72 -0.874 -21.275 12.841 555 3HD1 LEU 72 3HD1 LEU 72 -2.579 -21.252 13.291 556 1HD2 LEU 72 3HD2 LEU 72 -0.275 -21.369 15.331 557 2HD2 LEU 72 2HD2 LEU 72 -0.945 -20.143 16.407 558 3HD2 LEU 72 1HD2 LEU 72 -2.002 -21.358 15.689 559 H SER 73 HN SER 73 1.837 -17.413 16.043 560 HA SER 73 HA SER 73 0.877 -18.346 18.497 561 1HB SER 73 HB2 SER 73 3.328 -17.978 17.670 562 2HB SER 73 HB1 SER 73 3.135 -16.371 18.371 563 HG SER 73 HG SER 73 3.956 -17.686 19.954 564 H VAL 74 HN VAL 74 1.082 -15.056 17.226 565 HA VAL 74 HA VAL 74 0.220 -13.834 19.666 566 HB VAL 74 HB VAL 74 0.126 -11.779 18.536 567 1HG1 VAL 74 2HG1 VAL 74 2.376 -13.196 18.521 568 2HG1 VAL 74 1HG1 VAL 74 2.192 -12.966 16.781 569 3HG1 VAL 74 3HG1 VAL 74 2.274 -11.567 17.852 570 1HG2 VAL 74 3HG2 VAL 74 -0.963 -13.260 16.395 571 2HG2 VAL 74 2HG2 VAL 74 -0.820 -11.510 16.548 572 3HG2 VAL 74 1HG2 VAL 74 0.467 -12.435 15.777 573 H LEU 75 HN LEU 75 -1.405 -15.561 17.212 574 HA LEU 75 HA LEU 75 -3.934 -14.298 17.278 575 1HB LEU 75 HB2 LEU 75 -3.038 -16.044 15.612 576 2HB LEU 75 HB1 LEU 75 -3.527 -17.235 16.802 577 HG LEU 75 HG LEU 75 -5.809 -15.744 16.547 578 1HD1 LEU 75 2HD1 LEU 75 -4.854 -14.457 14.701 579 2HD1 LEU 75 1HD1 LEU 75 -4.556 -15.951 13.812 580 3HD1 LEU 75 3HD1 LEU 75 -6.210 -15.449 14.165 581 1HD2 LEU 75 2HD2 LEU 75 -4.980 -18.195 14.997 582 2HD2 LEU 75 1HD2 LEU 75 -5.699 -18.163 16.606 583 3HD2 LEU 75 3HD2 LEU 75 -6.639 -17.637 15.210 584 H LYS 76 HN LYS 76 -2.445 -16.819 19.179 585 HA LYS 76 HA LYS 76 -4.770 -17.497 20.687 586 1HB LYS 76 HB2 LYS 76 -1.836 -18.056 20.980 587 2HB LYS 76 HB1 LYS 76 -2.946 -18.461 22.282 588 1HG LYS 76 HG2 LYS 76 -2.883 -20.436 21.134 589 2HG LYS 76 HG1 LYS 76 -4.277 -19.663 20.379 590 1HD LYS 76 HD2 LYS 76 -1.746 -18.976 19.097 591 2HD LYS 76 HD1 LYS 76 -2.096 -20.706 19.060 592 1HE LYS 76 HE2 LYS 76 -4.223 -18.740 18.320 593 2HE LYS 76 HE1 LYS 76 -2.965 -19.148 17.154 594 1HZ LYS 76 HZ2 LYS 76 -3.577 -21.490 17.403 595 2HZ LYS 76 HZ1 LYS 76 -4.819 -21.061 18.470 596 3HZ LYS 76 HZ3 LYS 76 -4.879 -20.561 16.855 597 H GLY 77 HN GLY 77 -2.028 -15.313 21.225 598 1HA GLY 77 HA1 GLY 77 -1.657 -13.681 22.795 599 2HA GLY 77 HA2 GLY 77 -2.665 -14.613 23.890 600 H GLU 78 HN GLU 78 -3.306 -12.861 20.840 601 HA GLU 78 HA GLU 78 -5.020 -10.985 22.243 602 1HB GLU 78 HB2 GLU 78 -4.239 -11.209 19.331 603 2HB GLU 78 HB1 GLU 78 -5.280 -9.948 19.978 604 1HG GLU 78 HG2 GLU 78 -3.370 -8.795 20.131 605 2HG GLU 78 HG1 GLU 78 -3.159 -9.709 21.623 606 H GLU 79 HN GLU 79 -5.507 -12.893 19.260 607 HA GLU 79 HA GLU 79 -7.248 -14.148 18.518 608 1HB GLU 79 HB2 GLU 79 -7.307 -14.742 21.113 609 2HB GLU 79 HB1 GLU 79 -8.827 -13.863 21.029 610 1HG GLU 79 HG2 GLU 79 -9.343 -16.143 20.731 611 2HG GLU 79 HG1 GLU 79 -9.491 -15.382 19.148 No H/Q in entry = 611 Start of MODEL 15 1 H1 THR 1 HT2 THR 1 31.430 6.546 11.570 2 H2 THR 1 HT1 THR 1 31.850 6.285 9.926 3 H3 THR 1 HT3 THR 1 32.552 7.586 10.794 4 HA THR 1 HA THR 1 30.555 8.732 10.916 5 HB THR 1 HB THR 1 30.827 7.537 8.146 6 HG1 THR 1 HG1 THR 1 32.773 8.322 8.389 7 1HG2 THR 1 2HG2 THR 1 29.763 10.190 9.075 8 2HG2 THR 1 1HG2 THR 1 30.199 9.828 7.404 9 3HG2 THR 1 3HG2 THR 1 28.900 8.930 8.192 10 H GLN 2 HN GLN 2 29.915 5.742 9.053 11 HA GLN 2 HA GLN 2 27.084 5.925 9.466 12 1HB GLN 2 HB2 GLN 2 28.662 3.531 8.508 13 2HB GLN 2 HB1 GLN 2 26.945 3.828 8.276 14 1HG GLN 2 HG2 GLN 2 28.450 6.022 7.218 15 2HG GLN 2 HG1 GLN 2 29.070 4.506 6.570 16 1HE2 GLN 2 1HE2 GLN 2 26.153 6.441 6.985 17 2HE2 GLN 2 2HE2 GLN 2 25.312 5.792 5.623 18 H GLN 3 HN GLN 3 29.697 3.934 10.803 19 HA GLN 3 HA GLN 3 27.883 3.136 12.984 20 1HB GLN 3 HB2 GLN 3 29.898 1.518 11.453 21 2HB GLN 3 HB1 GLN 3 29.481 1.080 13.103 22 1HG GLN 3 HG2 GLN 3 27.523 1.336 10.830 23 2HG GLN 3 HG1 GLN 3 28.202 -0.177 11.429 24 1HE2 GLN 3 1HE2 GLN 3 25.828 2.250 11.876 25 2HE2 GLN 3 2HE2 GLN 3 25.072 1.571 13.273 26 HA PRO 4 HA PRO 4 30.825 4.711 15.861 27 1HB PRO 4 HB2 PRO 4 30.806 2.882 17.868 28 2HB PRO 4 HB1 PRO 4 29.458 3.982 17.559 29 1HG PRO 4 HG2 PRO 4 29.782 1.114 16.765 30 2HG PRO 4 HG1 PRO 4 28.356 1.940 17.421 31 1HD PRO 4 HD2 PRO 4 28.649 1.409 14.782 32 2HD PRO 4 HD1 PRO 4 27.778 2.835 15.379 33 H GLN 5 HN GLN 5 32.597 4.348 14.303 34 HA GLN 5 HA GLN 5 34.211 1.996 14.466 35 1HB GLN 5 HB2 GLN 5 34.564 4.701 13.204 36 2HB GLN 5 HB1 GLN 5 35.907 3.569 13.276 37 1HG GLN 5 HG2 GLN 5 35.159 2.584 11.449 38 2HG GLN 5 HG1 GLN 5 33.683 2.138 12.302 39 1HE2 GLN 5 1HE2 GLN 5 32.030 2.568 11.013 40 2HE2 GLN 5 2HE2 GLN 5 31.794 4.031 10.125 41 H GLN 6 HN GLN 6 34.998 5.371 15.364 42 HA GLN 6 HA GLN 6 37.203 4.617 16.987 43 1HB GLN 6 HB2 GLN 6 37.226 6.960 17.719 44 2HB GLN 6 HB1 GLN 6 37.083 6.832 15.973 45 1HG GLN 6 HG2 GLN 6 35.429 8.304 16.176 46 2HG GLN 6 HG1 GLN 6 34.465 6.947 16.754 47 1HE2 GLN 6 1HE2 GLN 6 36.639 9.515 17.858 48 2HE2 GLN 6 2HE2 GLN 6 35.878 9.739 19.392 49 H ASP 7 HN ASP 7 33.804 5.248 17.649 50 HA ASP 7 HA ASP 7 34.035 5.268 20.488 51 1HB ASP 7 HB2 ASP 7 32.135 6.265 19.168 52 2HB ASP 7 HB1 ASP 7 31.575 4.627 18.848 53 H GLU 8 HN GLU 8 33.131 3.646 21.938 54 HA GLU 8 HA GLU 8 34.122 1.038 21.368 55 1HB GLU 8 HB2 GLU 8 33.165 0.439 23.582 56 2HB GLU 8 HB1 GLU 8 34.190 1.865 23.636 57 1HG GLU 8 HG2 GLU 8 32.421 2.505 24.948 58 2HG GLU 8 HG1 GLU 8 31.957 3.166 23.384 59 H MET 9 HN MET 9 32.735 -0.952 21.762 60 HA MET 9 HA MET 9 30.648 -1.009 19.836 61 1HB MET 9 HB2 MET 9 32.282 -2.896 20.856 62 2HB MET 9 HB1 MET 9 30.833 -3.227 21.794 63 1HG MET 9 HG2 MET 9 30.488 -2.903 18.878 64 2HG MET 9 HG1 MET 9 31.335 -4.348 19.430 65 1HE MET 9 HE2 MET 9 28.497 -3.565 17.926 66 2HE MET 9 HE1 MET 9 27.079 -4.174 18.780 67 3HE MET 9 HE3 MET 9 27.740 -2.590 19.186 68 HA PRO 10 HA PRO 10 27.505 0.332 22.781 69 1HB PRO 10 HB2 PRO 10 25.571 0.818 20.975 70 2HB PRO 10 HB1 PRO 10 26.949 1.906 21.184 71 1HG PRO 10 HG2 PRO 10 26.496 -0.201 19.105 72 2HG PRO 10 HG1 PRO 10 27.129 1.443 18.910 73 1HD PRO 10 HD2 PRO 10 28.715 -0.776 19.026 74 2HD PRO 10 HD1 PRO 10 29.247 0.834 19.544 75 H SER 11 HN SER 11 25.004 -0.232 22.863 76 HA SER 11 HA SER 11 24.843 -3.063 23.214 77 1HB SER 11 HB2 SER 11 22.539 -2.624 23.975 78 2HB SER 11 HB1 SER 11 23.687 -1.522 24.737 79 HG SER 11 HG SER 11 21.708 -1.009 22.836 80 HA PRO 12 HA PRO 12 23.097 -4.210 19.315 81 1HB PRO 12 HB2 PRO 12 21.798 -6.475 19.952 82 2HB PRO 12 HB1 PRO 12 23.560 -6.364 20.019 83 1HG PRO 12 HG2 PRO 12 21.565 -6.200 22.244 84 2HG PRO 12 HG1 PRO 12 23.121 -7.049 22.195 85 1HD PRO 12 HD2 PRO 12 22.747 -4.600 23.372 86 2HD PRO 12 HD1 PRO 12 24.302 -5.164 22.729 87 H THR 13 HN THR 13 21.671 -2.110 19.945 88 HA THR 13 HA THR 13 18.922 -2.590 20.538 89 HB THR 13 HB THR 13 19.827 -0.129 19.091 90 HG1 THR 13 HG1 THR 13 21.323 0.147 20.528 91 1HG2 THR 13 1HG2 THR 13 17.837 -0.750 21.230 92 2HG2 THR 13 3HG2 THR 13 18.441 0.889 20.995 93 3HG2 THR 13 2HG2 THR 13 17.600 0.061 19.683 94 H PHE 14 HN PHE 14 17.116 -2.266 19.118 95 HA PHE 14 HA PHE 14 17.715 -3.020 16.333 96 1HB PHE 14 HB2 PHE 14 16.457 -4.709 17.667 97 2HB PHE 14 HB1 PHE 14 15.168 -3.530 17.889 98 HD1 PHE 14 HD1 PHE 14 13.579 -3.105 16.184 99 HD2 PHE 14 HD2 PHE 14 16.935 -5.605 15.409 100 HE1 PHE 14 HE1 PHE 14 12.545 -3.833 14.074 101 HE2 PHE 14 HE2 PHE 14 15.906 -6.338 13.297 102 HZ PHE 14 HZ PHE 14 13.708 -5.452 12.628 103 H LEU 15 HN LEU 15 15.157 -1.358 18.203 104 HA LEU 15 HA LEU 15 14.111 0.076 16.021 105 1HB LEU 15 HB2 LEU 15 13.931 0.375 18.993 106 2HB LEU 15 HB1 LEU 15 13.281 1.630 17.957 107 HG LEU 15 HG LEU 15 12.021 -0.374 16.815 108 1HD1 LEU 15 3HD1 LEU 15 12.669 -1.458 19.551 109 2HD1 LEU 15 2HD1 LEU 15 11.385 -2.079 18.512 110 3HD1 LEU 15 1HD1 LEU 15 13.067 -2.177 17.990 111 1HD2 LEU 15 3HD2 LEU 15 10.950 1.505 17.944 112 2HD2 LEU 15 2HD2 LEU 15 10.141 -0.013 18.332 113 3HD2 LEU 15 1HD2 LEU 15 11.225 0.733 19.506 114 H THR 16 HN THR 16 16.226 1.229 18.667 115 HA THR 16 HA THR 16 16.667 3.797 17.657 116 HB THR 16 HB THR 16 18.554 2.120 19.325 117 HG1 THR 16 HG1 THR 16 16.825 2.270 20.572 118 1HG2 THR 16 1HG2 THR 16 18.400 5.085 18.883 119 2HG2 THR 16 3HG2 THR 16 19.229 4.349 20.255 120 3HG2 THR 16 2HG2 THR 16 19.774 4.012 18.612 121 H GLN 17 HN GLN 17 18.310 0.750 16.961 122 HA GLN 17 HA GLN 17 20.514 1.781 15.560 123 1HB GLN 17 HB2 GLN 17 19.976 -0.643 16.385 124 2HB GLN 17 HB1 GLN 17 19.257 -0.828 14.793 125 1HG GLN 17 HG2 GLN 17 22.072 0.140 15.171 126 2HG GLN 17 HG1 GLN 17 21.666 -1.573 15.086 127 1HE2 GLN 17 1HE2 GLN 17 20.152 -2.064 13.139 128 2HE2 GLN 17 2HE2 GLN 17 20.660 -1.383 11.635 129 H VAL 18 HN VAL 18 17.294 0.801 14.438 130 HA VAL 18 HA VAL 18 17.276 0.742 11.804 131 HB VAL 18 HB VAL 18 15.415 2.471 13.436 132 1HG1 VAL 18 3HG1 VAL 18 15.295 1.635 10.553 133 2HG1 VAL 18 2HG1 VAL 18 13.842 2.033 11.468 134 3HG1 VAL 18 1HG1 VAL 18 15.103 3.245 11.246 135 1HG2 VAL 18 2HG2 VAL 18 15.479 -0.416 12.668 136 2HG2 VAL 18 1HG2 VAL 18 15.095 0.328 14.220 137 3HG2 VAL 18 3HG2 VAL 18 13.927 0.387 12.901 138 H LYS 19 HN LYS 19 17.604 3.853 13.525 139 HA LYS 19 HA LYS 19 17.562 5.582 11.382 140 1HB LYS 19 HB2 LYS 19 19.009 5.679 14.011 141 2HB LYS 19 HB1 LYS 19 19.200 6.973 12.837 142 1HG LYS 19 HG2 LYS 19 17.387 7.912 13.692 143 2HG LYS 19 HG1 LYS 19 16.448 6.579 13.021 144 1HD LYS 19 HD2 LYS 19 17.800 5.998 15.570 145 2HD LYS 19 HD1 LYS 19 16.537 7.225 15.656 146 1HE LYS 19 HE2 LYS 19 15.918 4.744 14.154 147 2HE LYS 19 HE1 LYS 19 16.038 4.615 15.909 148 1HZ LYS 19 HZ1 LYS 19 14.388 6.372 16.112 149 2HZ LYS 19 HZ3 LYS 19 14.271 6.488 14.428 150 3HZ LYS 19 HZ2 LYS 19 13.775 5.076 15.215 151 H GLU 20 HN GLU 20 20.487 4.091 12.792 152 HA GLU 20 HA GLU 20 22.252 5.086 10.824 153 1HB GLU 20 HB2 GLU 20 22.615 2.565 12.449 154 2HB GLU 20 HB1 GLU 20 23.878 3.521 11.691 155 1HG GLU 20 HG2 GLU 20 24.121 4.409 13.723 156 2HG GLU 20 HG1 GLU 20 22.713 5.377 13.287 157 H SER 21 HN SER 21 20.181 2.300 10.973 158 HA SER 21 HA SER 21 21.311 0.770 8.891 159 1HB SER 21 HB2 SER 21 19.391 0.236 10.650 160 2HB SER 21 HB1 SER 21 18.353 0.741 9.317 161 HG SER 21 HG SER 21 18.952 -0.966 8.177 162 H LEU 22 HN LEU 22 18.819 3.290 8.904 163 HA LEU 22 HA LEU 22 18.258 3.130 6.117 164 1HB LEU 22 HB2 LEU 22 17.160 4.436 8.328 165 2HB LEU 22 HB1 LEU 22 17.719 5.729 7.287 166 HG LEU 22 HG LEU 22 15.391 5.232 6.832 167 1HD1 LEU 22 2HD1 LEU 22 16.933 5.887 4.976 168 2HD1 LEU 22 1HD1 LEU 22 17.058 4.179 4.557 169 3HD1 LEU 22 3HD1 LEU 22 15.498 4.998 4.463 170 1HD2 LEU 22 1HD2 LEU 22 15.506 2.851 7.580 171 2HD2 LEU 22 3HD2 LEU 22 14.621 3.101 6.075 172 3HD2 LEU 22 2HD2 LEU 22 16.264 2.460 6.037 173 H SER 23 HN SER 23 20.500 5.018 8.080 174 HA SER 23 HA SER 23 21.257 6.917 6.169 175 1HB SER 23 HB2 SER 23 22.951 5.691 8.361 176 2HB SER 23 HB1 SER 23 23.324 7.179 7.491 177 HG SER 23 HG SER 23 21.443 6.698 9.477 178 H SER 24 HN SER 24 22.849 3.839 7.001 179 HA SER 24 HA SER 24 24.708 3.908 4.876 180 1HB SER 24 HB2 SER 24 24.904 1.417 5.345 181 2HB SER 24 HB1 SER 24 25.193 2.479 6.723 182 HG SER 24 HG SER 24 22.961 0.852 6.171 183 H TYR 25 HN TYR 25 21.347 3.243 4.923 184 HA TYR 25 HA TYR 25 21.225 1.440 2.723 185 1HB TYR 25 HB2 TYR 25 19.435 2.100 4.579 186 2HB TYR 25 HB1 TYR 25 18.929 3.243 3.340 187 HD1 TYR 25 HD1 TYR 25 18.888 -0.196 4.420 188 HD2 TYR 25 HD2 TYR 25 18.231 2.371 1.091 189 HE1 TYR 25 HE1 TYR 25 17.610 -1.977 3.308 190 HE2 TYR 25 HE2 TYR 25 16.949 0.598 -0.030 191 HH TYR 25 HH TYR 25 17.077 -2.332 0.417 192 H TRP 26 HN TRP 26 20.270 4.893 2.928 193 HA TRP 26 HA TRP 26 20.038 5.224 0.138 194 1HB TRP 26 HB2 TRP 26 19.827 7.578 0.561 195 2HB TRP 26 HB1 TRP 26 18.994 6.721 1.850 196 HD1 TRP 26 HD1 TRP 26 19.775 7.177 4.293 197 HE1 TRP 26 HE1 TRP 26 21.546 8.712 5.352 198 HE3 TRP 26 HE3 TRP 26 22.275 8.586 0.059 199 HZ2 TRP 26 HZ2 TRP 26 23.715 10.307 4.510 200 HZ3 TRP 26 HZ3 TRP 26 24.186 10.119 0.275 201 HH2 TRP 26 HH2 TRP 26 24.889 10.962 2.455 202 H GLU 27 HN GLU 27 22.743 5.490 2.315 203 HA GLU 27 HA GLU 27 24.612 6.989 1.068 204 1HB GLU 27 HB2 GLU 27 24.956 5.713 3.174 205 2HB GLU 27 HB1 GLU 27 25.140 4.244 2.226 206 1HG GLU 27 HG2 GLU 27 26.897 6.473 1.456 207 2HG GLU 27 HG1 GLU 27 27.185 5.790 3.056 208 H SER 28 HN SER 28 24.155 3.519 0.397 209 HA SER 28 HA SER 28 25.593 3.828 -2.129 210 1HB SER 28 HB2 SER 28 24.671 1.371 -0.623 211 2HB SER 28 HB1 SER 28 25.484 1.322 -2.186 212 HG SER 28 HG SER 28 27.324 2.000 -1.274 213 H ALA 29 HN ALA 29 22.405 3.926 -1.031 214 HA ALA 29 HA ALA 29 21.008 2.492 -3.002 215 1HB ALA 29 HB3 ALA 29 19.993 3.388 -0.934 216 2HB ALA 29 HB2 ALA 29 20.090 5.008 -1.626 217 3HB ALA 29 HB1 ALA 29 19.075 3.783 -2.387 218 H LYS 30 HN LYS 30 22.705 5.508 -3.235 219 HA LYS 30 HA LYS 30 21.345 6.814 -5.250 220 1HB LYS 30 HB2 LYS 30 23.410 7.580 -3.945 221 2HB LYS 30 HB1 LYS 30 24.353 6.708 -5.145 222 1HG LYS 30 HG2 LYS 30 22.484 8.381 -6.496 223 2HG LYS 30 HG1 LYS 30 23.334 9.338 -5.280 224 1HD LYS 30 HD2 LYS 30 25.439 8.090 -6.274 225 2HD LYS 30 HD1 LYS 30 24.392 7.937 -7.687 226 1HE LYS 30 HE2 LYS 30 25.481 9.931 -8.107 227 2HE LYS 30 HE1 LYS 30 23.989 10.479 -7.343 228 1HZ LYS 30 HZ3 LYS 30 26.585 10.117 -5.943 229 2HZ LYS 30 HZ2 LYS 30 25.960 11.601 -6.461 230 3HZ LYS 30 HZ1 LYS 30 25.157 10.719 -5.261 231 H THR 31 HN THR 31 23.937 4.406 -5.669 232 HA THR 31 HA THR 31 24.097 4.333 -8.416 233 HB THR 31 HB THR 31 24.754 1.931 -8.165 234 HG1 THR 31 HG1 THR 31 23.718 1.051 -6.538 235 1HG2 THR 31 3HG2 THR 31 26.371 3.797 -7.714 236 2HG2 THR 31 2HG2 THR 31 26.027 3.571 -5.998 237 3HG2 THR 31 1HG2 THR 31 26.738 2.257 -6.935 238 H ALA 32 HN ALA 32 21.708 2.879 -6.288 239 HA ALA 32 HA ALA 32 20.363 1.316 -8.214 240 1HB ALA 32 HB3 ALA 32 18.879 2.575 -5.948 241 2HB ALA 32 HB2 ALA 32 18.752 0.945 -6.608 242 3HB ALA 32 HB1 ALA 32 20.136 1.385 -5.611 243 H ALA 33 HN ALA 33 19.928 4.687 -7.161 244 HA ALA 33 HA ALA 33 17.603 5.343 -8.484 245 1HB ALA 33 HB1 ALA 33 18.974 6.820 -6.960 246 2HB ALA 33 HB3 ALA 33 19.971 7.193 -8.367 247 3HB ALA 33 HB2 ALA 33 18.258 7.615 -8.361 248 H GLN 34 HN GLN 34 20.881 5.734 -9.831 249 HA GLN 34 HA GLN 34 19.972 6.373 -12.430 250 1HB GLN 34 HB2 GLN 34 22.323 6.701 -11.369 251 2HB GLN 34 HB1 GLN 34 22.620 5.050 -11.897 252 1HG GLN 34 HG2 GLN 34 21.946 5.814 -14.213 253 2HG GLN 34 HG1 GLN 34 22.027 7.460 -13.586 254 1HE2 GLN 34 1HE2 GLN 34 24.049 8.289 -12.918 255 2HE2 GLN 34 2HE2 GLN 34 25.529 7.598 -13.482 256 H ASN 35 HN ASN 35 20.743 3.356 -10.804 257 HA ASN 35 HA ASN 35 20.716 1.673 -13.062 258 1HB ASN 35 HB2 ASN 35 21.506 1.107 -10.696 259 2HB ASN 35 HB1 ASN 35 19.810 0.826 -10.314 260 1HD2 ASN 35 1HD2 ASN 35 18.864 -1.045 -10.930 261 2HD2 ASN 35 2HD2 ASN 35 19.676 -2.307 -11.785 262 H LEU 36 HN LEU 36 18.163 3.099 -11.214 263 HA LEU 36 HA LEU 36 16.007 1.456 -11.893 264 1HB LEU 36 HB2 LEU 36 16.111 3.503 -10.288 265 2HB LEU 36 HB1 LEU 36 15.763 4.449 -11.723 266 HG LEU 36 HG LEU 36 13.728 2.869 -12.004 267 1HD1 LEU 36 3HD1 LEU 36 14.361 2.457 -9.085 268 2HD1 LEU 36 2HD1 LEU 36 12.858 1.997 -9.882 269 3HD1 LEU 36 1HD1 LEU 36 14.373 1.222 -10.344 270 1HD2 LEU 36 1HD2 LEU 36 13.573 5.245 -11.466 271 2HD2 LEU 36 3HD2 LEU 36 12.374 4.311 -10.571 272 3HD2 LEU 36 2HD2 LEU 36 13.833 4.882 -9.760 273 H TYR 37 HN TYR 37 17.450 4.254 -13.449 274 HA TYR 37 HA TYR 37 15.774 4.307 -15.738 275 1HB TYR 37 HB2 TYR 37 18.512 5.407 -15.132 276 2HB TYR 37 HB1 TYR 37 17.837 5.520 -16.753 277 HD1 TYR 37 HD1 TYR 37 15.945 6.972 -17.216 278 HD2 TYR 37 HD2 TYR 37 17.578 6.699 -13.297 279 HE1 TYR 37 HE1 TYR 37 14.724 9.006 -16.572 280 HE2 TYR 37 HE2 TYR 37 16.360 8.732 -12.641 281 HH TYR 37 HH TYR 37 15.323 10.902 -14.400 282 H GLU 38 HN GLU 38 18.804 2.706 -14.933 283 HA GLU 38 HA GLU 38 19.494 1.703 -17.440 284 1HB GLU 38 HB2 GLU 38 20.150 0.976 -14.641 285 2HB GLU 38 HB1 GLU 38 20.498 -0.225 -15.875 286 1HG GLU 38 HG2 GLU 38 22.278 0.887 -16.601 287 2HG GLU 38 HG1 GLU 38 21.410 2.420 -16.634 288 H LYS 39 HN LYS 39 17.897 -0.140 -14.846 289 HA LYS 39 HA LYS 39 17.328 -2.392 -16.393 290 1HB LYS 39 HB2 LYS 39 15.829 -3.067 -14.620 291 2HB LYS 39 HB1 LYS 39 17.284 -2.358 -13.933 292 1HG LYS 39 HG2 LYS 39 15.628 -0.197 -14.098 293 2HG LYS 39 HG1 LYS 39 14.499 -1.503 -13.736 294 1HD LYS 39 HD2 LYS 39 17.034 -1.047 -12.177 295 2HD LYS 39 HD1 LYS 39 15.494 -0.303 -11.742 296 1HE LYS 39 HE2 LYS 39 15.311 -2.164 -10.466 297 2HE LYS 39 HE1 LYS 39 14.689 -2.842 -11.968 298 1HZ LYS 39 HZ3 LYS 39 17.546 -2.994 -11.189 299 2HZ LYS 39 HZ2 LYS 39 16.423 -4.198 -10.809 300 3HZ LYS 39 HZ1 LYS 39 16.765 -3.844 -12.426 301 H THR 40 HN THR 40 15.914 0.687 -16.663 302 HA THR 40 HA THR 40 13.256 -0.076 -17.330 303 HB THR 40 HB THR 40 14.836 2.369 -18.155 304 HG1 THR 40 HG1 THR 40 14.590 2.485 -16.004 305 1HG2 THR 40 2HG2 THR 40 11.889 1.818 -18.329 306 2HG2 THR 40 1HG2 THR 40 12.599 3.431 -18.412 307 3HG2 THR 40 3HG2 THR 40 12.992 2.230 -19.642 308 H TYR 41 HN TYR 41 16.060 0.756 -19.308 309 HA TYR 41 HA TYR 41 14.893 0.088 -21.800 310 1HB TYR 41 HB2 TYR 41 17.855 -0.081 -21.374 311 2HB TYR 41 HB1 TYR 41 16.964 0.543 -22.755 312 HD1 TYR 41 HD1 TYR 41 15.393 2.665 -22.041 313 HD2 TYR 41 HD2 TYR 41 19.014 1.476 -20.149 314 HE1 TYR 41 HE1 TYR 41 15.692 4.951 -21.189 315 HE2 TYR 41 HE2 TYR 41 19.323 3.758 -19.292 316 HH TYR 41 HH TYR 41 17.252 5.861 -18.863 317 H LEU 42 HN LEU 42 16.780 -1.760 -19.456 318 HA LEU 42 HA LEU 42 17.195 -4.036 -21.109 319 1HB LEU 42 HB2 LEU 42 17.277 -3.728 -18.109 320 2HB LEU 42 HB1 LEU 42 17.787 -5.169 -18.967 321 HG LEU 42 HG LEU 42 19.050 -2.552 -19.671 322 1HD1 LEU 42 3HD1 LEU 42 19.674 -4.207 -17.235 323 2HD1 LEU 42 2HD1 LEU 42 20.783 -3.028 -17.934 324 3HD1 LEU 42 1HD1 LEU 42 19.227 -2.502 -17.295 325 1HD2 LEU 42 3HD2 LEU 42 19.967 -5.423 -19.617 326 2HD2 LEU 42 2HD2 LEU 42 19.595 -4.449 -21.039 327 3HD2 LEU 42 1HD2 LEU 42 20.994 -4.053 -20.040 328 HA PRO 43 HA PRO 43 13.308 -6.103 -20.471 329 1HB PRO 43 HB2 PRO 43 13.867 -8.405 -21.680 330 2HB PRO 43 HB1 PRO 43 13.864 -6.886 -22.584 331 1HG PRO 43 HG2 PRO 43 16.163 -8.511 -21.617 332 2HG PRO 43 HG1 PRO 43 16.016 -7.537 -23.088 333 1HD PRO 43 HD2 PRO 43 17.259 -6.776 -20.663 334 2HD PRO 43 HD1 PRO 43 16.900 -5.729 -22.048 335 H ALA 44 HN ALA 44 15.508 -6.391 -18.292 336 HA ALA 44 HA ALA 44 15.455 -9.045 -17.331 337 1HB ALA 44 HB2 ALA 44 16.126 -6.414 -16.058 338 2HB ALA 44 HB1 ALA 44 16.155 -7.920 -15.145 339 3HB ALA 44 HB3 ALA 44 17.208 -7.718 -16.544 340 H VAL 45 HN VAL 45 13.066 -6.607 -17.265 341 HA VAL 45 HA VAL 45 11.709 -6.821 -14.930 342 HB VAL 45 HB VAL 45 10.446 -6.730 -17.675 343 1HG1 VAL 45 2HG1 VAL 45 9.343 -6.141 -14.937 344 2HG1 VAL 45 1HG1 VAL 45 8.603 -5.537 -16.420 345 3HG1 VAL 45 3HG1 VAL 45 8.728 -7.274 -16.141 346 1HG2 VAL 45 1HG2 VAL 45 11.563 -4.618 -15.859 347 2HG2 VAL 45 3HG2 VAL 45 11.876 -4.887 -17.574 348 3HG2 VAL 45 2HG2 VAL 45 10.322 -4.239 -17.052 349 H ASP 46 HN ASP 46 10.977 -8.896 -17.755 350 HA ASP 46 HA ASP 46 9.231 -10.604 -16.348 351 1HB ASP 46 HB2 ASP 46 9.423 -10.289 -18.871 352 2HB ASP 46 HB1 ASP 46 10.791 -11.394 -18.806 353 H GLU 47 HN GLU 47 12.716 -10.655 -16.757 354 HA GLU 47 HA GLU 47 13.118 -13.361 -15.982 355 1HB GLU 47 HB2 GLU 47 14.947 -12.441 -17.078 356 2HB GLU 47 HB1 GLU 47 14.858 -10.932 -16.184 357 1HG GLU 47 HG2 GLU 47 15.523 -13.383 -14.658 358 2HG GLU 47 HG1 GLU 47 16.745 -12.748 -15.757 359 H LYS 48 HN LYS 48 13.026 -10.314 -14.177 360 HA LYS 48 HA LYS 48 13.849 -11.287 -11.682 361 1HB LYS 48 HB2 LYS 48 11.980 -9.000 -12.319 362 2HB LYS 48 HB1 LYS 48 12.712 -9.289 -10.748 363 1HG LYS 48 HG2 LYS 48 14.423 -8.974 -13.182 364 2HG LYS 48 HG1 LYS 48 13.777 -7.561 -12.344 365 1HD LYS 48 HD2 LYS 48 15.075 -7.892 -10.496 366 2HD LYS 48 HD1 LYS 48 15.111 -9.645 -10.701 367 1HE LYS 48 HE2 LYS 48 16.983 -9.576 -11.934 368 2HE LYS 48 HE1 LYS 48 16.432 -8.180 -12.860 369 1HZ LYS 48 HZ3 LYS 48 17.542 -8.045 -10.107 370 2HZ LYS 48 HZ2 LYS 48 18.423 -7.723 -11.516 371 3HZ LYS 48 HZ1 LYS 48 17.121 -6.731 -11.089 372 H LEU 49 HN LEU 49 10.777 -11.558 -13.313 373 HA LEU 49 HA LEU 49 9.134 -12.074 -11.079 374 1HB LEU 49 HB2 LEU 49 8.953 -12.488 -14.005 375 2HB LEU 49 HB1 LEU 49 7.943 -13.533 -13.027 376 HG LEU 49 HG LEU 49 6.687 -11.591 -13.748 377 1HD1 LEU 49 1HD1 LEU 49 6.350 -12.589 -11.458 378 2HD1 LEU 49 3HD1 LEU 49 7.290 -11.238 -10.824 379 3HD1 LEU 49 2HD1 LEU 49 5.772 -10.936 -11.671 380 1HD2 LEU 49 2HD2 LEU 49 8.787 -9.965 -12.320 381 2HD2 LEU 49 1HD2 LEU 49 8.535 -10.039 -14.063 382 3HD2 LEU 49 3HD2 LEU 49 7.297 -9.336 -13.022 383 H ARG 50 HN ARG 50 10.430 -14.404 -13.452 384 HA ARG 50 HA ARG 50 9.934 -16.682 -11.864 385 1HB ARG 50 HB2 ARG 50 10.421 -16.535 -14.392 386 2HB ARG 50 HB1 ARG 50 12.117 -16.516 -13.930 387 1HG ARG 50 HG2 ARG 50 12.144 -18.713 -13.616 388 2HG ARG 50 HG1 ARG 50 10.690 -18.660 -12.617 389 1HD ARG 50 HD2 ARG 50 10.132 -20.011 -14.460 390 2HD ARG 50 HD1 ARG 50 9.388 -18.446 -14.785 391 HE ARG 50 HE ARG 50 11.953 -18.559 -15.962 392 1HH1 ARG 50 1HH1 ARG 50 8.717 -19.833 -16.373 393 2HH1 ARG 50 2HH1 ARG 50 8.882 -20.033 -18.083 394 1HH2 ARG 50 1HH2 ARG 50 12.164 -18.827 -18.216 395 2HH2 ARG 50 2HH2 ARG 50 10.839 -19.464 -19.131 396 H ASP 51 HN ASP 51 12.570 -14.389 -11.999 397 HA ASP 51 HA ASP 51 14.608 -15.835 -10.769 398 1HB ASP 51 HB2 ASP 51 14.742 -13.511 -11.795 399 2HB ASP 51 HB1 ASP 51 14.084 -12.901 -10.282 400 H LEU 52 HN LEU 52 12.211 -13.691 -9.223 401 HA LEU 52 HA LEU 52 12.982 -14.237 -6.574 402 1HB LEU 52 HB2 LEU 52 11.438 -12.385 -7.543 403 2HB LEU 52 HB1 LEU 52 10.160 -13.564 -7.328 404 HG LEU 52 HG LEU 52 11.186 -13.672 -4.870 405 1HD1 LEU 52 3HD1 LEU 52 12.973 -12.046 -5.441 406 2HD1 LEU 52 2HD1 LEU 52 11.726 -10.826 -5.702 407 3HD1 LEU 52 1HD1 LEU 52 11.948 -11.531 -4.101 408 1HD2 LEU 52 2HD2 LEU 52 8.869 -13.164 -5.430 409 2HD2 LEU 52 1HD2 LEU 52 9.472 -12.064 -4.190 410 3HD2 LEU 52 3HD2 LEU 52 9.323 -11.515 -5.860 411 H TYR 53 HN TYR 53 10.889 -15.962 -8.795 412 HA TYR 53 HA TYR 53 9.568 -17.577 -6.871 413 1HB TYR 53 HB2 TYR 53 9.986 -17.764 -9.837 414 2HB TYR 53 HB1 TYR 53 9.302 -19.130 -8.963 415 HD1 TYR 53 HD1 TYR 53 7.407 -18.217 -7.158 416 HD2 TYR 53 HD2 TYR 53 8.415 -16.464 -10.901 417 HE1 TYR 53 HE1 TYR 53 5.185 -17.172 -7.262 418 HE2 TYR 53 HE2 TYR 53 6.197 -15.413 -11.014 419 HH TYR 53 HH TYR 53 3.699 -16.236 -9.644 420 H SER 54 HN SER 54 12.500 -18.039 -8.816 421 HA SER 54 HA SER 54 13.056 -20.682 -8.047 422 1HB SER 54 HB2 SER 54 15.020 -18.502 -8.805 423 2HB SER 54 HB1 SER 54 15.348 -20.235 -8.807 424 HG SER 54 HG SER 54 14.130 -20.485 -10.565 425 H LYS 55 HN LYS 55 14.310 -17.607 -6.734 426 HA LYS 55 HA LYS 55 15.822 -18.736 -4.648 427 1HB LYS 55 HB2 LYS 55 14.672 -16.020 -5.168 428 2HB LYS 55 HB1 LYS 55 15.385 -16.369 -3.599 429 1HG LYS 55 HG2 LYS 55 17.401 -15.983 -4.419 430 2HG LYS 55 HG1 LYS 55 17.183 -17.273 -5.602 431 1HD LYS 55 HD2 LYS 55 17.612 -15.408 -6.925 432 2HD LYS 55 HD1 LYS 55 15.852 -15.515 -6.943 433 1HE LYS 55 HE2 LYS 55 16.883 -13.922 -4.728 434 2HE LYS 55 HE1 LYS 55 17.334 -13.282 -6.308 435 1HZ LYS 55 HZ3 LYS 55 14.956 -13.397 -6.925 436 2HZ LYS 55 HZ2 LYS 55 14.586 -13.849 -5.338 437 3HZ LYS 55 HZ1 LYS 55 15.261 -12.331 -5.648 438 H SER 56 HN SER 56 12.473 -17.563 -4.750 439 HA SER 56 HA SER 56 11.888 -17.863 -2.021 440 1HB SER 56 HB2 SER 56 10.198 -17.744 -4.498 441 2HB SER 56 HB1 SER 56 9.460 -18.057 -2.927 442 HG SER 56 HG SER 56 10.668 -15.745 -3.902 443 H THR 57 HN THR 57 12.317 -20.327 -4.408 444 HA THR 57 HA THR 57 10.533 -22.274 -3.520 445 HB THR 57 HB THR 57 13.311 -22.707 -4.639 446 HG1 THR 57 HG1 THR 57 12.500 -22.001 -6.419 447 1HG2 THR 57 1HG2 THR 57 10.919 -24.522 -4.538 448 2HG2 THR 57 3HG2 THR 57 12.324 -24.790 -5.568 449 3HG2 THR 57 2HG2 THR 57 12.505 -24.789 -3.814 450 H ALA 58 HN ALA 58 13.971 -21.885 -2.618 451 HA ALA 58 HA ALA 58 13.613 -23.700 -0.374 452 1HB ALA 58 HB3 ALA 58 15.636 -23.888 -1.714 453 2HB ALA 58 HB2 ALA 58 16.067 -22.224 -1.320 454 3HB ALA 58 HB1 ALA 58 16.025 -23.448 -0.051 455 H ALA 59 HN ALA 59 14.394 -20.280 -0.920 456 HA ALA 59 HA ALA 59 14.803 -19.557 1.762 457 1HB ALA 59 HB3 ALA 59 14.551 -17.262 1.021 458 2HB ALA 59 HB1 ALA 59 13.823 -17.809 -0.489 459 3HB ALA 59 HB2 ALA 59 15.511 -18.181 -0.139 460 H MET 60 HN MET 60 11.913 -18.844 -0.229 461 HA MET 60 HA MET 60 10.340 -17.951 1.913 462 1HB MET 60 HB2 MET 60 10.040 -17.870 -0.746 463 2HB MET 60 HB1 MET 60 8.959 -19.210 -0.391 464 1HG MET 60 HG2 MET 60 7.932 -17.646 1.368 465 2HG MET 60 HG1 MET 60 8.781 -16.363 0.509 466 1HE MET 60 HE2 MET 60 5.798 -16.829 1.218 467 2HE MET 60 HE1 MET 60 4.741 -16.827 -0.193 468 3HE MET 60 HE3 MET 60 5.310 -18.355 0.482 469 H SER 61 HN SER 61 11.101 -21.193 0.935 470 HA SER 61 HA SER 61 8.813 -22.491 1.989 471 1HB SER 61 HB2 SER 61 11.425 -23.290 0.940 472 2HB SER 61 HB1 SER 61 10.846 -24.345 2.227 473 HG SER 61 HG SER 61 9.277 -25.029 0.976 474 H THR 62 HN THR 62 11.518 -21.030 3.527 475 HA THR 62 HA THR 62 11.021 -22.483 6.025 476 HB THR 62 HB THR 62 13.115 -21.439 6.828 477 HG1 THR 62 HG1 THR 62 13.576 -19.655 5.805 478 1HG2 THR 62 2HG2 THR 62 13.219 -23.603 5.623 479 2HG2 THR 62 1HG2 THR 62 13.568 -22.710 4.142 480 3HG2 THR 62 3HG2 THR 62 14.690 -22.636 5.501 481 H TYR 63 HN TYR 63 11.343 -19.163 4.780 482 HA TYR 63 HA TYR 63 10.541 -17.865 7.136 483 1HB TYR 63 HB2 TYR 63 10.387 -16.894 4.275 484 2HB TYR 63 HB1 TYR 63 10.250 -15.882 5.709 485 HD1 TYR 63 HD1 TYR 63 12.346 -16.422 7.434 486 HD2 TYR 63 HD2 TYR 63 12.401 -16.709 3.189 487 HE1 TYR 63 HE1 TYR 63 14.786 -16.118 7.451 488 HE2 TYR 63 HE2 TYR 63 14.840 -16.406 3.194 489 HH TYR 63 HH TYR 63 16.535 -15.138 5.293 490 H THR 64 HN THR 64 8.735 -19.599 4.761 491 HA THR 64 HA THR 64 6.290 -18.175 5.088 492 HB THR 64 HB THR 64 7.028 -20.835 3.925 493 HG1 THR 64 HG1 THR 64 5.684 -18.537 2.947 494 1HG2 THR 64 2HG2 THR 64 4.228 -19.971 4.570 495 2HG2 THR 64 1HG2 THR 64 4.601 -21.086 3.255 496 3HG2 THR 64 3HG2 THR 64 5.012 -21.513 4.915 497 H GLY 65 HN GLY 65 7.372 -21.318 6.359 498 1HA GLY 65 HA1 GLY 65 6.741 -22.460 8.257 499 2HA GLY 65 HA2 GLY 65 5.231 -21.553 8.216 500 H ILE 66 HN ILE 66 8.474 -20.188 8.360 501 HA ILE 66 HA ILE 66 8.600 -19.759 11.150 502 HB ILE 66 HB ILE 66 10.028 -18.435 8.848 503 1HG1 ILE 66 2HG1 ILE 66 11.199 -20.125 11.049 504 2HG1 ILE 66 1HG1 ILE 66 10.479 -20.857 9.619 505 1HG2 ILE 66 3HG2 ILE 66 10.210 -17.828 11.782 506 2HG2 ILE 66 2HG2 ILE 66 11.563 -17.536 10.688 507 3HG2 ILE 66 1HG2 ILE 66 10.026 -16.709 10.429 508 1HD1 ILE 66 3HD1 ILE 66 12.119 -19.156 8.407 509 2HD1 ILE 66 2HD1 ILE 66 13.007 -19.356 9.918 510 3HD1 ILE 66 1HD1 ILE 66 12.627 -20.764 8.924 511 H PHE 67 HN PHE 67 7.905 -17.448 8.512 512 HA PHE 67 HA PHE 67 7.255 -15.234 10.039 513 1HB PHE 67 HB2 PHE 67 6.268 -16.153 7.350 514 2HB PHE 67 HB1 PHE 67 5.651 -14.676 8.075 515 HD1 PHE 67 HD1 PHE 67 9.032 -15.257 9.013 516 HD2 PHE 67 HD2 PHE 67 6.591 -13.759 5.862 517 HE1 PHE 67 HE1 PHE 67 10.957 -14.020 8.113 518 HE2 PHE 67 HE2 PHE 67 8.514 -12.521 4.958 519 HZ PHE 67 HZ PHE 67 10.700 -12.651 6.083 520 H THR 68 HN THR 68 4.974 -17.681 8.801 521 HA THR 68 HA THR 68 2.723 -16.660 10.154 522 HB THR 68 HB THR 68 1.684 -18.862 9.662 523 HG1 THR 68 HG1 THR 68 3.183 -20.376 9.734 524 1HG2 THR 68 2HG2 THR 68 3.237 -17.716 7.355 525 2HG2 THR 68 1HG2 THR 68 1.865 -18.817 7.229 526 3HG2 THR 68 3HG2 THR 68 1.641 -17.202 7.902 527 H ASP 69 HN ASP 69 5.331 -18.663 11.194 528 HA ASP 69 HA ASP 69 4.154 -20.028 13.335 529 1HB ASP 69 HB2 ASP 69 6.759 -19.699 12.342 530 2HB ASP 69 HB1 ASP 69 6.831 -19.155 14.014 531 H GLN 70 HN GLN 70 5.808 -16.870 13.337 532 HA GLN 70 HA GLN 70 5.225 -16.307 16.064 533 1HB GLN 70 HB2 GLN 70 6.132 -14.576 13.768 534 2HB GLN 70 HB1 GLN 70 5.862 -13.935 15.382 535 1HG GLN 70 HG2 GLN 70 8.110 -14.337 15.438 536 2HG GLN 70 HG1 GLN 70 7.484 -15.843 16.105 537 1HE2 GLN 70 1HE2 GLN 70 8.485 -14.347 13.051 538 2HE2 GLN 70 2HE2 GLN 70 9.129 -15.791 12.354 539 H VAL 71 HN VAL 71 3.473 -15.859 13.100 540 HA VAL 71 HA VAL 71 1.668 -13.852 13.993 541 HB VAL 71 HB VAL 71 1.319 -15.933 11.817 542 1HG1 VAL 71 1HG1 VAL 71 -0.329 -13.526 12.554 543 2HG1 VAL 71 3HG1 VAL 71 -0.400 -14.281 10.962 544 3HG1 VAL 71 2HG1 VAL 71 -0.853 -15.202 12.396 545 1HG2 VAL 71 2HG2 VAL 71 3.181 -14.081 11.741 546 2HG2 VAL 71 1HG2 VAL 71 2.219 -14.454 10.311 547 3HG2 VAL 71 3HG2 VAL 71 1.827 -13.044 11.294 548 H LEU 72 HN LEU 72 1.387 -17.367 13.626 549 HA LEU 72 HA LEU 72 -1.110 -17.689 14.851 550 1HB LEU 72 HB2 LEU 72 1.206 -19.442 14.242 551 2HB LEU 72 HB1 LEU 72 0.113 -20.009 15.490 552 HG LEU 72 HG LEU 72 -1.738 -19.518 13.698 553 1HD1 LEU 72 1HD1 LEU 72 -0.229 -18.441 12.099 554 2HD1 LEU 72 3HD1 LEU 72 0.693 -19.938 11.965 555 3HD1 LEU 72 2HD1 LEU 72 -0.983 -19.881 11.418 556 1HD2 LEU 72 2HD2 LEU 72 0.126 -21.882 13.513 557 2HD2 LEU 72 1HD2 LEU 72 -1.237 -21.716 14.618 558 3HD2 LEU 72 3HD2 LEU 72 -1.518 -21.815 12.881 559 H SER 73 HN SER 73 2.168 -17.468 16.100 560 HA SER 73 HA SER 73 1.689 -18.194 18.754 561 1HB SER 73 HB2 SER 73 3.942 -17.761 17.575 562 2HB SER 73 HB1 SER 73 3.681 -16.068 17.993 563 HG SER 73 HG SER 73 4.256 -18.244 19.630 564 H VAL 74 HN VAL 74 1.441 -15.022 17.194 565 HA VAL 74 HA VAL 74 0.760 -13.678 19.626 566 HB VAL 74 HB VAL 74 0.233 -11.742 18.315 567 1HG1 VAL 74 2HG1 VAL 74 2.689 -13.011 18.289 568 2HG1 VAL 74 1HG1 VAL 74 2.443 -12.521 16.614 569 3HG1 VAL 74 3HG1 VAL 74 2.374 -11.319 17.902 570 1HG2 VAL 74 3HG2 VAL 74 -0.861 -13.342 16.469 571 2HG2 VAL 74 2HG2 VAL 74 -0.366 -11.685 16.131 572 3HG2 VAL 74 1HG2 VAL 74 0.689 -13.027 15.689 573 H LEU 75 HN LEU 75 -0.985 -15.707 17.514 574 HA LEU 75 HA LEU 75 -3.587 -14.626 17.784 575 1HB LEU 75 HB2 LEU 75 -2.745 -16.435 16.161 576 2HB LEU 75 HB1 LEU 75 -2.985 -17.556 17.486 577 HG LEU 75 HG LEU 75 -5.407 -16.332 17.429 578 1HD1 LEU 75 3HD1 LEU 75 -4.771 -15.026 15.434 579 2HD1 LEU 75 2HD1 LEU 75 -4.522 -16.534 14.554 580 3HD1 LEU 75 1HD1 LEU 75 -6.131 -16.108 15.138 581 1HD2 LEU 75 1HD2 LEU 75 -4.506 -18.737 15.851 582 2HD2 LEU 75 3HD2 LEU 75 -5.056 -18.718 17.527 583 3HD2 LEU 75 2HD2 LEU 75 -6.184 -18.340 16.224 584 H LYS 76 HN LYS 76 -1.683 -16.842 19.692 585 HA LYS 76 HA LYS 76 -3.753 -17.583 21.506 586 1HB LYS 76 HB2 LYS 76 -0.769 -17.873 21.477 587 2HB LYS 76 HB1 LYS 76 -1.666 -18.233 22.945 588 1HG LYS 76 HG2 LYS 76 -1.547 -20.300 21.960 589 2HG LYS 76 HG1 LYS 76 -3.109 -19.725 21.375 590 1HD LYS 76 HD2 LYS 76 -1.053 -18.847 19.590 591 2HD LYS 76 HD1 LYS 76 -0.888 -20.583 19.858 592 1HE LYS 76 HE2 LYS 76 -3.288 -20.851 19.314 593 2HE LYS 76 HE1 LYS 76 -3.370 -19.129 18.951 594 1HZ LYS 76 HZ2 LYS 76 -1.503 -20.974 17.573 595 2HZ LYS 76 HZ1 LYS 76 -3.056 -20.638 16.995 596 3HZ LYS 76 HZ3 LYS 76 -1.917 -19.396 17.128 597 H GLY 77 HN GLY 77 -1.132 -15.178 21.616 598 1HA GLY 77 HA1 GLY 77 -0.618 -13.736 23.420 599 2HA GLY 77 HA2 GLY 77 -2.122 -14.203 24.195 600 H GLU 78 HN GLU 78 -3.955 -13.720 22.165 601 HA GLU 78 HA GLU 78 -4.378 -10.951 22.426 602 1HB GLU 78 HB2 GLU 78 -2.647 -10.623 20.801 603 2HB GLU 78 HB1 GLU 78 -3.312 -11.866 19.753 604 1HG GLU 78 HG2 GLU 78 -5.379 -10.036 20.057 605 2HG GLU 78 HG1 GLU 78 -3.925 -9.051 19.903 606 H GLU 79 HN GLU 79 -4.997 -13.098 19.637 607 HA GLU 79 HA GLU 79 -7.617 -13.817 20.450 608 1HB GLU 79 HB2 GLU 79 -7.910 -11.366 19.889 609 2HB GLU 79 HB1 GLU 79 -7.526 -11.776 18.223 610 1HG GLU 79 HG2 GLU 79 -9.746 -13.157 19.680 611 2HG GLU 79 HG1 GLU 79 -9.989 -11.587 18.916 No H/Q in entry = 611 Start of MODEL 16 1 H1 THR 1 HT3 THR 1 23.834 4.789 39.419 2 H2 THR 1 HT2 THR 1 24.111 6.482 39.375 3 H3 THR 1 HT1 THR 1 22.634 5.867 39.996 4 HA THR 1 HA THR 1 21.996 5.067 37.891 5 HB THR 1 HB THR 1 22.001 7.308 36.662 6 HG1 THR 1 HG1 THR 1 23.829 8.276 37.382 7 1HG2 THR 1 3HG2 THR 1 20.259 6.650 38.328 8 2HG2 THR 1 2HG2 THR 1 21.186 7.530 39.543 9 3HG2 THR 1 1HG2 THR 1 20.516 8.387 38.155 10 H GLN 2 HN GLN 2 22.547 4.207 35.974 11 HA GLN 2 HA GLN 2 25.351 4.188 35.227 12 1HB GLN 2 HB2 GLN 2 23.008 2.774 33.936 13 2HB GLN 2 HB1 GLN 2 24.709 2.471 33.611 14 1HG GLN 2 HG2 GLN 2 24.794 0.999 35.255 15 2HG GLN 2 HG1 GLN 2 24.248 2.211 36.412 16 1HE2 GLN 2 1HE2 GLN 2 23.560 -0.733 35.100 17 2HE2 GLN 2 2HE2 GLN 2 21.871 -0.812 35.450 18 H GLN 3 HN GLN 3 25.959 6.045 34.239 19 HA GLN 3 HA GLN 3 24.264 7.425 32.384 20 1HB GLN 3 HB2 GLN 3 26.938 7.857 33.567 21 2HB GLN 3 HB1 GLN 3 26.702 8.542 31.965 22 1HG GLN 3 HG2 GLN 3 26.214 10.143 33.749 23 2HG GLN 3 HG1 GLN 3 24.804 9.813 32.744 24 1HE2 GLN 3 1HE2 GLN 3 23.007 8.929 33.650 25 2HE2 GLN 3 2HE2 GLN 3 22.847 8.589 35.335 26 HA PRO 4 HA PRO 4 27.274 5.897 28.982 27 1HB PRO 4 HB2 PRO 4 29.329 4.251 29.655 28 2HB PRO 4 HB1 PRO 4 29.469 6.011 29.654 29 1HG PRO 4 HG2 PRO 4 29.046 4.146 31.949 30 2HG PRO 4 HG1 PRO 4 30.070 5.589 31.849 31 1HD PRO 4 HD2 PRO 4 27.627 5.571 33.051 32 2HD PRO 4 HD1 PRO 4 28.324 7.010 32.285 33 H GLN 5 HN GLN 5 27.185 3.423 31.557 34 HA GLN 5 HA GLN 5 26.583 1.275 29.774 35 1HB GLN 5 HB2 GLN 5 27.694 1.179 32.104 36 2HB GLN 5 HB1 GLN 5 26.059 1.258 32.740 37 1HG GLN 5 HG2 GLN 5 26.331 -0.768 30.685 38 2HG GLN 5 HG1 GLN 5 27.448 -1.018 32.025 39 1HE2 GLN 5 1HE2 GLN 5 24.625 -2.029 30.953 40 2HE2 GLN 5 2HE2 GLN 5 23.768 -2.275 32.432 41 H GLN 6 HN GLN 6 24.583 -0.056 29.978 42 HA GLN 6 HA GLN 6 22.277 1.532 29.534 43 1HB GLN 6 HB2 GLN 6 22.930 -0.894 28.708 44 2HB GLN 6 HB1 GLN 6 22.067 -1.390 30.157 45 1HG GLN 6 HG2 GLN 6 20.330 0.392 29.009 46 2HG GLN 6 HG1 GLN 6 21.053 -0.399 27.613 47 1HE2 GLN 6 1HE2 GLN 6 19.865 -1.334 30.838 48 2HE2 GLN 6 2HE2 GLN 6 18.969 -2.704 30.291 49 H ASP 7 HN ASP 7 20.158 1.147 30.742 50 HA ASP 7 HA ASP 7 20.538 1.757 33.498 51 1HB ASP 7 HB2 ASP 7 18.150 2.007 33.605 52 2HB ASP 7 HB1 ASP 7 18.690 2.668 32.067 53 H GLU 8 HN GLU 8 18.634 0.510 34.944 54 HA GLU 8 HA GLU 8 19.819 -2.018 35.495 55 1HB GLU 8 HB2 GLU 8 18.887 -0.661 37.286 56 2HB GLU 8 HB1 GLU 8 17.291 -0.743 36.558 57 1HG GLU 8 HG2 GLU 8 18.579 -3.322 37.200 58 2HG GLU 8 HG1 GLU 8 18.084 -2.321 38.564 59 H MET 9 HN MET 9 16.532 -1.140 34.389 60 HA MET 9 HA MET 9 15.760 -3.825 33.877 61 1HB MET 9 HB2 MET 9 14.607 -1.192 32.946 62 2HB MET 9 HB1 MET 9 13.866 -2.749 32.607 63 1HG MET 9 HG2 MET 9 12.926 -2.835 34.610 64 2HG MET 9 HG1 MET 9 14.445 -2.456 35.419 65 1HE MET 9 HE1 MET 9 15.236 -0.504 36.156 66 2HE MET 9 HE3 MET 9 15.141 0.779 34.951 67 3HE MET 9 HE2 MET 9 14.312 0.959 36.497 68 HA PRO 10 HA PRO 10 17.804 -4.429 29.984 69 1HB PRO 10 HB2 PRO 10 16.379 -6.562 29.089 70 2HB PRO 10 HB1 PRO 10 17.587 -6.683 30.373 71 1HG PRO 10 HG2 PRO 10 14.607 -6.493 30.590 72 2HG PRO 10 HG1 PRO 10 15.730 -7.538 31.480 73 1HD PRO 10 HD2 PRO 10 14.706 -5.265 32.536 74 2HD PRO 10 HD1 PRO 10 16.327 -5.861 32.944 75 H SER 11 HN SER 11 17.044 -2.410 29.082 76 HA SER 11 HA SER 11 14.513 -2.227 27.772 77 1HB SER 11 HB2 SER 11 15.560 -0.143 26.735 78 2HB SER 11 HB1 SER 11 15.458 -0.171 28.494 79 HG SER 11 HG SER 11 17.553 -0.094 28.585 80 HA PRO 12 HA PRO 12 15.931 -4.486 24.156 81 1HB PRO 12 HB2 PRO 12 13.534 -4.715 22.953 82 2HB PRO 12 HB1 PRO 12 13.966 -5.676 24.372 83 1HG PRO 12 HG2 PRO 12 12.294 -3.202 24.197 84 2HG PRO 12 HG1 PRO 12 12.020 -4.672 25.149 85 1HD PRO 12 HD2 PRO 12 13.076 -2.365 26.179 86 2HD PRO 12 HD1 PRO 12 13.402 -3.978 26.838 87 H THR 13 HN THR 13 17.183 -2.838 23.211 88 HA THR 13 HA THR 13 16.029 -0.590 21.885 89 HB THR 13 HB THR 13 18.329 -0.305 20.923 90 HG1 THR 13 HG1 THR 13 19.305 -2.187 20.799 91 1HG2 THR 13 2HG2 THR 13 17.778 0.675 23.107 92 2HG2 THR 13 1HG2 THR 13 18.343 -0.802 23.889 93 3HG2 THR 13 3HG2 THR 13 19.471 0.200 22.976 94 H PHE 14 HN PHE 14 15.391 -0.337 19.814 95 HA PHE 14 HA PHE 14 16.141 -2.240 17.766 96 1HB PHE 14 HB2 PHE 14 13.921 -2.902 19.185 97 2HB PHE 14 HB1 PHE 14 13.207 -1.917 17.912 98 HD1 PHE 14 HD1 PHE 14 15.043 -4.995 18.666 99 HD2 PHE 14 HD2 PHE 14 13.206 -2.654 15.622 100 HE1 PHE 14 HE1 PHE 14 15.140 -6.916 17.134 101 HE2 PHE 14 HE2 PHE 14 13.300 -4.572 14.085 102 HZ PHE 14 HZ PHE 14 14.268 -6.708 14.840 103 H LEU 15 HN LEU 15 13.835 0.379 18.535 104 HA LEU 15 HA LEU 15 13.601 1.366 15.912 105 1HB LEU 15 HB2 LEU 15 13.025 2.439 18.632 106 2HB LEU 15 HB1 LEU 15 13.049 3.566 17.290 107 HG LEU 15 HG LEU 15 11.402 1.884 16.172 108 1HD1 LEU 15 2HD1 LEU 15 11.136 1.167 19.087 109 2HD1 LEU 15 1HD1 LEU 15 9.958 0.759 17.839 110 3HD1 LEU 15 3HD1 LEU 15 11.589 0.091 17.764 111 1HD2 LEU 15 1HD2 LEU 15 10.845 4.170 16.830 112 2HD2 LEU 15 3HD2 LEU 15 9.517 3.063 17.175 113 3HD2 LEU 15 2HD2 LEU 15 10.557 3.628 18.483 114 H THR 16 HN THR 16 15.885 2.103 18.504 115 HA THR 16 HA THR 16 17.074 4.389 17.428 116 HB THR 16 HB THR 16 19.140 3.564 18.728 117 HG1 THR 16 HG1 THR 16 18.925 1.460 19.016 118 1HG2 THR 16 1HG2 THR 16 17.528 5.133 19.697 119 2HG2 THR 16 3HG2 THR 16 16.555 3.772 20.252 120 3HG2 THR 16 2HG2 THR 16 18.180 4.013 20.893 121 H GLN 17 HN GLN 17 17.805 0.958 16.873 122 HA GLN 17 HA GLN 17 20.081 1.326 15.261 123 1HB GLN 17 HB2 GLN 17 18.057 -0.914 15.369 124 2HB GLN 17 HB1 GLN 17 19.513 -0.977 14.385 125 1HG GLN 17 HG2 GLN 17 20.482 -1.908 16.151 126 2HG GLN 17 HG1 GLN 17 20.489 -0.292 16.852 127 1HE2 GLN 17 1HE2 GLN 17 18.963 -3.414 16.848 128 2HE2 GLN 17 2HE2 GLN 17 18.046 -3.191 18.295 129 H VAL 18 HN VAL 18 16.690 0.744 14.340 130 HA VAL 18 HA VAL 18 16.575 0.660 11.705 131 HB VAL 18 HB VAL 18 14.904 2.601 13.306 132 1HG1 VAL 18 1HG1 VAL 18 14.577 1.447 10.552 133 2HG1 VAL 18 3HG1 VAL 18 13.209 2.061 11.481 134 3HG1 VAL 18 2HG1 VAL 18 14.536 3.139 11.049 135 1HG2 VAL 18 3HG2 VAL 18 14.781 -0.349 12.877 136 2HG2 VAL 18 2HG2 VAL 18 14.500 0.587 14.344 137 3HG2 VAL 18 1HG2 VAL 18 13.281 0.558 13.070 138 H LYS 19 HN LYS 19 17.027 3.795 13.361 139 HA LYS 19 HA LYS 19 17.097 5.461 11.170 140 1HB LYS 19 HB2 LYS 19 18.604 5.619 13.776 141 2HB LYS 19 HB1 LYS 19 18.634 6.911 12.584 142 1HG LYS 19 HG2 LYS 19 16.815 7.737 13.532 143 2HG LYS 19 HG1 LYS 19 15.931 6.321 12.961 144 1HD LYS 19 HD2 LYS 19 16.491 5.134 15.022 145 2HD LYS 19 HD1 LYS 19 17.397 6.537 15.590 146 1HE LYS 19 HE2 LYS 19 15.536 7.659 16.180 147 2HE LYS 19 HE1 LYS 19 14.632 7.100 14.774 148 1HZ LYS 19 HZ1 LYS 19 15.186 5.455 17.186 149 2HZ LYS 19 HZ3 LYS 19 13.732 6.268 16.885 150 3HZ LYS 19 HZ2 LYS 19 14.226 5.013 15.864 151 H GLU 20 HN GLU 20 19.880 3.800 12.646 152 HA GLU 20 HA GLU 20 21.790 4.751 10.804 153 1HB GLU 20 HB2 GLU 20 21.769 2.310 12.578 154 2HB GLU 20 HB1 GLU 20 23.157 2.780 11.607 155 1HG GLU 20 HG2 GLU 20 23.697 3.703 13.626 156 2HG GLU 20 HG1 GLU 20 22.893 5.061 12.840 157 H SER 21 HN SER 21 19.549 2.089 10.706 158 HA SER 21 HA SER 21 20.734 0.594 8.630 159 1HB SER 21 HB2 SER 21 18.909 -0.753 8.786 160 2HB SER 21 HB1 SER 21 18.600 0.180 10.249 161 HG SER 21 HG SER 21 16.938 1.096 9.316 162 H LEU 22 HN LEU 22 18.435 3.284 8.591 163 HA LEU 22 HA LEU 22 18.013 3.249 5.774 164 1HB LEU 22 HB2 LEU 22 17.394 5.138 8.000 165 2HB LEU 22 HB1 LEU 22 17.312 5.735 6.353 166 HG LEU 22 HG LEU 22 15.817 3.544 6.044 167 1HD1 LEU 22 1HD1 LEU 22 15.557 4.271 8.954 168 2HD1 LEU 22 3HD1 LEU 22 14.344 3.352 8.062 169 3HD1 LEU 22 2HD1 LEU 22 15.971 2.702 8.264 170 1HD2 LEU 22 3HD2 LEU 22 15.149 5.830 5.515 171 2HD2 LEU 22 2HD2 LEU 22 13.855 4.967 6.348 172 3HD2 LEU 22 1HD2 LEU 22 14.838 6.141 7.224 173 H SER 23 HN SER 23 20.228 4.984 7.920 174 HA SER 23 HA SER 23 21.265 6.803 6.066 175 1HB SER 23 HB2 SER 23 22.727 5.509 8.383 176 2HB SER 23 HB1 SER 23 23.186 7.006 7.571 177 HG SER 23 HG SER 23 21.197 6.535 9.435 178 H SER 24 HN SER 24 22.536 3.614 7.024 179 HA SER 24 HA SER 24 24.631 3.559 5.130 180 1HB SER 24 HB2 SER 24 23.195 1.257 6.476 181 2HB SER 24 HB1 SER 24 24.727 1.135 5.611 182 HG SER 24 HG SER 24 24.173 2.198 8.115 183 H TYR 25 HN TYR 25 21.242 3.126 4.778 184 HA TYR 25 HA TYR 25 21.360 1.456 2.438 185 1HB TYR 25 HB2 TYR 25 19.407 1.478 3.990 186 2HB TYR 25 HB1 TYR 25 19.051 3.121 3.467 187 HD1 TYR 25 HD1 TYR 25 18.082 3.551 1.291 188 HD2 TYR 25 HD2 TYR 25 19.029 -0.417 2.498 189 HE1 TYR 25 HE1 TYR 25 16.736 2.670 -0.569 190 HE2 TYR 25 HE2 TYR 25 17.686 -1.309 0.641 191 HH TYR 25 HH TYR 25 16.930 0.037 -1.896 192 H TRP 26 HN TRP 26 20.937 4.910 3.106 193 HA TRP 26 HA TRP 26 20.411 5.730 0.463 194 1HB TRP 26 HB2 TRP 26 21.053 7.016 3.016 195 2HB TRP 26 HB1 TRP 26 21.677 7.892 1.621 196 HD1 TRP 26 HD1 TRP 26 20.047 9.726 0.938 197 HE1 TRP 26 HE1 TRP 26 17.489 9.990 0.825 198 HE3 TRP 26 HE3 TRP 26 18.674 5.145 2.748 199 HZ2 TRP 26 HZ2 TRP 26 15.195 8.459 1.424 200 HZ3 TRP 26 HZ3 TRP 26 16.279 4.624 2.947 201 HH2 TRP 26 HH2 TRP 26 14.576 6.249 2.298 202 H GLU 27 HN GLU 27 23.414 5.295 2.247 203 HA GLU 27 HA GLU 27 25.324 6.481 0.746 204 1HB GLU 27 HB2 GLU 27 25.227 4.036 2.384 205 2HB GLU 27 HB1 GLU 27 26.536 4.076 1.211 206 1HG GLU 27 HG2 GLU 27 27.442 4.972 3.166 207 2HG GLU 27 HG1 GLU 27 27.105 6.365 2.142 208 H SER 28 HN SER 28 24.204 3.152 0.145 209 HA SER 28 HA SER 28 25.321 3.245 -2.546 210 1HB SER 28 HB2 SER 28 24.096 1.009 -0.922 211 2HB SER 28 HB1 SER 28 24.627 0.818 -2.593 212 HG SER 28 HG SER 28 26.671 0.945 -1.979 213 H ALA 29 HN ALA 29 22.427 4.129 -1.151 214 HA ALA 29 HA ALA 29 20.488 3.029 -2.861 215 1HB ALA 29 HB2 ALA 29 19.834 4.151 -0.836 216 2HB ALA 29 HB3 ALA 29 19.086 4.964 -2.210 217 3HB ALA 29 HB1 ALA 29 20.493 5.678 -1.423 218 H LYS 30 HN LYS 30 22.596 5.839 -3.263 219 HA LYS 30 HA LYS 30 21.378 7.077 -5.416 220 1HB LYS 30 HB2 LYS 30 24.219 6.871 -4.512 221 2HB LYS 30 HB1 LYS 30 23.876 7.615 -6.066 222 1HG LYS 30 HG2 LYS 30 23.064 9.482 -5.136 223 2HG LYS 30 HG1 LYS 30 22.217 8.602 -3.863 224 1HD LYS 30 HD2 LYS 30 25.198 8.772 -3.793 225 2HD LYS 30 HD1 LYS 30 24.240 10.164 -3.283 226 1HE LYS 30 HE2 LYS 30 23.155 8.886 -1.585 227 2HE LYS 30 HE1 LYS 30 23.844 7.383 -2.195 228 1HZ LYS 30 HZ3 LYS 30 25.505 9.604 -1.148 229 2HZ LYS 30 HZ2 LYS 30 24.940 8.343 -0.173 230 3HZ LYS 30 HZ1 LYS 30 25.981 8.010 -1.464 231 H THR 31 HN THR 31 23.823 4.494 -5.543 232 HA THR 31 HA THR 31 24.081 4.182 -8.264 233 HB THR 31 HB THR 31 23.904 1.843 -6.360 234 HG1 THR 31 HG1 THR 31 25.433 2.796 -5.298 235 1HG2 THR 31 3HG2 THR 31 25.615 2.322 -8.787 236 2HG2 THR 31 2HG2 THR 31 25.711 0.920 -7.720 237 3HG2 THR 31 1HG2 THR 31 24.252 1.210 -8.666 238 H ALA 32 HN ALA 32 21.547 3.029 -6.114 239 HA ALA 32 HA ALA 32 20.150 1.429 -7.970 240 1HB ALA 32 HB2 ALA 32 18.690 2.911 -5.828 241 2HB ALA 32 HB1 ALA 32 18.495 1.247 -6.380 242 3HB ALA 32 HB3 ALA 32 19.878 1.687 -5.378 243 H ALA 33 HN ALA 33 19.867 4.870 -7.106 244 HA ALA 33 HA ALA 33 17.628 5.579 -8.541 245 1HB ALA 33 HB1 ALA 33 19.038 7.048 -7.033 246 2HB ALA 33 HB3 ALA 33 20.075 7.319 -8.433 247 3HB ALA 33 HB2 ALA 33 18.383 7.815 -8.480 248 H GLN 34 HN GLN 34 20.966 5.741 -9.786 249 HA GLN 34 HA GLN 34 20.177 6.316 -12.437 250 1HB GLN 34 HB2 GLN 34 22.568 6.291 -11.117 251 2HB GLN 34 HB1 GLN 34 22.712 4.845 -12.105 252 1HG GLN 34 HG2 GLN 34 22.355 6.113 -14.111 253 2HG GLN 34 HG1 GLN 34 22.016 7.569 -13.176 254 1HE2 GLN 34 1HE2 GLN 34 24.476 5.394 -14.314 255 2HE2 GLN 34 2HE2 GLN 34 25.829 6.392 -13.911 256 H ASN 35 HN ASN 35 20.737 3.328 -10.674 257 HA ASN 35 HA ASN 35 20.687 1.564 -12.871 258 1HB ASN 35 HB2 ASN 35 21.443 0.934 -10.580 259 2HB ASN 35 HB1 ASN 35 19.764 0.986 -10.049 260 1HD2 ASN 35 1HD2 ASN 35 21.831 -0.517 -12.516 261 2HD2 ASN 35 2HD2 ASN 35 21.019 -2.042 -12.508 262 H LEU 36 HN LEU 36 18.162 3.190 -11.150 263 HA LEU 36 HA LEU 36 15.942 1.637 -11.832 264 1HB LEU 36 HB2 LEU 36 16.139 3.761 -10.315 265 2HB LEU 36 HB1 LEU 36 15.824 4.639 -11.799 266 HG LEU 36 HG LEU 36 13.939 2.449 -11.127 267 1HD1 LEU 36 3HD1 LEU 36 14.337 3.553 -8.953 268 2HD1 LEU 36 2HD1 LEU 36 13.877 5.092 -9.681 269 3HD1 LEU 36 1HD1 LEU 36 12.697 3.789 -9.556 270 1HD2 LEU 36 3HD2 LEU 36 13.650 5.247 -12.216 271 2HD2 LEU 36 2HD2 LEU 36 13.622 3.745 -13.141 272 3HD2 LEU 36 1HD2 LEU 36 12.326 4.102 -11.999 273 H TYR 37 HN TYR 37 17.566 4.306 -13.439 274 HA TYR 37 HA TYR 37 15.969 4.355 -15.781 275 1HB TYR 37 HB2 TYR 37 18.594 5.478 -14.953 276 2HB TYR 37 HB1 TYR 37 18.317 5.320 -16.684 277 HD1 TYR 37 HD1 TYR 37 16.666 6.685 -17.811 278 HD2 TYR 37 HD2 TYR 37 17.244 7.007 -13.606 279 HE1 TYR 37 HE1 TYR 37 15.379 8.780 -17.799 280 HE2 TYR 37 HE2 TYR 37 15.960 9.103 -13.586 281 HH TYR 37 HH TYR 37 15.471 10.988 -15.759 282 H GLU 38 HN GLU 38 18.900 2.648 -14.836 283 HA GLU 38 HA GLU 38 19.591 1.518 -17.297 284 1HB GLU 38 HB2 GLU 38 20.006 0.373 -14.532 285 2HB GLU 38 HB1 GLU 38 20.810 -0.194 -15.986 286 1HG GLU 38 HG2 GLU 38 21.253 2.285 -14.414 287 2HG GLU 38 HG1 GLU 38 22.419 1.166 -15.112 288 H LYS 39 HN LYS 39 17.660 0.103 -14.687 289 HA LYS 39 HA LYS 39 17.012 -2.305 -15.928 290 1HB LYS 39 HB2 LYS 39 15.512 -0.684 -13.870 291 2HB LYS 39 HB1 LYS 39 15.036 -2.305 -14.357 292 1HG LYS 39 HG2 LYS 39 17.788 -1.729 -13.316 293 2HG LYS 39 HG1 LYS 39 16.432 -2.043 -12.233 294 1HD LYS 39 HD2 LYS 39 17.033 -4.197 -12.455 295 2HD LYS 39 HD1 LYS 39 16.188 -4.098 -14.001 296 1HE LYS 39 HE2 LYS 39 18.805 -3.098 -14.402 297 2HE LYS 39 HE1 LYS 39 18.952 -4.600 -13.490 298 1HZ LYS 39 HZ3 LYS 39 17.284 -4.405 -15.928 299 2HZ LYS 39 HZ2 LYS 39 18.932 -4.778 -15.998 300 3HZ LYS 39 HZ1 LYS 39 17.870 -5.796 -15.165 301 H THR 40 HN THR 40 15.915 0.859 -16.697 302 HA THR 40 HA THR 40 13.352 0.135 -17.735 303 HB THR 40 HB THR 40 15.026 2.520 -18.529 304 HG1 THR 40 HG1 THR 40 14.400 3.501 -16.740 305 1HG2 THR 40 2HG2 THR 40 12.050 2.094 -18.505 306 2HG2 THR 40 1HG2 THR 40 12.856 3.631 -18.820 307 3HG2 THR 40 3HG2 THR 40 13.081 2.274 -19.924 308 H TYR 41 HN TYR 41 16.535 0.637 -19.152 309 HA TYR 41 HA TYR 41 15.798 0.148 -21.838 310 1HB TYR 41 HB2 TYR 41 18.560 -0.437 -20.818 311 2HB TYR 41 HB1 TYR 41 18.071 0.257 -22.358 312 HD1 TYR 41 HD1 TYR 41 19.823 1.038 -19.588 313 HD2 TYR 41 HD2 TYR 41 16.505 2.545 -21.787 314 HE1 TYR 41 HE1 TYR 41 20.256 3.286 -18.692 315 HE2 TYR 41 HE2 TYR 41 16.932 4.797 -20.898 316 HH TYR 41 HH TYR 41 19.436 5.917 -19.837 317 H LEU 42 HN LEU 42 17.102 -1.988 -19.309 318 HA LEU 42 HA LEU 42 17.185 -4.277 -21.052 319 1HB LEU 42 HB2 LEU 42 17.591 -3.942 -18.089 320 2HB LEU 42 HB1 LEU 42 17.669 -5.502 -18.884 321 HG LEU 42 HG LEU 42 19.417 -4.056 -20.397 322 1HD1 LEU 42 3HD1 LEU 42 19.525 -3.001 -17.583 323 2HD1 LEU 42 2HD1 LEU 42 20.888 -2.923 -18.698 324 3HD1 LEU 42 1HD1 LEU 42 19.385 -2.086 -19.083 325 1HD2 LEU 42 2HD2 LEU 42 20.004 -5.618 -17.885 326 2HD2 LEU 42 1HD2 LEU 42 19.795 -6.285 -19.504 327 3HD2 LEU 42 3HD2 LEU 42 21.170 -5.238 -19.153 328 HA PRO 43 HA PRO 43 13.067 -5.720 -20.138 329 1HB PRO 43 HB2 PRO 43 13.118 -7.960 -21.572 330 2HB PRO 43 HB1 PRO 43 13.269 -6.383 -22.356 331 1HG PRO 43 HG2 PRO 43 15.360 -8.424 -21.788 332 2HG PRO 43 HG1 PRO 43 15.221 -7.305 -23.154 333 1HD PRO 43 HD2 PRO 43 16.813 -6.973 -20.834 334 2HD PRO 43 HD1 PRO 43 16.499 -5.764 -22.093 335 H ALA 44 HN ALA 44 15.308 -6.442 -18.187 336 HA ALA 44 HA ALA 44 15.065 -9.152 -17.432 337 1HB ALA 44 HB2 ALA 44 15.837 -6.847 -15.653 338 2HB ALA 44 HB1 ALA 44 16.250 -8.549 -15.443 339 3HB ALA 44 HB3 ALA 44 16.931 -7.636 -16.790 340 H VAL 45 HN VAL 45 12.919 -6.536 -17.014 341 HA VAL 45 HA VAL 45 11.677 -6.663 -14.667 342 HB VAL 45 HB VAL 45 10.217 -6.690 -17.312 343 1HG1 VAL 45 3HG1 VAL 45 9.333 -5.934 -14.539 344 2HG1 VAL 45 2HG1 VAL 45 8.502 -5.377 -15.991 345 3HG1 VAL 45 1HG1 VAL 45 8.602 -7.102 -15.639 346 1HG2 VAL 45 3HG2 VAL 45 11.533 -4.521 -15.716 347 2HG2 VAL 45 2HG2 VAL 45 11.673 -4.877 -17.438 348 3HG2 VAL 45 1HG2 VAL 45 10.191 -4.161 -16.804 349 H ASP 46 HN ASP 46 10.650 -8.860 -17.304 350 HA ASP 46 HA ASP 46 9.101 -10.467 -15.516 351 1HB ASP 46 HB2 ASP 46 8.675 -10.085 -18.004 352 2HB ASP 46 HB1 ASP 46 9.951 -11.264 -18.294 353 H GLU 47 HN GLU 47 12.383 -10.647 -16.749 354 HA GLU 47 HA GLU 47 12.822 -13.403 -16.186 355 1HB GLU 47 HB2 GLU 47 14.297 -12.222 -17.694 356 2HB GLU 47 HB1 GLU 47 14.743 -11.079 -16.438 357 1HG GLU 47 HG2 GLU 47 15.293 -13.993 -16.071 358 2HG GLU 47 HG1 GLU 47 16.354 -13.010 -17.077 359 H LYS 48 HN LYS 48 13.711 -10.458 -14.367 360 HA LYS 48 HA LYS 48 14.772 -11.785 -12.130 361 1HB LYS 48 HB2 LYS 48 14.654 -9.193 -12.913 362 2HB LYS 48 HB1 LYS 48 13.443 -9.191 -11.638 363 1HG LYS 48 HG2 LYS 48 15.454 -8.583 -10.599 364 2HG LYS 48 HG1 LYS 48 15.197 -10.273 -10.162 365 1HD LYS 48 HD2 LYS 48 16.732 -9.881 -12.632 366 2HD LYS 48 HD1 LYS 48 17.514 -9.248 -11.182 367 1HE LYS 48 HE2 LYS 48 16.335 -11.996 -11.167 368 2HE LYS 48 HE1 LYS 48 17.911 -11.721 -11.907 369 1HZ LYS 48 HZ1 LYS 48 17.192 -11.027 -9.107 370 2HZ LYS 48 HZ3 LYS 48 18.085 -12.386 -9.578 371 3HZ LYS 48 HZ2 LYS 48 18.714 -10.835 -9.822 372 H LEU 49 HN LEU 49 11.494 -11.154 -13.084 373 HA LEU 49 HA LEU 49 10.229 -11.358 -10.572 374 1HB LEU 49 HB2 LEU 49 9.429 -11.047 -13.263 375 2HB LEU 49 HB1 LEU 49 8.610 -12.481 -12.674 376 HG LEU 49 HG LEU 49 8.008 -10.900 -10.641 377 1HD1 LEU 49 3HD1 LEU 49 9.374 -9.028 -11.510 378 2HD1 LEU 49 2HD1 LEU 49 8.302 -8.935 -12.907 379 3HD1 LEU 49 1HD1 LEU 49 7.675 -8.608 -11.292 380 1HD2 LEU 49 2HD2 LEU 49 6.644 -10.784 -13.329 381 2HD2 LEU 49 1HD2 LEU 49 6.395 -12.009 -12.085 382 3HD2 LEU 49 3HD2 LEU 49 5.915 -10.340 -11.786 383 H ARG 50 HN ARG 50 10.407 -13.799 -13.176 384 HA ARG 50 HA ARG 50 9.635 -15.958 -11.531 385 1HB ARG 50 HB2 ARG 50 10.488 -17.397 -13.363 386 2HB ARG 50 HB1 ARG 50 9.411 -16.129 -13.932 387 1HG ARG 50 HG2 ARG 50 10.977 -15.254 -15.247 388 2HG ARG 50 HG1 ARG 50 12.195 -15.307 -13.973 389 1HD ARG 50 HD2 ARG 50 11.345 -17.742 -15.519 390 2HD ARG 50 HD1 ARG 50 12.665 -16.696 -16.038 391 HE ARG 50 HE ARG 50 13.286 -17.319 -13.461 392 1HH1 ARG 50 1HH1 ARG 50 12.580 -19.210 -16.322 393 2HH1 ARG 50 2HH1 ARG 50 13.569 -20.543 -15.833 394 1HH2 ARG 50 1HH2 ARG 50 14.587 -19.077 -12.822 395 2HH2 ARG 50 2HH2 ARG 50 14.709 -20.469 -13.847 396 H ASP 51 HN ASP 51 12.713 -14.430 -12.172 397 HA ASP 51 HA ASP 51 14.479 -16.422 -11.351 398 1HB ASP 51 HB2 ASP 51 15.102 -14.224 -12.397 399 2HB ASP 51 HB1 ASP 51 14.819 -13.463 -10.836 400 H LEU 52 HN LEU 52 13.116 -13.781 -9.377 401 HA LEU 52 HA LEU 52 14.148 -14.767 -6.928 402 1HB LEU 52 HB2 LEU 52 12.213 -12.669 -7.746 403 2HB LEU 52 HB1 LEU 52 12.115 -13.237 -6.090 404 HG LEU 52 HG LEU 52 14.603 -12.721 -5.910 405 1HD1 LEU 52 1HD1 LEU 52 15.038 -12.584 -8.324 406 2HD1 LEU 52 3HD1 LEU 52 14.020 -11.148 -8.415 407 3HD1 LEU 52 2HD1 LEU 52 15.512 -11.112 -7.476 408 1HD2 LEU 52 2HD2 LEU 52 12.862 -11.342 -4.887 409 2HD2 LEU 52 1HD2 LEU 52 14.196 -10.355 -5.481 410 3HD2 LEU 52 3HD2 LEU 52 12.688 -10.440 -6.393 411 H TYR 53 HN TYR 53 11.289 -15.515 -8.773 412 HA TYR 53 HA TYR 53 9.727 -16.604 -6.671 413 1HB TYR 53 HB2 TYR 53 9.681 -16.991 -9.663 414 2HB TYR 53 HB1 TYR 53 8.562 -17.829 -8.596 415 HD1 TYR 53 HD1 TYR 53 7.947 -15.815 -10.854 416 HD2 TYR 53 HD2 TYR 53 8.329 -15.393 -6.638 417 HE1 TYR 53 HE1 TYR 53 6.447 -13.869 -10.919 418 HE2 TYR 53 HE2 TYR 53 6.829 -13.446 -6.691 419 HH TYR 53 HH TYR 53 4.798 -12.743 -8.749 420 H SER 54 HN SER 54 11.910 -18.113 -9.055 421 HA SER 54 HA SER 54 11.564 -20.764 -8.194 422 1HB SER 54 HB2 SER 54 13.750 -21.198 -9.327 423 2HB SER 54 HB1 SER 54 12.607 -20.307 -10.330 424 HG SER 54 HG SER 54 13.863 -18.597 -10.264 425 H LYS 55 HN LYS 55 14.010 -18.341 -7.282 426 HA LYS 55 HA LYS 55 15.438 -19.962 -5.479 427 1HB LYS 55 HB2 LYS 55 15.192 -17.029 -5.956 428 2HB LYS 55 HB1 LYS 55 15.914 -17.553 -4.440 429 1HG LYS 55 HG2 LYS 55 17.777 -17.377 -5.741 430 2HG LYS 55 HG1 LYS 55 17.361 -19.069 -6.024 431 1HD LYS 55 HD2 LYS 55 16.136 -18.363 -8.072 432 2HD LYS 55 HD1 LYS 55 16.723 -16.720 -7.808 433 1HE LYS 55 HE2 LYS 55 18.682 -18.968 -7.908 434 2HE LYS 55 HE1 LYS 55 17.993 -18.363 -9.414 435 1HZ LYS 55 HZ2 LYS 55 18.761 -16.133 -8.792 436 2HZ LYS 55 HZ1 LYS 55 19.485 -16.768 -7.400 437 3HZ LYS 55 HZ3 LYS 55 20.043 -17.228 -8.930 438 H SER 56 HN SER 56 12.714 -17.738 -4.987 439 HA SER 56 HA SER 56 12.558 -17.957 -2.189 440 1HB SER 56 HB2 SER 56 10.618 -17.136 -4.322 441 2HB SER 56 HB1 SER 56 10.076 -17.296 -2.652 442 HG SER 56 HG SER 56 10.759 -15.191 -3.001 443 H THR 57 HN THR 57 11.699 -20.297 -4.585 444 HA THR 57 HA THR 57 9.547 -21.579 -3.364 445 HB THR 57 HB THR 57 11.770 -22.903 -4.932 446 HG1 THR 57 HG1 THR 57 9.421 -21.586 -5.822 447 1HG2 THR 57 1HG2 THR 57 8.896 -23.687 -4.517 448 2HG2 THR 57 3HG2 THR 57 9.981 -24.422 -5.698 449 3HG2 THR 57 2HG2 THR 57 10.330 -24.560 -3.975 450 H ALA 58 HN ALA 58 13.042 -22.189 -2.986 451 HA ALA 58 HA ALA 58 12.534 -24.054 -0.812 452 1HB ALA 58 HB3 ALA 58 14.274 -24.596 -2.424 453 2HB ALA 58 HB2 ALA 58 15.138 -23.115 -2.012 454 3HB ALA 58 HB1 ALA 58 14.958 -24.395 -0.811 455 H ALA 59 HN ALA 59 14.073 -20.884 -1.282 456 HA ALA 59 HA ALA 59 14.936 -20.497 1.363 457 1HB ALA 59 HB1 ALA 59 15.051 -18.096 0.756 458 2HB ALA 59 HB2 ALA 59 14.238 -18.477 -0.762 459 3HB ALA 59 HB3 ALA 59 15.829 -19.158 -0.419 460 H MET 60 HN MET 60 12.122 -18.961 -0.230 461 HA MET 60 HA MET 60 11.033 -17.897 2.125 462 1HB MET 60 HB2 MET 60 10.514 -17.378 -0.375 463 2HB MET 60 HB1 MET 60 9.302 -18.640 -0.206 464 1HG MET 60 HG2 MET 60 8.380 -16.399 0.132 465 2HG MET 60 HG1 MET 60 8.212 -17.418 1.559 466 1HE MET 60 HE2 MET 60 8.873 -16.841 3.781 467 2HE MET 60 HE1 MET 60 9.374 -15.213 4.238 468 3HE MET 60 HE3 MET 60 7.860 -15.459 3.366 469 H SER 61 HN SER 61 10.992 -21.149 0.994 470 HA SER 61 HA SER 61 8.533 -21.994 2.120 471 1HB SER 61 HB2 SER 61 10.796 -23.228 0.811 472 2HB SER 61 HB1 SER 61 10.281 -24.192 2.194 473 HG SER 61 HG SER 61 8.406 -24.583 1.249 474 H THR 62 HN THR 62 11.525 -21.150 3.578 475 HA THR 62 HA THR 62 10.916 -22.638 6.025 476 HB THR 62 HB THR 62 13.156 -21.926 6.782 477 HG1 THR 62 HG1 THR 62 13.813 -20.153 5.859 478 1HG2 THR 62 3HG2 THR 62 12.949 -23.999 5.451 479 2HG2 THR 62 2HG2 THR 62 13.321 -23.062 4.004 480 3HG2 THR 62 1HG2 THR 62 14.516 -23.207 5.293 481 H TYR 63 HN TYR 63 11.645 -19.321 4.960 482 HA TYR 63 HA TYR 63 11.077 -18.075 7.413 483 1HB TYR 63 HB2 TYR 63 10.923 -16.860 4.647 484 2HB TYR 63 HB1 TYR 63 11.097 -15.990 6.166 485 HD1 TYR 63 HD1 TYR 63 12.817 -17.330 3.405 486 HD2 TYR 63 HD2 TYR 63 13.224 -16.636 7.582 487 HE1 TYR 63 HE1 TYR 63 15.261 -17.452 3.181 488 HE2 TYR 63 HE2 TYR 63 15.670 -16.754 7.370 489 HH TYR 63 HH TYR 63 17.274 -18.081 5.290 490 H THR 64 HN THR 64 9.029 -19.363 4.944 491 HA THR 64 HA THR 64 6.782 -17.690 5.445 492 HB THR 64 HB THR 64 7.164 -20.315 4.051 493 HG1 THR 64 HG1 THR 64 7.119 -19.039 2.405 494 1HG2 THR 64 2HG2 THR 64 4.516 -19.126 4.801 495 2HG2 THR 64 1HG2 THR 64 4.724 -20.148 3.378 496 3HG2 THR 64 3HG2 THR 64 5.070 -20.790 4.984 497 H GLY 65 HN GLY 65 7.356 -21.091 6.337 498 1HA GLY 65 HA1 GLY 65 6.632 -22.304 8.151 499 2HA GLY 65 HA2 GLY 65 5.241 -21.226 8.200 500 H ILE 66 HN ILE 66 8.635 -20.316 8.502 501 HA ILE 66 HA ILE 66 8.736 -20.158 11.324 502 HB ILE 66 HB ILE 66 10.397 -18.865 9.166 503 1HG1 ILE 66 2HG1 ILE 66 10.629 -21.308 9.563 504 2HG1 ILE 66 1HG1 ILE 66 12.108 -20.417 9.906 505 1HG2 ILE 66 3HG2 ILE 66 10.552 -18.468 12.134 506 2HG2 ILE 66 2HG2 ILE 66 11.981 -18.317 11.110 507 3HG2 ILE 66 1HG2 ILE 66 10.592 -17.262 10.849 508 1HD1 ILE 66 3HD1 ILE 66 11.575 -20.507 12.304 509 2HD1 ILE 66 2HD1 ILE 66 10.136 -21.457 11.929 510 3HD1 ILE 66 1HD1 ILE 66 11.738 -22.108 11.582 511 H PHE 67 HN PHE 67 8.438 -17.562 8.889 512 HA PHE 67 HA PHE 67 8.026 -15.417 10.587 513 1HB PHE 67 HB2 PHE 67 8.320 -15.096 8.198 514 2HB PHE 67 HB1 PHE 67 6.793 -15.905 7.867 515 HD1 PHE 67 HD1 PHE 67 4.762 -14.724 7.898 516 HD2 PHE 67 HD2 PHE 67 8.299 -12.895 9.399 517 HE1 PHE 67 HE1 PHE 67 3.591 -12.563 8.016 518 HE2 PHE 67 HE2 PHE 67 7.134 -10.731 9.521 519 HZ PHE 67 HZ PHE 67 4.777 -10.564 8.828 520 H THR 68 HN THR 68 5.473 -17.373 9.043 521 HA THR 68 HA THR 68 3.345 -16.197 10.462 522 HB THR 68 HB THR 68 2.004 -18.116 9.669 523 HG1 THR 68 HG1 THR 68 3.219 -19.866 9.628 524 1HG2 THR 68 3HG2 THR 68 2.379 -16.281 8.110 525 2HG2 THR 68 2HG2 THR 68 3.854 -17.062 7.544 526 3HG2 THR 68 1HG2 THR 68 2.291 -17.835 7.279 527 H ASP 69 HN ASP 69 5.643 -18.556 11.412 528 HA ASP 69 HA ASP 69 4.185 -20.054 13.269 529 1HB ASP 69 HB2 ASP 69 6.853 -19.907 12.506 530 2HB ASP 69 HB1 ASP 69 6.883 -19.452 14.205 531 H GLN 70 HN GLN 70 6.228 -17.197 13.939 532 HA GLN 70 HA GLN 70 5.259 -16.893 16.596 533 1HB GLN 70 HB2 GLN 70 7.471 -16.041 15.538 534 2HB GLN 70 HB1 GLN 70 6.510 -14.661 15.024 535 1HG GLN 70 HG2 GLN 70 5.974 -14.124 17.307 536 2HG GLN 70 HG1 GLN 70 6.787 -15.581 17.876 537 1HE2 GLN 70 1HE2 GLN 70 7.262 -12.446 16.365 538 2HE2 GLN 70 2HE2 GLN 70 8.924 -12.277 16.807 539 H VAL 71 HN VAL 71 4.127 -15.799 13.510 540 HA VAL 71 HA VAL 71 2.552 -13.604 14.395 541 HB VAL 71 HB VAL 71 2.268 -15.342 11.928 542 1HG1 VAL 71 1HG1 VAL 71 0.826 -12.836 12.756 543 2HG1 VAL 71 3HG1 VAL 71 0.948 -13.345 11.072 544 3HG1 VAL 71 2HG1 VAL 71 0.142 -14.381 12.250 545 1HG2 VAL 71 2HG2 VAL 71 4.319 -13.724 12.433 546 2HG2 VAL 71 1HG2 VAL 71 3.638 -13.903 10.817 547 3HG2 VAL 71 3HG2 VAL 71 3.185 -12.522 11.816 548 H LEU 72 HN LEU 72 1.749 -16.943 13.514 549 HA LEU 72 HA LEU 72 -0.933 -16.926 14.307 550 1HB LEU 72 HB2 LEU 72 1.108 -18.975 13.724 551 2HB LEU 72 HB1 LEU 72 -0.166 -19.499 14.807 552 HG LEU 72 HG LEU 72 -0.689 -20.093 12.507 553 1HD1 LEU 72 1HD1 LEU 72 -2.483 -19.418 14.133 554 2HD1 LEU 72 3HD1 LEU 72 -2.501 -17.842 13.343 555 3HD1 LEU 72 2HD1 LEU 72 -2.916 -19.291 12.429 556 1HD2 LEU 72 3HD2 LEU 72 -0.560 -17.128 11.963 557 2HD2 LEU 72 2HD2 LEU 72 0.556 -18.353 11.357 558 3HD2 LEU 72 1HD2 LEU 72 -1.127 -18.357 10.831 559 H SER 73 HN SER 73 2.066 -17.340 16.070 560 HA SER 73 HA SER 73 1.050 -18.335 18.477 561 1HB SER 73 HB2 SER 73 3.519 -17.967 17.712 562 2HB SER 73 HB1 SER 73 3.327 -16.378 18.449 563 HG SER 73 HG SER 73 3.257 -17.265 20.384 564 H VAL 74 HN VAL 74 1.283 -15.016 17.293 565 HA VAL 74 HA VAL 74 0.395 -13.852 19.754 566 HB VAL 74 HB VAL 74 0.308 -11.769 18.671 567 1HG1 VAL 74 3HG1 VAL 74 2.563 -13.166 18.662 568 2HG1 VAL 74 2HG1 VAL 74 2.400 -12.931 16.922 569 3HG1 VAL 74 1HG1 VAL 74 2.462 -11.535 17.998 570 1HG2 VAL 74 1HG2 VAL 74 -0.732 -13.217 16.471 571 2HG2 VAL 74 3HG2 VAL 74 -0.636 -11.470 16.686 572 3HG2 VAL 74 2HG2 VAL 74 0.685 -12.336 15.904 573 H LEU 75 HN LEU 75 -1.199 -15.518 17.236 574 HA LEU 75 HA LEU 75 -3.732 -14.263 17.305 575 1HB LEU 75 HB2 LEU 75 -2.716 -16.070 15.677 576 2HB LEU 75 HB1 LEU 75 -3.466 -17.192 16.796 577 HG LEU 75 HG LEU 75 -5.546 -15.519 16.324 578 1HD1 LEU 75 3HD1 LEU 75 -4.266 -14.213 14.694 579 2HD1 LEU 75 2HD1 LEU 75 -4.007 -15.671 13.737 580 3HD1 LEU 75 1HD1 LEU 75 -5.638 -15.034 13.947 581 1HD2 LEU 75 1HD2 LEU 75 -5.580 -17.959 16.221 582 2HD2 LEU 75 3HD2 LEU 75 -6.383 -17.249 14.820 583 3HD2 LEU 75 2HD2 LEU 75 -4.755 -17.910 14.663 584 H LYS 76 HN LYS 76 -2.239 -16.796 19.179 585 HA LYS 76 HA LYS 76 -4.574 -17.552 20.632 586 1HB LYS 76 HB2 LYS 76 -1.637 -17.967 21.214 587 2HB LYS 76 HB1 LYS 76 -2.935 -18.668 22.170 588 1HG LYS 76 HG2 LYS 76 -2.818 -20.420 20.814 589 2HG LYS 76 HG1 LYS 76 -3.570 -19.400 19.585 590 1HD LYS 76 HD2 LYS 76 -1.343 -18.701 18.820 591 2HD LYS 76 HD1 LYS 76 -0.605 -19.745 20.035 592 1HE LYS 76 HE2 LYS 76 -1.003 -21.624 18.850 593 2HE LYS 76 HE1 LYS 76 -2.566 -21.051 18.270 594 1HZ LYS 76 HZ2 LYS 76 0.053 -20.114 17.229 595 2HZ LYS 76 HZ1 LYS 76 -0.894 -21.308 16.498 596 3HZ LYS 76 HZ3 LYS 76 -1.476 -19.724 16.620 597 H GLY 77 HN GLY 77 -1.852 -15.365 21.308 598 1HA GLY 77 HA1 GLY 77 -1.491 -14.158 23.321 599 2HA GLY 77 HA2 GLY 77 -3.128 -14.549 23.821 600 H GLU 78 HN GLU 78 -4.535 -13.734 21.529 601 HA GLU 78 HA GLU 78 -4.804 -10.969 22.023 602 1HB GLU 78 HB2 GLU 78 -2.671 -11.260 20.473 603 2HB GLU 78 HB1 GLU 78 -3.887 -11.381 19.210 604 1HG GLU 78 HG2 GLU 78 -3.949 -9.109 21.149 605 2HG GLU 78 HG1 GLU 78 -2.846 -9.084 19.773 606 H GLU 79 HN GLU 79 -5.135 -13.149 19.208 607 HA GLU 79 HA GLU 79 -6.924 -13.818 17.987 608 1HB GLU 79 HB2 GLU 79 -7.739 -14.003 20.603 609 2HB GLU 79 HB1 GLU 79 -9.004 -13.010 19.894 610 1HG GLU 79 HG2 GLU 79 -9.681 -15.290 19.775 611 2HG GLU 79 HG1 GLU 79 -9.307 -14.741 18.143 No H/Q in entry = 611 Start of MODEL 17 1 H1 THR 1 HT1 THR 1 6.134 14.713 36.540 2 H2 THR 1 HT3 THR 1 4.564 14.804 35.856 3 H3 THR 1 HT2 THR 1 4.849 13.803 37.222 4 HA THR 1 HA THR 1 6.257 12.395 35.965 5 HB THR 1 HB THR 1 3.641 12.942 34.541 6 HG1 THR 1 HG1 THR 1 2.876 12.540 36.457 7 1HG2 THR 1 1HG2 THR 1 5.246 10.415 34.823 8 2HG2 THR 1 3HG2 THR 1 3.589 10.494 34.220 9 3HG2 THR 1 2HG2 THR 1 4.889 11.293 33.336 10 H GLN 2 HN GLN 2 7.868 12.432 34.550 11 HA GLN 2 HA GLN 2 7.522 13.842 32.002 12 1HB GLN 2 HB2 GLN 2 9.812 14.205 33.931 13 2HB GLN 2 HB1 GLN 2 9.923 14.642 32.231 14 1HG GLN 2 HG2 GLN 2 8.243 16.301 32.461 15 2HG GLN 2 HG1 GLN 2 7.823 15.740 34.078 16 1HE2 GLN 2 1HE2 GLN 2 9.709 15.796 35.657 17 2HE2 GLN 2 2HE2 GLN 2 10.701 17.210 35.610 18 H GLN 3 HN GLN 3 8.373 12.811 30.270 19 HA GLN 3 HA GLN 3 9.256 10.111 30.619 20 1HB GLN 3 HB2 GLN 3 7.838 11.089 28.696 21 2HB GLN 3 HB1 GLN 3 9.372 11.607 28.014 22 1HG GLN 3 HG2 GLN 3 8.717 9.522 27.027 23 2HG GLN 3 HG1 GLN 3 10.144 9.271 28.032 24 1HE2 GLN 3 1HE2 GLN 3 10.036 7.897 29.739 25 2HE2 GLN 3 2HE2 GLN 3 8.633 6.982 30.157 26 HA PRO 4 HA PRO 4 13.457 11.736 29.014 27 1HB PRO 4 HB2 PRO 4 13.507 14.607 28.914 28 2HB PRO 4 HB1 PRO 4 13.613 13.465 27.576 29 1HG PRO 4 HG2 PRO 4 11.492 15.164 28.007 30 2HG PRO 4 HG1 PRO 4 11.398 13.657 27.081 31 1HD PRO 4 HD2 PRO 4 10.581 14.204 29.906 32 2HD PRO 4 HD1 PRO 4 9.787 13.199 28.674 33 H GLN 5 HN GLN 5 12.067 14.169 31.231 34 HA GLN 5 HA GLN 5 14.500 14.581 32.651 35 1HB GLN 5 HB2 GLN 5 11.644 15.363 33.129 36 2HB GLN 5 HB1 GLN 5 12.867 15.653 34.355 37 1HG GLN 5 HG2 GLN 5 12.559 17.639 33.048 38 2HG GLN 5 HG1 GLN 5 14.156 16.970 32.724 39 1HE2 GLN 5 1HE2 GLN 5 10.829 16.823 31.479 40 2HE2 GLN 5 2HE2 GLN 5 11.276 16.795 29.811 41 H GLN 6 HN GLN 6 11.437 13.095 33.776 42 HA GLN 6 HA GLN 6 12.616 12.020 36.115 43 1HB GLN 6 HB2 GLN 6 9.994 12.099 34.913 44 2HB GLN 6 HB1 GLN 6 10.327 10.492 35.546 45 1HG GLN 6 HG2 GLN 6 10.079 11.163 37.645 46 2HG GLN 6 HG1 GLN 6 11.109 12.572 37.403 47 1HE2 GLN 6 1HE2 GLN 6 8.110 11.658 38.281 48 2HE2 GLN 6 2HE2 GLN 6 7.221 13.073 37.844 49 H ASP 7 HN ASP 7 11.276 10.214 33.324 50 HA ASP 7 HA ASP 7 12.661 7.830 34.047 51 1HB ASP 7 HB2 ASP 7 10.695 7.413 32.866 52 2HB ASP 7 HB1 ASP 7 11.014 8.675 31.684 53 H GLU 8 HN GLU 8 14.724 7.341 33.703 54 HA GLU 8 HA GLU 8 16.454 9.044 32.214 55 1HB GLU 8 HB2 GLU 8 16.756 6.515 33.760 56 2HB GLU 8 HB1 GLU 8 18.022 6.923 32.611 57 1HG GLU 8 HG2 GLU 8 18.455 7.683 34.936 58 2HG GLU 8 HG1 GLU 8 18.494 8.967 33.730 59 H MET 9 HN MET 9 17.588 8.631 30.299 60 HA MET 9 HA MET 9 16.117 7.267 28.290 61 1HB MET 9 HB2 MET 9 18.518 8.941 28.423 62 2HB MET 9 HB1 MET 9 18.598 7.705 27.177 63 1HG MET 9 HG2 MET 9 17.415 9.026 25.864 64 2HG MET 9 HG1 MET 9 16.047 8.826 26.958 65 1HE MET 9 HE2 MET 9 15.248 10.289 28.586 66 2HE MET 9 HE1 MET 9 16.635 10.659 29.611 67 3HE MET 9 HE3 MET 9 15.713 11.966 28.868 68 HA PRO 10 HA PRO 10 17.971 3.254 29.066 69 1HB PRO 10 HB2 PRO 10 16.469 1.855 27.327 70 2HB PRO 10 HB1 PRO 10 15.815 2.454 28.855 71 1HG PRO 10 HG2 PRO 10 15.535 3.590 26.101 72 2HG PRO 10 HG1 PRO 10 14.307 3.408 27.367 73 1HD PRO 10 HD2 PRO 10 15.606 5.756 26.847 74 2HD PRO 10 HD1 PRO 10 14.954 5.327 28.441 75 H SER 11 HN SER 11 18.630 1.378 27.430 76 HA SER 11 HA SER 11 20.686 2.472 25.774 77 1HB SER 11 HB2 SER 11 21.210 0.109 25.252 78 2HB SER 11 HB1 SER 11 21.035 0.374 26.987 79 HG SER 11 HG SER 11 19.928 -1.518 26.029 80 HA PRO 12 HA PRO 12 18.751 2.742 21.824 81 1HB PRO 12 HB2 PRO 12 20.671 1.696 20.169 82 2HB PRO 12 HB1 PRO 12 20.740 3.321 20.858 83 1HG PRO 12 HG2 PRO 12 22.094 0.816 21.774 84 2HG PRO 12 HG1 PRO 12 22.740 2.464 21.668 85 1HD PRO 12 HD2 PRO 12 21.942 1.403 24.006 86 2HD PRO 12 HD1 PRO 12 21.720 3.126 23.637 87 H THR 13 HN THR 13 17.025 1.353 21.872 88 HA THR 13 HA THR 13 17.262 -1.485 21.705 89 HB THR 13 HB THR 13 14.787 -1.408 21.337 90 HG1 THR 13 HG1 THR 13 14.256 0.407 20.368 91 1HG2 THR 13 3HG2 THR 13 15.719 -1.366 23.629 92 2HG2 THR 13 2HG2 THR 13 15.640 0.396 23.584 93 3HG2 THR 13 1HG2 THR 13 14.159 -0.556 23.477 94 H PHE 14 HN PHE 14 15.678 -2.517 19.896 95 HA PHE 14 HA PHE 14 17.102 -2.510 17.509 96 1HB PHE 14 HB2 PHE 14 15.337 -3.857 16.583 97 2HB PHE 14 HB1 PHE 14 15.534 -4.308 18.272 98 HD1 PHE 14 HD1 PHE 14 13.859 -3.570 19.947 99 HD2 PHE 14 HD2 PHE 14 13.306 -2.942 15.773 100 HE1 PHE 14 HE1 PHE 14 11.462 -3.175 20.327 101 HE2 PHE 14 HE2 PHE 14 10.907 -2.546 16.147 102 HZ PHE 14 HZ PHE 14 9.983 -2.662 18.427 103 H LEU 15 HN LEU 15 14.209 -0.672 18.407 104 HA LEU 15 HA LEU 15 13.653 0.425 15.876 105 1HB LEU 15 HB2 LEU 15 12.399 0.475 18.260 106 2HB LEU 15 HB1 LEU 15 13.105 2.081 18.271 107 HG LEU 15 HG LEU 15 12.021 2.324 15.925 108 1HD1 LEU 15 3HD1 LEU 15 11.407 -0.016 15.648 109 2HD1 LEU 15 2HD1 LEU 15 10.377 0.075 17.076 110 3HD1 LEU 15 1HD1 LEU 15 9.977 1.017 15.640 111 1HD2 LEU 15 3HD2 LEU 15 11.352 3.590 17.901 112 2HD2 LEU 15 2HD2 LEU 15 9.949 3.120 16.942 113 3HD2 LEU 15 1HD2 LEU 15 10.336 2.247 18.425 114 H THR 16 HN THR 16 15.664 1.593 18.559 115 HA THR 16 HA THR 16 16.346 4.094 17.519 116 HB THR 16 HB THR 16 18.034 2.268 19.247 117 HG1 THR 16 HG1 THR 16 16.217 2.642 20.372 118 1HG2 THR 16 2HG2 THR 16 18.215 5.217 18.721 119 2HG2 THR 16 1HG2 THR 16 18.919 4.446 20.142 120 3HG2 THR 16 3HG2 THR 16 19.469 3.991 18.529 121 H GLN 17 HN GLN 17 17.816 0.912 16.993 122 HA GLN 17 HA GLN 17 20.061 1.758 15.532 123 1HB GLN 17 HB2 GLN 17 19.606 -0.548 16.515 124 2HB GLN 17 HB1 GLN 17 18.610 -0.850 15.098 125 1HG GLN 17 HG2 GLN 17 21.413 0.084 14.722 126 2HG GLN 17 HG1 GLN 17 21.116 -1.594 15.172 127 1HE2 GLN 17 1HE2 GLN 17 21.476 0.494 12.628 128 2HE2 GLN 17 2HE2 GLN 17 20.741 -0.453 11.385 129 H VAL 18 HN VAL 18 16.851 0.702 14.438 130 HA VAL 18 HA VAL 18 16.866 0.531 11.810 131 HB VAL 18 HB VAL 18 14.935 2.320 13.290 132 1HG1 VAL 18 1HG1 VAL 18 14.860 1.148 10.525 133 2HG1 VAL 18 3HG1 VAL 18 13.394 1.617 11.384 134 3HG1 VAL 18 2HG1 VAL 18 14.625 2.826 11.018 135 1HG2 VAL 18 1HG2 VAL 18 15.060 -0.633 12.794 136 2HG2 VAL 18 3HG2 VAL 18 14.762 0.233 14.301 137 3HG2 VAL 18 2HG2 VAL 18 13.515 0.176 13.057 138 H LYS 19 HN LYS 19 16.986 3.746 13.371 139 HA LYS 19 HA LYS 19 16.960 5.341 11.127 140 1HB LYS 19 HB2 LYS 19 17.072 5.922 13.686 141 2HB LYS 19 HB1 LYS 19 18.797 6.053 13.376 142 1HG LYS 19 HG2 LYS 19 17.977 8.225 13.143 143 2HG LYS 19 HG1 LYS 19 18.178 7.643 11.489 144 1HD LYS 19 HD2 LYS 19 15.569 6.930 12.329 145 2HD LYS 19 HD1 LYS 19 15.822 8.617 12.778 146 1HE LYS 19 HE2 LYS 19 15.045 8.861 10.634 147 2HE LYS 19 HE1 LYS 19 16.782 8.798 10.345 148 1HZ LYS 19 HZ3 LYS 19 15.110 6.360 10.238 149 2HZ LYS 19 HZ2 LYS 19 15.287 7.365 8.890 150 3HZ LYS 19 HZ1 LYS 19 16.644 6.618 9.570 151 H GLU 20 HN GLU 20 19.836 3.932 12.686 152 HA GLU 20 HA GLU 20 21.706 4.998 10.862 153 1HB GLU 20 HB2 GLU 20 21.870 2.537 12.609 154 2HB GLU 20 HB1 GLU 20 23.230 3.217 11.728 155 1HG GLU 20 HG2 GLU 20 23.609 4.219 13.708 156 2HG GLU 20 HG1 GLU 20 22.472 5.399 13.060 157 H SER 21 HN SER 21 19.663 2.186 10.781 158 HA SER 21 HA SER 21 20.957 0.731 8.743 159 1HB SER 21 HB2 SER 21 18.861 0.195 10.345 160 2HB SER 21 HB1 SER 21 17.990 0.621 8.872 161 HG SER 21 HG SER 21 18.804 -1.091 7.870 162 H LEU 22 HN LEU 22 18.565 3.329 8.653 163 HA LEU 22 HA LEU 22 18.097 3.201 5.845 164 1HB LEU 22 HB2 LEU 22 17.484 5.163 8.015 165 2HB LEU 22 HB1 LEU 22 17.315 5.667 6.343 166 HG LEU 22 HG LEU 22 15.890 3.419 6.203 167 1HD1 LEU 22 2HD1 LEU 22 15.786 4.238 9.094 168 2HD1 LEU 22 1HD1 LEU 22 14.502 3.313 8.314 169 3HD1 LEU 22 3HD1 LEU 22 16.130 2.645 8.418 170 1HD2 LEU 22 2HD2 LEU 22 15.117 5.663 5.618 171 2HD2 LEU 22 1HD2 LEU 22 13.892 4.779 6.528 172 3HD2 LEU 22 3HD2 LEU 22 14.856 6.021 7.324 173 H SER 23 HN SER 23 20.281 5.084 7.904 174 HA SER 23 HA SER 23 21.249 6.852 5.963 175 1HB SER 23 HB2 SER 23 22.803 5.713 8.300 176 2HB SER 23 HB1 SER 23 23.144 7.218 7.446 177 HG SER 23 HG SER 23 21.242 6.662 9.371 178 H SER 24 HN SER 24 22.647 3.766 7.066 179 HA SER 24 HA SER 24 24.714 3.688 5.143 180 1HB SER 24 HB2 SER 24 24.865 1.267 5.740 181 2HB SER 24 HB1 SER 24 24.855 2.330 7.147 182 HG SER 24 HG SER 24 22.956 1.569 7.726 183 H TYR 25 HN TYR 25 21.341 3.104 4.869 184 HA TYR 25 HA TYR 25 21.494 1.306 2.629 185 1HB TYR 25 HB2 TYR 25 19.538 1.129 3.983 186 2HB TYR 25 HB1 TYR 25 19.224 2.857 3.879 187 HD1 TYR 25 HD1 TYR 25 18.013 3.781 2.043 188 HD2 TYR 25 HD2 TYR 25 19.141 -0.321 2.000 189 HE1 TYR 25 HE1 TYR 25 16.534 3.401 0.116 190 HE2 TYR 25 HE2 TYR 25 17.665 -0.713 0.073 191 HH TYR 25 HH TYR 25 16.671 1.250 -1.914 192 H TRP 26 HN TRP 26 20.802 4.768 3.076 193 HA TRP 26 HA TRP 26 20.318 5.359 0.365 194 1HB TRP 26 HB2 TRP 26 19.816 6.795 2.437 195 2HB TRP 26 HB1 TRP 26 21.491 7.326 2.320 196 HD1 TRP 26 HD1 TRP 26 21.643 9.585 1.148 197 HE1 TRP 26 HE1 TRP 26 20.406 10.764 -0.777 198 HE3 TRP 26 HE3 TRP 26 18.242 5.939 0.011 199 HZ2 TRP 26 HZ2 TRP 26 18.274 10.220 -2.544 200 HZ3 TRP 26 HZ3 TRP 26 16.640 6.347 -1.810 201 HH2 TRP 26 HH2 TRP 26 16.656 8.445 -3.060 202 H GLU 27 HN GLU 27 23.269 5.168 2.242 203 HA GLU 27 HA GLU 27 25.157 6.476 0.815 204 1HB GLU 27 HB2 GLU 27 25.614 5.133 2.836 205 2HB GLU 27 HB1 GLU 27 25.443 3.662 1.890 206 1HG GLU 27 HG2 GLU 27 27.421 5.664 0.963 207 2HG GLU 27 HG1 GLU 27 27.798 4.751 2.423 208 H SER 28 HN SER 28 24.280 3.083 0.164 209 HA SER 28 HA SER 28 25.443 3.278 -2.502 210 1HB SER 28 HB2 SER 28 24.402 0.969 -0.863 211 2HB SER 28 HB1 SER 28 24.848 0.793 -2.561 212 HG SER 28 HG SER 28 26.441 1.063 -0.339 213 H ALA 29 HN ALA 29 22.429 3.825 -1.107 214 HA ALA 29 HA ALA 29 20.654 2.645 -2.938 215 1HB ALA 29 HB1 ALA 29 19.905 3.599 -0.827 216 2HB ALA 29 HB2 ALA 29 19.021 4.297 -2.182 217 3HB ALA 29 HB3 ALA 29 20.308 5.215 -1.403 218 H LYS 30 HN LYS 30 22.528 5.623 -3.135 219 HA LYS 30 HA LYS 30 21.225 6.921 -5.201 220 1HB LYS 30 HB2 LYS 30 23.347 7.573 -3.793 221 2HB LYS 30 HB1 LYS 30 24.217 6.880 -5.155 222 1HG LYS 30 HG2 LYS 30 23.570 8.539 -6.593 223 2HG LYS 30 HG1 LYS 30 22.095 8.897 -5.693 224 1HD LYS 30 HD2 LYS 30 24.621 9.390 -4.254 225 2HD LYS 30 HD1 LYS 30 24.317 10.438 -5.639 226 1HE LYS 30 HE2 LYS 30 23.366 11.569 -3.820 227 2HE LYS 30 HE1 LYS 30 22.001 10.809 -4.638 228 1HZ LYS 30 HZ3 LYS 30 23.351 9.465 -2.381 229 2HZ LYS 30 HZ2 LYS 30 22.156 10.629 -2.105 230 3HZ LYS 30 HZ1 LYS 30 21.784 9.227 -2.975 231 H THR 31 HN THR 31 23.835 4.519 -5.499 232 HA THR 31 HA THR 31 24.102 4.407 -8.237 233 HB THR 31 HB THR 31 24.086 1.938 -6.497 234 HG1 THR 31 HG1 THR 31 25.545 2.922 -5.364 235 1HG2 THR 31 3HG2 THR 31 25.752 2.696 -8.883 236 2HG2 THR 31 2HG2 THR 31 25.955 1.238 -7.912 237 3HG2 THR 31 1HG2 THR 31 24.473 1.484 -8.837 238 H ALA 32 HN ALA 32 21.653 2.959 -6.172 239 HA ALA 32 HA ALA 32 20.363 1.389 -8.127 240 1HB ALA 32 HB2 ALA 32 18.807 2.639 -5.909 241 2HB ALA 32 HB1 ALA 32 18.730 0.999 -6.555 242 3HB ALA 32 HB3 ALA 32 20.077 1.479 -5.522 243 H ALA 33 HN ALA 33 19.872 4.753 -7.072 244 HA ALA 33 HA ALA 33 17.588 5.401 -8.466 245 1HB ALA 33 HB1 ALA 33 18.928 6.870 -6.884 246 2HB ALA 33 HB3 ALA 33 19.920 7.285 -8.282 247 3HB ALA 33 HB2 ALA 33 18.198 7.668 -8.277 248 H GLN 34 HN GLN 34 20.911 5.775 -9.698 249 HA GLN 34 HA GLN 34 20.099 6.463 -12.317 250 1HB GLN 34 HB2 GLN 34 22.518 6.334 -10.957 251 2HB GLN 34 HB1 GLN 34 22.671 5.083 -12.183 252 1HG GLN 34 HG2 GLN 34 21.812 7.887 -12.828 253 2HG GLN 34 HG1 GLN 34 23.502 7.388 -12.795 254 1HE2 GLN 34 1HE2 GLN 34 24.263 5.948 -14.364 255 2HE2 GLN 34 2HE2 GLN 34 23.393 5.651 -15.826 256 H ASN 35 HN ASN 35 20.813 3.412 -10.716 257 HA ASN 35 HA ASN 35 20.788 1.759 -13.000 258 1HB ASN 35 HB2 ASN 35 21.546 1.167 -10.620 259 2HB ASN 35 HB1 ASN 35 19.844 0.868 -10.281 260 1HD2 ASN 35 1HD2 ASN 35 22.446 -0.017 -12.514 261 2HD2 ASN 35 2HD2 ASN 35 21.910 -1.640 -12.766 262 H LEU 36 HN LEU 36 18.240 3.210 -11.182 263 HA LEU 36 HA LEU 36 16.062 1.594 -11.857 264 1HB LEU 36 HB2 LEU 36 16.209 3.676 -10.286 265 2HB LEU 36 HB1 LEU 36 15.848 4.590 -11.738 266 HG LEU 36 HG LEU 36 14.037 2.323 -11.120 267 1HD1 LEU 36 3HD1 LEU 36 14.371 3.287 -8.907 268 2HD1 LEU 36 2HD1 LEU 36 14.005 4.892 -9.539 269 3HD1 LEU 36 1HD1 LEU 36 12.756 3.646 -9.515 270 1HD2 LEU 36 2HD2 LEU 36 13.633 5.157 -12.076 271 2HD2 LEU 36 1HD2 LEU 36 13.672 3.707 -13.079 272 3HD2 LEU 36 3HD2 LEU 36 12.366 3.943 -11.918 273 H TYR 37 HN TYR 37 17.547 4.364 -13.429 274 HA TYR 37 HA TYR 37 15.894 4.407 -15.731 275 1HB TYR 37 HB2 TYR 37 18.573 5.550 -15.030 276 2HB TYR 37 HB1 TYR 37 18.056 5.558 -16.712 277 HD1 TYR 37 HD1 TYR 37 16.276 7.004 -17.457 278 HD2 TYR 37 HD2 TYR 37 17.375 6.873 -13.349 279 HE1 TYR 37 HE1 TYR 37 14.972 9.048 -17.049 280 HE2 TYR 37 HE2 TYR 37 16.075 8.916 -12.930 281 HH TYR 37 HH TYR 37 15.276 11.020 -14.859 282 H GLU 38 HN GLU 38 18.874 2.747 -14.874 283 HA GLU 38 HA GLU 38 19.573 1.712 -17.376 284 1HB GLU 38 HB2 GLU 38 20.202 1.034 -14.569 285 2HB GLU 38 HB1 GLU 38 20.461 -0.247 -15.743 286 1HG GLU 38 HG2 GLU 38 22.513 0.824 -15.614 287 2HG GLU 38 HG1 GLU 38 21.781 1.486 -17.075 288 H LYS 39 HN LYS 39 17.903 -0.056 -14.783 289 HA LYS 39 HA LYS 39 17.232 -2.278 -16.351 290 1HB LYS 39 HB2 LYS 39 15.681 -2.867 -14.537 291 2HB LYS 39 HB1 LYS 39 17.258 -2.388 -13.930 292 1HG LYS 39 HG2 LYS 39 16.153 -1.063 -12.529 293 2HG LYS 39 HG1 LYS 39 15.851 -0.026 -13.923 294 1HD LYS 39 HD2 LYS 39 13.808 -1.549 -14.331 295 2HD LYS 39 HD1 LYS 39 14.050 -2.064 -12.662 296 1HE LYS 39 HE2 LYS 39 12.636 -0.332 -12.271 297 2HE LYS 39 HE1 LYS 39 14.150 0.573 -12.289 298 1HZ LYS 39 HZ1 LYS 39 13.752 1.116 -14.612 299 2HZ LYS 39 HZ3 LYS 39 12.298 0.250 -14.590 300 3HZ LYS 39 HZ2 LYS 39 12.468 1.643 -13.647 301 H THR 40 HN THR 40 15.959 0.841 -16.610 302 HA THR 40 HA THR 40 13.231 0.238 -17.109 303 HB THR 40 HB THR 40 14.940 2.537 -18.076 304 HG1 THR 40 HG1 THR 40 14.705 2.686 -15.907 305 1HG2 THR 40 3HG2 THR 40 11.967 2.157 -18.243 306 2HG2 THR 40 2HG2 THR 40 12.755 3.732 -18.337 307 3HG2 THR 40 1HG2 THR 40 13.096 2.500 -19.553 308 H TYR 41 HN TYR 41 15.930 0.845 -19.322 309 HA TYR 41 HA TYR 41 14.537 0.137 -21.681 310 1HB TYR 41 HB2 TYR 41 17.474 0.365 -21.036 311 2HB TYR 41 HB1 TYR 41 16.898 -0.079 -22.638 312 HD1 TYR 41 HD1 TYR 41 15.938 1.558 -24.106 313 HD2 TYR 41 HD2 TYR 41 17.021 2.617 -20.130 314 HE1 TYR 41 HE1 TYR 41 15.684 3.936 -24.676 315 HE2 TYR 41 HE2 TYR 41 16.770 4.997 -20.688 316 HH TYR 41 HH TYR 41 15.156 6.207 -22.911 317 H LEU 42 HN LEU 42 16.604 -1.717 -19.482 318 HA LEU 42 HA LEU 42 16.738 -4.056 -21.079 319 1HB LEU 42 HB2 LEU 42 17.378 -3.364 -18.256 320 2HB LEU 42 HB1 LEU 42 17.223 -5.061 -18.665 321 HG LEU 42 HG LEU 42 19.552 -4.361 -18.748 322 1HD1 LEU 42 3HD1 LEU 42 18.669 -6.079 -20.333 323 2HD1 LEU 42 2HD1 LEU 42 18.557 -4.811 -21.553 324 3HD1 LEU 42 1HD1 LEU 42 20.127 -5.252 -20.880 325 1HD2 LEU 42 1HD2 LEU 42 19.076 -1.977 -19.308 326 2HD2 LEU 42 3HD2 LEU 42 20.365 -2.704 -20.267 327 3HD2 LEU 42 2HD2 LEU 42 18.762 -2.483 -20.968 328 HA PRO 43 HA PRO 43 12.789 -5.835 -20.024 329 1HB PRO 43 HB2 PRO 43 12.976 -8.058 -21.468 330 2HB PRO 43 HB1 PRO 43 12.954 -6.474 -22.254 331 1HG PRO 43 HG2 PRO 43 15.249 -8.309 -21.752 332 2HG PRO 43 HG1 PRO 43 14.941 -7.248 -23.136 333 1HD PRO 43 HD2 PRO 43 16.614 -6.694 -20.936 334 2HD PRO 43 HD1 PRO 43 16.067 -5.537 -22.164 335 H ALA 44 HN ALA 44 15.222 -6.387 -18.213 336 HA ALA 44 HA ALA 44 15.198 -9.106 -17.455 337 1HB ALA 44 HB2 ALA 44 15.987 -6.695 -15.825 338 2HB ALA 44 HB1 ALA 44 16.397 -8.373 -15.465 339 3HB ALA 44 HB3 ALA 44 17.039 -7.598 -16.914 340 H VAL 45 HN VAL 45 12.930 -6.619 -16.886 341 HA VAL 45 HA VAL 45 11.900 -7.042 -14.397 342 HB VAL 45 HB VAL 45 9.662 -6.406 -15.327 343 1HG1 VAL 45 3HG1 VAL 45 11.347 -4.752 -14.605 344 2HG1 VAL 45 2HG1 VAL 45 11.951 -4.679 -16.260 345 3HG1 VAL 45 1HG1 VAL 45 10.308 -4.152 -15.897 346 1HG2 VAL 45 1HG2 VAL 45 11.158 -6.680 -17.915 347 2HG2 VAL 45 3HG2 VAL 45 9.574 -7.316 -17.476 348 3HG2 VAL 45 2HG2 VAL 45 9.782 -5.590 -17.763 349 H ASP 46 HN ASP 46 11.211 -8.943 -17.312 350 HA ASP 46 HA ASP 46 9.342 -10.665 -15.984 351 1HB ASP 46 HB2 ASP 46 10.772 -11.198 -18.593 352 2HB ASP 46 HB1 ASP 46 9.251 -11.893 -18.044 353 H GLU 47 HN GLU 47 12.790 -10.822 -16.774 354 HA GLU 47 HA GLU 47 13.133 -13.566 -16.102 355 1HB GLU 47 HB2 GLU 47 14.706 -11.997 -17.432 356 2HB GLU 47 HB1 GLU 47 15.314 -11.509 -15.858 357 1HG GLU 47 HG2 GLU 47 15.287 -14.334 -16.897 358 2HG GLU 47 HG1 GLU 47 16.678 -13.254 -16.929 359 H LYS 48 HN LYS 48 14.049 -10.625 -14.291 360 HA LYS 48 HA LYS 48 14.863 -11.822 -11.935 361 1HB LYS 48 HB2 LYS 48 14.848 -9.313 -12.727 362 2HB LYS 48 HB1 LYS 48 13.344 -9.247 -11.817 363 1HG LYS 48 HG2 LYS 48 15.627 -10.471 -10.417 364 2HG LYS 48 HG1 LYS 48 15.771 -8.748 -10.766 365 1HD LYS 48 HD2 LYS 48 13.248 -9.809 -9.566 366 2HD LYS 48 HD1 LYS 48 14.661 -9.548 -8.541 367 1HE LYS 48 HE2 LYS 48 14.759 -7.213 -9.307 368 2HE LYS 48 HE1 LYS 48 13.316 -7.484 -10.283 369 1HZ LYS 48 HZ2 LYS 48 13.464 -7.720 -7.325 370 2HZ LYS 48 HZ1 LYS 48 12.785 -6.426 -8.175 371 3HZ LYS 48 HZ3 LYS 48 12.080 -7.961 -8.266 372 H LEU 49 HN LEU 49 11.609 -11.328 -13.107 373 HA LEU 49 HA LEU 49 10.224 -11.571 -10.662 374 1HB LEU 49 HB2 LEU 49 9.442 -10.974 -13.146 375 2HB LEU 49 HB1 LEU 49 9.020 -12.674 -13.153 376 HG LEU 49 HG LEU 49 8.065 -10.901 -10.933 377 1HD1 LEU 49 2HD1 LEU 49 7.461 -9.770 -13.021 378 2HD1 LEU 49 1HD1 LEU 49 6.706 -11.254 -13.601 379 3HD1 LEU 49 3HD1 LEU 49 6.046 -10.420 -12.194 380 1HD2 LEU 49 2HD2 LEU 49 7.041 -13.427 -12.222 381 2HD2 LEU 49 1HD2 LEU 49 7.758 -13.264 -10.620 382 3HD2 LEU 49 3HD2 LEU 49 6.191 -12.531 -10.964 383 H ARG 50 HN ARG 50 10.582 -14.017 -13.241 384 HA ARG 50 HA ARG 50 9.830 -16.198 -11.613 385 1HB ARG 50 HB2 ARG 50 10.693 -15.786 -14.329 386 2HB ARG 50 HB1 ARG 50 11.540 -17.165 -13.644 387 1HG ARG 50 HG2 ARG 50 8.627 -17.048 -13.175 388 2HG ARG 50 HG1 ARG 50 9.154 -17.345 -14.833 389 1HD ARG 50 HD2 ARG 50 9.012 -19.488 -13.990 390 2HD ARG 50 HD1 ARG 50 10.716 -19.113 -13.740 391 HE ARG 50 HE ARG 50 9.311 -18.378 -11.436 392 1HH1 ARG 50 1HH1 ARG 50 10.171 -21.285 -13.186 393 2HH1 ARG 50 2HH1 ARG 50 10.177 -22.282 -11.770 394 1HH2 ARG 50 1HH2 ARG 50 9.321 -19.698 -9.574 395 2HH2 ARG 50 2HH2 ARG 50 9.695 -21.382 -9.721 396 H ASP 51 HN ASP 51 12.874 -14.572 -12.187 397 HA ASP 51 HA ASP 51 14.688 -16.490 -11.302 398 1HB ASP 51 HB2 ASP 51 15.157 -14.193 -12.340 399 2HB ASP 51 HB1 ASP 51 14.979 -13.546 -10.713 400 H LEU 52 HN LEU 52 13.267 -13.837 -9.384 401 HA LEU 52 HA LEU 52 14.223 -14.834 -6.903 402 1HB LEU 52 HB2 LEU 52 12.368 -12.684 -7.775 403 2HB LEU 52 HB1 LEU 52 12.228 -13.236 -6.117 404 HG LEU 52 HG LEU 52 14.577 -12.680 -5.711 405 1HD1 LEU 52 3HD1 LEU 52 14.538 -11.833 -8.600 406 2HD1 LEU 52 2HD1 LEU 52 15.779 -11.333 -7.451 407 3HD1 LEU 52 1HD1 LEU 52 15.574 -13.040 -7.840 408 1HD2 LEU 52 3HD2 LEU 52 13.005 -10.423 -6.948 409 2HD2 LEU 52 2HD2 LEU 52 12.879 -10.990 -5.283 410 3HD2 LEU 52 1HD2 LEU 52 14.374 -10.244 -5.850 411 H TYR 53 HN TYR 53 11.441 -15.551 -8.842 412 HA TYR 53 HA TYR 53 9.747 -16.563 -6.804 413 1HB TYR 53 HB2 TYR 53 9.349 -15.995 -9.395 414 2HB TYR 53 HB1 TYR 53 9.606 -17.730 -9.539 415 HD1 TYR 53 HD1 TYR 53 7.204 -15.230 -9.018 416 HD2 TYR 53 HD2 TYR 53 8.205 -19.190 -7.825 417 HE1 TYR 53 HE1 TYR 53 4.865 -15.620 -8.368 418 HE2 TYR 53 HE2 TYR 53 5.869 -19.591 -7.174 419 HH TYR 53 HH TYR 53 3.796 -17.615 -6.445 420 H SER 54 HN SER 54 12.000 -18.153 -9.065 421 HA SER 54 HA SER 54 11.620 -20.783 -8.149 422 1HB SER 54 HB2 SER 54 14.119 -19.573 -9.364 423 2HB SER 54 HB1 SER 54 13.747 -21.294 -9.261 424 HG SER 54 HG SER 54 12.485 -21.107 -10.934 425 H LYS 55 HN LYS 55 13.956 -18.285 -7.198 426 HA LYS 55 HA LYS 55 15.409 -19.817 -5.342 427 1HB LYS 55 HB2 LYS 55 15.990 -17.528 -6.327 428 2HB LYS 55 HB1 LYS 55 14.919 -16.850 -5.110 429 1HG LYS 55 HG2 LYS 55 16.320 -17.426 -3.364 430 2HG LYS 55 HG1 LYS 55 17.136 -18.681 -4.298 431 1HD LYS 55 HD2 LYS 55 18.647 -16.842 -4.062 432 2HD LYS 55 HD1 LYS 55 18.097 -16.877 -5.738 433 1HE LYS 55 HE2 LYS 55 16.436 -15.240 -3.966 434 2HE LYS 55 HE1 LYS 55 18.099 -14.674 -4.115 435 1HZ LYS 55 HZ3 LYS 55 17.832 -14.675 -6.527 436 2HZ LYS 55 HZ2 LYS 55 16.227 -15.184 -6.366 437 3HZ LYS 55 HZ1 LYS 55 16.693 -13.666 -5.786 438 H SER 56 HN SER 56 12.623 -17.646 -4.915 439 HA SER 56 HA SER 56 12.382 -17.924 -2.129 440 1HB SER 56 HB2 SER 56 10.479 -17.091 -4.298 441 2HB SER 56 HB1 SER 56 9.930 -17.238 -2.629 442 HG SER 56 HG SER 56 11.161 -15.574 -2.053 443 H THR 57 HN THR 57 11.598 -20.208 -4.609 444 HA THR 57 HA THR 57 9.422 -21.531 -3.473 445 HB THR 57 HB THR 57 11.686 -22.813 -5.017 446 HG1 THR 57 HG1 THR 57 9.375 -21.451 -5.936 447 1HG2 THR 57 2HG2 THR 57 8.797 -23.594 -4.720 448 2HG2 THR 57 1HG2 THR 57 9.927 -24.311 -5.869 449 3HG2 THR 57 3HG2 THR 57 10.205 -24.482 -4.136 450 H ALA 58 HN ALA 58 12.904 -22.215 -3.082 451 HA ALA 58 HA ALA 58 12.341 -24.083 -0.926 452 1HB ALA 58 HB1 ALA 58 14.062 -24.655 -2.553 453 2HB ALA 58 HB3 ALA 58 14.974 -23.212 -2.114 454 3HB ALA 58 HB2 ALA 58 14.749 -24.506 -0.936 455 H ALA 59 HN ALA 59 13.957 -20.949 -1.368 456 HA ALA 59 HA ALA 59 14.856 -20.619 1.273 457 1HB ALA 59 HB2 ALA 59 15.048 -18.225 0.701 458 2HB ALA 59 HB3 ALA 59 14.171 -18.537 -0.798 459 3HB ALA 59 HB1 ALA 59 15.747 -19.282 -0.525 460 H MET 60 HN MET 60 12.066 -18.980 -0.262 461 HA MET 60 HA MET 60 11.030 -17.936 2.127 462 1HB MET 60 HB2 MET 60 10.500 -17.316 -0.330 463 2HB MET 60 HB1 MET 60 9.287 -18.584 -0.229 464 1HG MET 60 HG2 MET 60 8.353 -16.371 0.201 465 2HG MET 60 HG1 MET 60 8.188 -17.442 1.589 466 1HE MET 60 HE3 MET 60 7.682 -15.824 3.253 467 2HE MET 60 HE2 MET 60 9.005 -16.659 4.065 468 3HE MET 60 HE1 MET 60 8.904 -14.899 4.125 469 H SER 61 HN SER 61 10.875 -21.159 0.913 470 HA SER 61 HA SER 61 8.409 -21.954 2.052 471 1HB SER 61 HB2 SER 61 10.634 -23.232 0.700 472 2HB SER 61 HB1 SER 61 10.047 -24.221 2.036 473 HG SER 61 HG SER 61 8.813 -23.536 -0.341 474 H THR 62 HN THR 62 11.429 -21.237 3.509 475 HA THR 62 HA THR 62 10.788 -22.793 5.906 476 HB THR 62 HB THR 62 13.062 -22.168 6.670 477 HG1 THR 62 HG1 THR 62 13.825 -20.443 5.751 478 1HG2 THR 62 2HG2 THR 62 12.761 -24.222 5.336 479 2HG2 THR 62 1HG2 THR 62 13.142 -23.296 3.885 480 3HG2 THR 62 3HG2 THR 62 14.355 -23.490 5.150 481 H TYR 63 HN TYR 63 11.668 -19.469 4.968 482 HA TYR 63 HA TYR 63 11.141 -18.309 7.472 483 1HB TYR 63 HB2 TYR 63 12.471 -17.361 5.451 484 2HB TYR 63 HB1 TYR 63 10.902 -16.794 4.888 485 HD1 TYR 63 HD1 TYR 63 9.956 -14.822 5.762 486 HD2 TYR 63 HD2 TYR 63 13.280 -16.601 7.734 487 HE1 TYR 63 HE1 TYR 63 10.153 -12.841 7.204 488 HE2 TYR 63 HE2 TYR 63 13.487 -14.625 9.181 489 HH TYR 63 HH TYR 63 11.414 -12.631 9.880 490 H THR 64 HN THR 64 9.034 -19.410 4.969 491 HA THR 64 HA THR 64 6.882 -17.631 5.523 492 HB THR 64 HB THR 64 7.126 -20.227 4.048 493 HG1 THR 64 HG1 THR 64 6.200 -17.635 3.362 494 1HG2 THR 64 2HG2 THR 64 4.531 -18.954 4.853 495 2HG2 THR 64 1HG2 THR 64 4.692 -19.969 3.420 496 3HG2 THR 64 3HG2 THR 64 5.027 -20.639 5.016 497 H GLY 65 HN GLY 65 7.424 -21.032 6.411 498 1HA GLY 65 HA1 GLY 65 6.640 -22.253 8.198 499 2HA GLY 65 HA2 GLY 65 5.271 -21.146 8.253 500 H ILE 66 HN ILE 66 8.690 -20.327 8.544 501 HA ILE 66 HA ILE 66 8.806 -20.161 11.365 502 HB ILE 66 HB ILE 66 10.492 -18.862 9.223 503 1HG1 ILE 66 2HG1 ILE 66 11.325 -20.983 11.190 504 2HG1 ILE 66 1HG1 ILE 66 10.491 -21.409 9.699 505 1HG2 ILE 66 3HG2 ILE 66 10.708 -18.672 12.212 506 2HG2 ILE 66 2HG2 ILE 66 12.113 -18.480 11.166 507 3HG2 ILE 66 1HG2 ILE 66 10.745 -17.377 11.017 508 1HD1 ILE 66 2HD1 ILE 66 12.386 -19.932 8.623 509 2HD1 ILE 66 1HD1 ILE 66 13.233 -20.356 10.111 510 3HD1 ILE 66 3HD1 ILE 66 12.654 -21.625 9.032 511 H PHE 67 HN PHE 67 8.661 -17.534 8.949 512 HA PHE 67 HA PHE 67 8.280 -15.399 10.665 513 1HB PHE 67 HB2 PHE 67 8.669 -15.173 8.232 514 2HB PHE 67 HB1 PHE 67 7.024 -15.720 7.931 515 HD1 PHE 67 HD1 PHE 67 5.196 -14.238 8.077 516 HD2 PHE 67 HD2 PHE 67 9.046 -13.008 9.408 517 HE1 PHE 67 HE1 PHE 67 4.392 -11.920 8.249 518 HE2 PHE 67 HE2 PHE 67 8.248 -10.687 9.583 519 HZ PHE 67 HZ PHE 67 5.918 -10.142 9.004 520 H THR 68 HN THR 68 5.718 -17.247 9.017 521 HA THR 68 HA THR 68 3.578 -15.989 10.344 522 HB THR 68 HB THR 68 3.594 -18.747 9.113 523 HG1 THR 68 HG1 THR 68 4.042 -17.647 7.379 524 1HG2 THR 68 3HG2 THR 68 1.384 -16.816 9.727 525 2HG2 THR 68 2HG2 THR 68 1.221 -18.095 8.524 526 3HG2 THR 68 1HG2 THR 68 1.537 -18.505 10.210 527 H ASP 69 HN ASP 69 5.754 -18.428 11.387 528 HA ASP 69 HA ASP 69 4.174 -19.861 13.199 529 1HB ASP 69 HB2 ASP 69 6.852 -19.860 12.520 530 2HB ASP 69 HB1 ASP 69 6.877 -19.322 14.195 531 H GLN 70 HN GLN 70 6.226 -17.012 13.848 532 HA GLN 70 HA GLN 70 5.268 -16.665 16.505 533 1HB GLN 70 HB2 GLN 70 6.708 -14.735 14.676 534 2HB GLN 70 HB1 GLN 70 6.427 -14.471 16.392 535 1HG GLN 70 HG2 GLN 70 8.179 -15.705 16.964 536 2HG GLN 70 HG1 GLN 70 7.699 -17.022 15.895 537 1HE2 GLN 70 1HE2 GLN 70 8.434 -17.015 13.733 538 2HE2 GLN 70 2HE2 GLN 70 9.818 -16.096 13.262 539 H VAL 71 HN VAL 71 4.140 -15.612 13.400 540 HA VAL 71 HA VAL 71 2.532 -13.432 14.261 541 HB VAL 71 HB VAL 71 2.249 -15.184 11.804 542 1HG1 VAL 71 3HG1 VAL 71 0.893 -12.615 12.588 543 2HG1 VAL 71 2HG1 VAL 71 0.981 -13.180 10.919 544 3HG1 VAL 71 1HG1 VAL 71 0.150 -14.150 12.135 545 1HG2 VAL 71 1HG2 VAL 71 4.362 -13.690 12.253 546 2HG2 VAL 71 3HG2 VAL 71 3.613 -13.736 10.658 547 3HG2 VAL 71 2HG2 VAL 71 3.286 -12.389 11.748 548 H LEU 72 HN LEU 72 1.793 -16.785 13.385 549 HA LEU 72 HA LEU 72 -0.900 -16.816 14.140 550 1HB LEU 72 HB2 LEU 72 0.489 -18.583 12.854 551 2HB LEU 72 HB1 LEU 72 0.918 -19.192 14.441 552 HG LEU 72 HG LEU 72 -1.616 -19.348 14.863 553 1HD1 LEU 72 1HD1 LEU 72 -1.603 -19.160 11.854 554 2HD1 LEU 72 3HD1 LEU 72 -2.975 -19.647 12.849 555 3HD1 LEU 72 2HD1 LEU 72 -2.338 -18.007 12.967 556 1HD2 LEU 72 2HD2 LEU 72 -0.160 -21.284 14.579 557 2HD2 LEU 72 1HD2 LEU 72 -1.721 -21.546 13.801 558 3HD2 LEU 72 3HD2 LEU 72 -0.306 -21.147 12.826 559 H SER 73 HN SER 73 2.083 -17.236 15.959 560 HA SER 73 HA SER 73 0.988 -18.196 18.354 561 1HB SER 73 HB2 SER 73 3.102 -18.036 19.155 562 2HB SER 73 HB1 SER 73 3.528 -17.598 17.504 563 HG SER 73 HG SER 73 3.638 -15.504 18.069 564 H VAL 74 HN VAL 74 1.278 -14.930 17.102 565 HA VAL 74 HA VAL 74 0.394 -13.635 19.492 566 HB VAL 74 HB VAL 74 0.273 -12.573 16.662 567 1HG1 VAL 74 1HG1 VAL 74 0.059 -11.289 19.366 568 2HG1 VAL 74 3HG1 VAL 74 0.554 -10.371 17.944 569 3HG1 VAL 74 2HG1 VAL 74 -1.027 -11.151 17.984 570 1HG2 VAL 74 1HG2 VAL 74 2.538 -13.135 18.366 571 2HG2 VAL 74 3HG2 VAL 74 2.499 -12.610 16.682 572 3HG2 VAL 74 2HG2 VAL 74 2.438 -11.418 17.981 573 H LEU 75 HN LEU 75 -1.206 -15.394 17.018 574 HA LEU 75 HA LEU 75 -3.721 -14.106 17.027 575 1HB LEU 75 HB2 LEU 75 -2.697 -15.994 15.479 576 2HB LEU 75 HB1 LEU 75 -3.528 -17.048 16.607 577 HG LEU 75 HG LEU 75 -5.213 -14.876 15.605 578 1HD1 LEU 75 1HD1 LEU 75 -3.851 -15.225 13.606 579 2HD1 LEU 75 3HD1 LEU 75 -4.201 -16.953 13.668 580 3HD1 LEU 75 2HD1 LEU 75 -5.501 -15.798 13.372 581 1HD2 LEU 75 1HD2 LEU 75 -6.047 -16.773 16.902 582 2HD2 LEU 75 3HD2 LEU 75 -6.786 -16.712 15.302 583 3HD2 LEU 75 2HD2 LEU 75 -5.506 -17.878 15.638 584 H LYS 76 HN LYS 76 -2.304 -16.631 18.970 585 HA LYS 76 HA LYS 76 -4.668 -17.280 20.430 586 1HB LYS 76 HB2 LYS 76 -2.465 -18.643 20.124 587 2HB LYS 76 HB1 LYS 76 -1.902 -17.718 21.509 588 1HG LYS 76 HG2 LYS 76 -3.995 -18.521 22.704 589 2HG LYS 76 HG1 LYS 76 -4.183 -19.662 21.370 590 1HD LYS 76 HD2 LYS 76 -1.995 -20.610 21.845 591 2HD LYS 76 HD1 LYS 76 -1.745 -19.432 23.136 592 1HE LYS 76 HE2 LYS 76 -3.728 -20.359 24.298 593 2HE LYS 76 HE1 LYS 76 -3.850 -21.591 23.043 594 1HZ LYS 76 HZ3 LYS 76 -1.649 -22.383 23.663 595 2HZ LYS 76 HZ2 LYS 76 -1.537 -21.202 24.868 596 3HZ LYS 76 HZ1 LYS 76 -2.697 -22.427 24.990 597 H GLY 77 HN GLY 77 -1.947 -15.079 20.981 598 1HA GLY 77 HA1 GLY 77 -1.580 -13.471 22.581 599 2HA GLY 77 HA2 GLY 77 -2.657 -14.369 23.640 600 H GLU 78 HN GLU 78 -2.681 -12.144 20.861 601 HA GLU 78 HA GLU 78 -5.364 -11.241 21.609 602 1HB GLU 78 HB2 GLU 78 -3.169 -9.886 22.532 603 2HB GLU 78 HB1 GLU 78 -3.518 -9.023 21.041 604 1HG GLU 78 HG2 GLU 78 -5.557 -9.552 23.189 605 2HG GLU 78 HG1 GLU 78 -4.592 -8.080 23.083 606 H GLU 79 HN GLU 79 -4.458 -12.750 19.333 607 HA GLU 79 HA GLU 79 -4.943 -12.856 17.116 608 1HB GLU 79 HB2 GLU 79 -6.695 -11.007 17.869 609 2HB GLU 79 HB1 GLU 79 -5.658 -9.970 16.901 610 1HG GLU 79 HG2 GLU 79 -7.121 -12.434 15.984 611 2HG GLU 79 HG1 GLU 79 -7.473 -10.761 15.553 No H/Q in entry = 611 Start of MODEL 18 1 H1 THR 1 HT1 THR 1 28.772 -22.387 10.634 2 H2 THR 1 HT3 THR 1 28.607 -21.963 12.287 3 H3 THR 1 HT2 THR 1 27.244 -21.899 11.244 4 HA THR 1 HA THR 1 28.236 -20.159 9.987 5 HB THR 1 HB THR 1 28.252 -19.640 12.972 6 HG1 THR 1 HG1 THR 1 26.249 -20.231 12.753 7 1HG2 THR 1 1HG2 THR 1 27.984 -17.805 10.623 8 2HG2 THR 1 3HG2 THR 1 27.294 -17.405 12.196 9 3HG2 THR 1 2HG2 THR 1 29.032 -17.660 12.033 10 H GLN 2 HN GLN 2 30.043 -19.252 9.225 11 HA GLN 2 HA GLN 2 32.536 -19.623 10.753 12 1HB GLN 2 HB2 GLN 2 33.693 -19.513 8.539 13 2HB GLN 2 HB1 GLN 2 32.634 -20.902 8.725 14 1HG GLN 2 HG2 GLN 2 31.302 -20.269 7.045 15 2HG GLN 2 HG1 GLN 2 31.343 -18.571 7.517 16 1HE2 GLN 2 1HE2 GLN 2 32.991 -17.240 6.721 17 2HE2 GLN 2 2HE2 GLN 2 33.937 -17.687 5.346 18 H GLN 3 HN GLN 3 31.125 -17.482 11.509 19 HA GLN 3 HA GLN 3 32.756 -15.268 10.534 20 1HB GLN 3 HB2 GLN 3 30.463 -15.379 9.346 21 2HB GLN 3 HB1 GLN 3 29.798 -14.858 10.887 22 1HG GLN 3 HG2 GLN 3 32.051 -13.250 9.928 23 2HG GLN 3 HG1 GLN 3 30.619 -13.204 8.900 24 1HE2 GLN 3 1HE2 GLN 3 28.655 -12.430 9.778 25 2HE2 GLN 3 2HE2 GLN 3 28.643 -11.407 11.169 26 HA PRO 4 HA PRO 4 32.836 -14.704 14.962 27 1HB PRO 4 HB2 PRO 4 34.598 -12.673 15.036 28 2HB PRO 4 HB1 PRO 4 35.092 -14.323 14.641 29 1HG PRO 4 HG2 PRO 4 34.572 -12.012 12.813 30 2HG PRO 4 HG1 PRO 4 35.876 -13.212 12.757 31 1HD PRO 4 HD2 PRO 4 33.630 -13.326 11.192 32 2HD PRO 4 HD1 PRO 4 34.577 -14.749 11.665 33 H GLN 5 HN GLN 5 30.565 -13.983 14.887 34 HA GLN 5 HA GLN 5 29.926 -11.233 14.462 35 1HB GLN 5 HB2 GLN 5 28.489 -13.668 15.298 36 2HB GLN 5 HB1 GLN 5 27.846 -12.171 15.956 37 1HG GLN 5 HG2 GLN 5 26.832 -11.730 14.047 38 2HG GLN 5 HG1 GLN 5 28.368 -11.792 13.184 39 1HE2 GLN 5 1HE2 GLN 5 29.153 -14.108 12.788 40 2HE2 GLN 5 2HE2 GLN 5 27.959 -15.218 12.217 41 H GLN 6 HN GLN 6 30.184 -9.572 15.795 42 HA GLN 6 HA GLN 6 31.348 -9.866 18.362 43 1HB GLN 6 HB2 GLN 6 31.065 -7.418 18.545 44 2HB GLN 6 HB1 GLN 6 31.796 -7.895 17.021 45 1HG GLN 6 HG2 GLN 6 30.306 -6.430 16.190 46 2HG GLN 6 HG1 GLN 6 29.234 -7.827 16.260 47 1HE2 GLN 6 1HE2 GLN 6 27.309 -7.325 17.018 48 2HE2 GLN 6 2HE2 GLN 6 26.969 -6.168 18.254 49 H ASP 7 HN ASP 7 30.337 -8.560 20.292 50 HA ASP 7 HA ASP 7 27.958 -9.933 21.045 51 1HB ASP 7 HB2 ASP 7 29.713 -9.333 22.671 52 2HB ASP 7 HB1 ASP 7 29.357 -7.627 22.420 53 H GLU 8 HN GLU 8 25.998 -9.421 20.318 54 HA GLU 8 HA GLU 8 25.347 -6.879 19.215 55 1HB GLU 8 HB2 GLU 8 24.266 -9.422 19.082 56 2HB GLU 8 HB1 GLU 8 23.062 -8.528 19.996 57 1HG GLU 8 HG2 GLU 8 24.133 -7.316 17.504 58 2HG GLU 8 HG1 GLU 8 22.993 -8.653 17.373 59 H MET 9 HN MET 9 25.573 -5.245 20.692 60 HA MET 9 HA MET 9 24.597 -5.368 23.355 61 1HB MET 9 HB2 MET 9 25.735 -3.246 21.603 62 2HB MET 9 HB1 MET 9 24.833 -2.733 23.022 63 1HG MET 9 HG2 MET 9 26.786 -2.909 24.078 64 2HG MET 9 HG1 MET 9 26.458 -4.641 24.075 65 1HE MET 9 HE3 MET 9 28.499 -5.437 24.379 66 2HE MET 9 HE2 MET 9 29.718 -5.696 23.131 67 3HE MET 9 HE1 MET 9 29.798 -4.265 24.157 68 HA PRO 10 HA PRO 10 20.868 -2.763 21.908 69 1HB PRO 10 HB2 PRO 10 20.621 -1.946 19.367 70 2HB PRO 10 HB1 PRO 10 21.666 -1.096 20.511 71 1HG PRO 10 HG2 PRO 10 22.397 -3.074 18.388 72 2HG PRO 10 HG1 PRO 10 23.199 -1.555 18.825 73 1HD PRO 10 HD2 PRO 10 24.041 -4.030 19.661 74 2HD PRO 10 HD1 PRO 10 24.361 -2.524 20.540 75 H SER 11 HN SER 11 20.732 -5.399 22.050 76 HA SER 11 HA SER 11 19.664 -6.680 19.734 77 1HB SER 11 HB2 SER 11 19.945 -7.432 22.622 78 2HB SER 11 HB1 SER 11 18.912 -8.398 21.570 79 HG SER 11 HG SER 11 21.684 -8.052 21.529 80 HA PRO 12 HA PRO 12 15.388 -6.247 21.984 81 1HB PRO 12 HB2 PRO 12 15.267 -4.411 24.014 82 2HB PRO 12 HB1 PRO 12 15.541 -6.138 24.264 83 1HG PRO 12 HG2 PRO 12 17.517 -3.897 24.193 84 2HG PRO 12 HG1 PRO 12 17.445 -5.295 25.281 85 1HD PRO 12 HD2 PRO 12 19.149 -5.185 23.197 86 2HD PRO 12 HD1 PRO 12 18.415 -6.708 23.735 87 H THR 13 HN THR 13 17.348 -3.265 22.115 88 HA THR 13 HA THR 13 15.249 -1.584 21.164 89 HB THR 13 HB THR 13 17.144 0.071 20.816 90 HG1 THR 13 HG1 THR 13 19.036 -0.815 20.718 91 1HG2 THR 13 3HG2 THR 13 15.897 0.002 22.925 92 2HG2 THR 13 2HG2 THR 13 17.040 -1.189 23.544 93 3HG2 THR 13 1HG2 THR 13 17.590 0.440 23.153 94 H PHE 14 HN PHE 14 14.413 -2.016 19.211 95 HA PHE 14 HA PHE 14 16.171 -2.705 16.985 96 1HB PHE 14 HB2 PHE 14 13.959 -3.902 17.505 97 2HB PHE 14 HB1 PHE 14 13.168 -2.468 16.860 98 HD1 PHE 14 HD1 PHE 14 13.141 -2.016 14.516 99 HD2 PHE 14 HD2 PHE 14 15.319 -5.335 16.051 100 HE1 PHE 14 HE1 PHE 14 13.382 -2.908 12.236 101 HE2 PHE 14 HE2 PHE 14 15.565 -6.231 13.775 102 HZ PHE 14 HZ PHE 14 14.595 -5.017 11.862 103 H LEU 15 HN LEU 15 14.017 -0.122 18.045 104 HA LEU 15 HA LEU 15 13.949 1.357 15.655 105 1HB LEU 15 HB2 LEU 15 12.580 1.611 17.853 106 2HB LEU 15 HB1 LEU 15 13.892 2.661 18.353 107 HG LEU 15 HG LEU 15 13.463 3.999 16.237 108 1HD1 LEU 15 1HD1 LEU 15 10.956 2.325 16.241 109 2HD1 LEU 15 3HD1 LEU 15 11.205 3.781 15.277 110 3HD1 LEU 15 2HD1 LEU 15 12.202 2.355 14.994 111 1HD2 LEU 15 3HD2 LEU 15 11.302 3.840 18.335 112 2HD2 LEU 15 2HD2 LEU 15 12.783 4.794 18.424 113 3HD2 LEU 15 1HD2 LEU 15 11.551 5.188 17.225 114 H THR 16 HN THR 16 16.309 1.241 18.269 115 HA THR 16 HA THR 16 17.767 3.553 17.688 116 HB THR 16 HB THR 16 19.707 2.314 18.738 117 HG1 THR 16 HG1 THR 16 19.526 0.229 18.590 118 1HG2 THR 16 1HG2 THR 16 18.166 3.575 20.147 119 2HG2 THR 16 3HG2 THR 16 17.123 2.159 20.270 120 3HG2 THR 16 2HG2 THR 16 18.748 2.118 20.953 121 H GLN 17 HN GLN 17 18.218 0.229 16.475 122 HA GLN 17 HA GLN 17 20.412 0.785 14.803 123 1HB GLN 17 HB2 GLN 17 19.331 -1.494 15.565 124 2HB GLN 17 HB1 GLN 17 18.419 -1.327 14.072 125 1HG GLN 17 HG2 GLN 17 21.421 -1.213 14.189 126 2HG GLN 17 HG1 GLN 17 20.514 -2.704 13.938 127 1HE2 GLN 17 1HE2 GLN 17 21.932 -0.038 12.462 128 2HE2 GLN 17 2HE2 GLN 17 21.265 -0.238 10.881 129 H VAL 18 HN VAL 18 16.948 0.483 14.021 130 HA VAL 18 HA VAL 18 16.670 0.830 11.424 131 HB VAL 18 HB VAL 18 15.210 2.478 13.486 132 1HG1 VAL 18 2HG1 VAL 18 14.689 2.102 10.551 133 2HG1 VAL 18 1HG1 VAL 18 13.412 2.546 11.683 134 3HG1 VAL 18 3HG1 VAL 18 14.804 3.607 11.465 135 1HG2 VAL 18 3HG2 VAL 18 15.071 -0.294 12.616 136 2HG2 VAL 18 2HG2 VAL 18 14.372 0.483 14.036 137 3HG2 VAL 18 1HG2 VAL 18 13.519 0.535 12.494 138 H LYS 19 HN LYS 19 17.390 3.644 13.511 139 HA LYS 19 HA LYS 19 17.446 5.617 11.589 140 1HB LYS 19 HB2 LYS 19 18.849 5.260 14.200 141 2HB LYS 19 HB1 LYS 19 19.329 6.599 13.165 142 1HG LYS 19 HG2 LYS 19 17.729 7.695 14.293 143 2HG LYS 19 HG1 LYS 19 16.657 6.916 13.127 144 1HD LYS 19 HD2 LYS 19 16.918 4.998 15.074 145 2HD LYS 19 HD1 LYS 19 16.930 6.494 16.009 146 1HE LYS 19 HE2 LYS 19 14.675 6.059 15.908 147 2HE LYS 19 HE1 LYS 19 14.880 7.103 14.502 148 1HZ LYS 19 HZ1 LYS 19 15.022 5.103 13.118 149 2HZ LYS 19 HZ3 LYS 19 14.753 4.135 14.480 150 3HZ LYS 19 HZ2 LYS 19 13.547 5.191 13.942 151 H GLU 20 HN GLU 20 20.297 3.801 12.751 152 HA GLU 20 HA GLU 20 22.058 4.842 10.810 153 1HB GLU 20 HB2 GLU 20 22.307 3.232 13.046 154 2HB GLU 20 HB1 GLU 20 22.735 2.153 11.725 155 1HG GLU 20 HG2 GLU 20 23.972 4.863 12.140 156 2HG GLU 20 HG1 GLU 20 24.650 3.361 12.767 157 H SER 21 HN SER 21 19.784 2.223 10.753 158 HA SER 21 HA SER 21 20.800 0.773 8.562 159 1HB SER 21 HB2 SER 21 18.996 -0.554 8.861 160 2HB SER 21 HB1 SER 21 18.712 0.423 10.300 161 HG SER 21 HG SER 21 17.134 1.493 9.285 162 H LEU 22 HN LEU 22 18.744 3.625 8.747 163 HA LEU 22 HA LEU 22 17.984 3.641 6.005 164 1HB LEU 22 HB2 LEU 22 17.749 5.473 8.314 165 2HB LEU 22 HB1 LEU 22 17.721 6.232 6.733 166 HG LEU 22 HG LEU 22 15.890 4.473 6.180 167 1HD1 LEU 22 2HD1 LEU 22 15.817 4.474 9.193 168 2HD1 LEU 22 1HD1 LEU 22 14.550 3.835 8.146 169 3HD1 LEU 22 3HD1 LEU 22 16.149 3.094 8.147 170 1HD2 LEU 22 2HD2 LEU 22 15.511 6.881 6.324 171 2HD2 LEU 22 1HD2 LEU 22 14.166 5.981 7.025 172 3HD2 LEU 22 3HD2 LEU 22 15.351 6.755 8.076 173 H SER 23 HN SER 23 20.447 5.465 7.841 174 HA SER 23 HA SER 23 21.451 6.940 5.685 175 1HB SER 23 HB2 SER 23 23.619 6.945 7.131 176 2HB SER 23 HB1 SER 23 22.168 7.713 7.772 177 HG SER 23 HG SER 23 22.187 6.324 9.337 178 H SER 24 HN SER 24 22.485 3.796 6.975 179 HA SER 24 HA SER 24 24.612 3.396 5.162 180 1HB SER 24 HB2 SER 24 22.937 1.427 6.731 181 2HB SER 24 HB1 SER 24 24.359 0.970 5.795 182 HG SER 24 HG SER 24 24.174 2.333 8.201 183 H TYR 25 HN TYR 25 21.192 3.169 4.781 184 HA TYR 25 HA TYR 25 21.290 1.407 2.492 185 1HB TYR 25 HB2 TYR 25 19.336 1.459 4.038 186 2HB TYR 25 HB1 TYR 25 18.994 3.101 3.506 187 HD1 TYR 25 HD1 TYR 25 18.025 3.528 1.328 188 HD2 TYR 25 HD2 TYR 25 18.936 -0.442 2.558 189 HE1 TYR 25 HE1 TYR 25 16.666 2.651 -0.522 190 HE2 TYR 25 HE2 TYR 25 17.580 -1.330 0.710 191 HH TYR 25 HH TYR 25 16.834 -0.006 -1.830 192 H TRP 26 HN TRP 26 20.803 4.868 3.105 193 HA TRP 26 HA TRP 26 20.350 5.640 0.433 194 1HB TRP 26 HB2 TRP 26 20.540 6.925 2.951 195 2HB TRP 26 HB1 TRP 26 21.671 7.738 1.875 196 HD1 TRP 26 HD1 TRP 26 20.561 9.789 0.841 197 HE1 TRP 26 HE1 TRP 26 18.223 10.376 -0.057 198 HE3 TRP 26 HE3 TRP 26 18.181 5.375 1.829 199 HZ2 TRP 26 HZ2 TRP 26 15.701 9.131 -0.314 200 HZ3 TRP 26 HZ3 TRP 26 15.806 5.154 1.227 201 HH2 TRP 26 HH2 TRP 26 14.593 6.994 0.178 202 H GLU 27 HN GLU 27 23.287 5.199 2.300 203 HA GLU 27 HA GLU 27 25.247 6.439 0.913 204 1HB GLU 27 HB2 GLU 27 25.091 3.922 2.437 205 2HB GLU 27 HB1 GLU 27 26.447 4.024 1.324 206 1HG GLU 27 HG2 GLU 27 27.532 5.501 2.593 207 2HG GLU 27 HG1 GLU 27 26.075 6.435 2.922 208 H SER 28 HN SER 28 24.121 3.147 0.143 209 HA SER 28 HA SER 28 25.302 3.367 -2.521 210 1HB SER 28 HB2 SER 28 25.531 1.319 -0.936 211 2HB SER 28 HB1 SER 28 23.899 0.923 -1.476 212 HG SER 28 HG SER 28 26.301 0.931 -2.902 213 H ALA 29 HN ALA 29 22.364 4.098 -1.120 214 HA ALA 29 HA ALA 29 20.479 3.011 -2.897 215 1HB ALA 29 HB3 ALA 29 19.808 4.045 -0.810 216 2HB ALA 29 HB1 ALA 29 18.991 4.823 -2.164 217 3HB ALA 29 HB2 ALA 29 20.359 5.618 -1.387 218 H LYS 30 HN LYS 30 22.489 5.910 -3.153 219 HA LYS 30 HA LYS 30 21.246 7.193 -5.266 220 1HB LYS 30 HB2 LYS 30 24.106 7.036 -4.385 221 2HB LYS 30 HB1 LYS 30 23.694 7.896 -5.862 222 1HG LYS 30 HG2 LYS 30 22.732 9.612 -4.759 223 2HG LYS 30 HG1 LYS 30 22.098 8.579 -3.478 224 1HD LYS 30 HD2 LYS 30 25.044 9.024 -3.680 225 2HD LYS 30 HD1 LYS 30 24.025 10.284 -2.982 226 1HE LYS 30 HE2 LYS 30 23.229 8.805 -1.286 227 2HE LYS 30 HE1 LYS 30 23.990 7.417 -2.063 228 1HZ LYS 30 HZ2 LYS 30 25.503 9.724 -0.969 229 2HZ LYS 30 HZ1 LYS 30 25.211 8.298 -0.108 230 3HZ LYS 30 HZ3 LYS 30 26.134 8.256 -1.525 231 H THR 31 HN THR 31 23.815 4.738 -5.487 232 HA THR 31 HA THR 31 24.086 4.549 -8.220 233 HB THR 31 HB THR 31 24.028 2.121 -6.425 234 HG1 THR 31 HG1 THR 31 25.489 3.101 -5.295 235 1HG2 THR 31 2HG2 THR 31 25.730 2.814 -8.806 236 2HG2 THR 31 1HG2 THR 31 25.906 1.374 -7.803 237 3HG2 THR 31 3HG2 THR 31 24.438 1.615 -8.750 238 H ALA 32 HN ALA 32 21.618 3.182 -6.121 239 HA ALA 32 HA ALA 32 20.309 1.578 -8.038 240 1HB ALA 32 HB2 ALA 32 18.764 2.898 -5.853 241 2HB ALA 32 HB1 ALA 32 18.675 1.243 -6.458 242 3HB ALA 32 HB3 ALA 32 20.025 1.737 -5.436 243 H ALA 33 HN ALA 33 19.858 4.974 -7.070 244 HA ALA 33 HA ALA 33 17.573 5.610 -8.471 245 1HB ALA 33 HB3 ALA 33 18.925 7.108 -6.935 246 2HB ALA 33 HB2 ALA 33 19.934 7.466 -8.336 247 3HB ALA 33 HB1 ALA 33 18.219 7.878 -8.354 248 H GLN 34 HN GLN 34 20.891 5.972 -9.734 249 HA GLN 34 HA GLN 34 20.050 6.564 -12.366 250 1HB GLN 34 HB2 GLN 34 22.381 6.889 -11.236 251 2HB GLN 34 HB1 GLN 34 22.681 5.242 -11.771 252 1HG GLN 34 HG2 GLN 34 21.813 6.261 -14.072 253 2HG GLN 34 HG1 GLN 34 22.438 7.738 -13.339 254 1HE2 GLN 34 1HE2 GLN 34 24.682 7.437 -12.333 255 2HE2 GLN 34 2HE2 GLN 34 25.826 6.569 -13.293 256 H ASN 35 HN ASN 35 20.781 3.575 -10.668 257 HA ASN 35 HA ASN 35 20.807 1.853 -12.898 258 1HB ASN 35 HB2 ASN 35 21.505 1.359 -10.461 259 2HB ASN 35 HB1 ASN 35 19.802 1.010 -10.191 260 1HD2 ASN 35 1HD2 ASN 35 18.874 -0.798 -11.160 261 2HD2 ASN 35 2HD2 ASN 35 19.831 -2.065 -11.842 262 H LEU 36 HN LEU 36 18.210 3.313 -11.138 263 HA LEU 36 HA LEU 36 16.072 1.656 -11.839 264 1HB LEU 36 HB2 LEU 36 16.096 3.692 -10.254 265 2HB LEU 36 HB1 LEU 36 15.875 4.661 -11.699 266 HG LEU 36 HG LEU 36 13.952 2.450 -11.390 267 1HD1 LEU 36 2HD1 LEU 36 13.905 4.807 -9.510 268 2HD1 LEU 36 1HD1 LEU 36 12.609 3.629 -9.721 269 3HD1 LEU 36 3HD1 LEU 36 14.164 3.121 -9.060 270 1HD2 LEU 36 3HD2 LEU 36 13.815 4.116 -13.180 271 2HD2 LEU 36 2HD2 LEU 36 12.396 4.167 -12.135 272 3HD2 LEU 36 1HD2 LEU 36 13.652 5.395 -11.975 273 H TYR 37 HN TYR 37 17.543 4.437 -13.406 274 HA TYR 37 HA TYR 37 15.939 4.424 -15.746 275 1HB TYR 37 HB2 TYR 37 18.472 5.706 -14.888 276 2HB TYR 37 HB1 TYR 37 18.259 5.516 -16.624 277 HD1 TYR 37 HD1 TYR 37 17.093 7.229 -13.619 278 HD2 TYR 37 HD2 TYR 37 16.451 6.685 -17.790 279 HE1 TYR 37 HE1 TYR 37 15.675 9.238 -13.657 280 HE2 TYR 37 HE2 TYR 37 15.033 8.693 -17.841 281 HH TYR 37 HH TYR 37 15.016 10.982 -15.957 282 H GLU 38 HN GLU 38 18.934 2.820 -14.806 283 HA GLU 38 HA GLU 38 19.701 1.774 -17.283 284 1HB GLU 38 HB2 GLU 38 20.295 1.156 -14.461 285 2HB GLU 38 HB1 GLU 38 20.571 -0.159 -15.593 286 1HG GLU 38 HG2 GLU 38 22.619 0.872 -15.554 287 2HG GLU 38 HG1 GLU 38 21.864 1.625 -16.957 288 H LYS 39 HN LYS 39 18.025 -0.013 -14.710 289 HA LYS 39 HA LYS 39 17.444 -2.275 -16.226 290 1HB LYS 39 HB2 LYS 39 15.830 -2.845 -14.480 291 2HB LYS 39 HB1 LYS 39 17.339 -2.260 -13.794 292 1HG LYS 39 HG2 LYS 39 16.123 -0.882 -12.556 293 2HG LYS 39 HG1 LYS 39 15.770 0.015 -14.033 294 1HD LYS 39 HD2 LYS 39 13.891 -1.759 -14.343 295 2HD LYS 39 HD1 LYS 39 14.110 -2.029 -12.614 296 1HE LYS 39 HE2 LYS 39 12.449 -0.426 -12.641 297 2HE LYS 39 HE1 LYS 39 13.900 0.556 -12.449 298 1HZ LYS 39 HZ1 LYS 39 12.538 0.028 -15.036 299 2HZ LYS 39 HZ3 LYS 39 12.374 1.445 -14.126 300 3HZ LYS 39 HZ2 LYS 39 13.872 1.039 -14.796 301 H THR 40 HN THR 40 16.076 0.825 -16.568 302 HA THR 40 HA THR 40 13.424 0.105 -17.279 303 HB THR 40 HB THR 40 15.074 2.481 -18.167 304 HG1 THR 40 HG1 THR 40 14.817 2.670 -16.020 305 1HG2 THR 40 2HG2 THR 40 12.117 1.991 -18.349 306 2HG2 THR 40 1HG2 THR 40 12.861 3.585 -18.477 307 3HG2 THR 40 3HG2 THR 40 13.240 2.338 -19.664 308 H TYR 41 HN TYR 41 16.318 0.723 -19.199 309 HA TYR 41 HA TYR 41 15.183 0.082 -21.714 310 1HB TYR 41 HB2 TYR 41 18.109 -0.306 -21.208 311 2HB TYR 41 HB1 TYR 41 17.301 0.379 -22.613 312 HD1 TYR 41 HD1 TYR 41 19.399 1.171 -20.022 313 HD2 TYR 41 HD2 TYR 41 15.859 2.615 -21.888 314 HE1 TYR 41 HE1 TYR 41 19.880 3.428 -19.174 315 HE2 TYR 41 HE2 TYR 41 16.331 4.876 -21.046 316 HH TYR 41 HH TYR 41 18.060 5.640 -18.693 317 H LEU 42 HN LEU 42 16.999 -1.839 -19.351 318 HA LEU 42 HA LEU 42 17.225 -4.170 -20.943 319 1HB LEU 42 HB2 LEU 42 17.517 -3.594 -18.018 320 2HB LEU 42 HB1 LEU 42 17.555 -5.248 -18.596 321 HG LEU 42 HG LEU 42 19.379 -4.207 -20.253 322 1HD1 LEU 42 1HD1 LEU 42 19.460 -2.472 -17.793 323 2HD1 LEU 42 3HD1 LEU 42 20.805 -2.651 -18.921 324 3HD1 LEU 42 2HD1 LEU 42 19.281 -1.956 -19.470 325 1HD2 LEU 42 2HD2 LEU 42 19.689 -6.123 -18.770 326 2HD2 LEU 42 1HD2 LEU 42 21.082 -5.043 -18.722 327 3HD2 LEU 42 3HD2 LEU 42 19.913 -5.032 -17.402 328 HA PRO 43 HA PRO 43 13.205 -5.952 -20.234 329 1HB PRO 43 HB2 PRO 43 13.554 -8.230 -21.556 330 2HB PRO 43 HB1 PRO 43 13.649 -6.680 -22.400 331 1HG PRO 43 HG2 PRO 43 15.837 -8.515 -21.556 332 2HG PRO 43 HG1 PRO 43 15.728 -7.481 -22.990 333 1HD PRO 43 HD2 PRO 43 17.085 -6.901 -20.571 334 2HD PRO 43 HD1 PRO 43 16.779 -5.785 -21.916 335 H ALA 44 HN ALA 44 15.065 -6.245 -17.974 336 HA ALA 44 HA ALA 44 15.247 -8.926 -17.104 337 1HB ALA 44 HB2 ALA 44 15.233 -6.411 -15.443 338 2HB ALA 44 HB1 ALA 44 15.802 -7.999 -14.929 339 3HB ALA 44 HB3 ALA 44 16.648 -7.131 -16.210 340 H VAL 45 HN VAL 45 12.568 -6.821 -17.241 341 HA VAL 45 HA VAL 45 10.976 -7.211 -15.121 342 HB VAL 45 HB VAL 45 10.064 -7.440 -17.993 343 1HG1 VAL 45 1HG1 VAL 45 8.550 -6.988 -15.435 344 2HG1 VAL 45 3HG1 VAL 45 7.910 -6.511 -17.007 345 3HG1 VAL 45 2HG1 VAL 45 8.267 -8.206 -16.679 346 1HG2 VAL 45 3HG2 VAL 45 10.610 -5.112 -16.188 347 2HG2 VAL 45 2HG2 VAL 45 11.124 -5.376 -17.855 348 3HG2 VAL 45 1HG2 VAL 45 9.442 -4.981 -17.503 349 H ASP 46 HN ASP 46 11.008 -9.506 -17.864 350 HA ASP 46 HA ASP 46 9.384 -11.419 -16.529 351 1HB ASP 46 HB2 ASP 46 11.180 -11.760 -18.939 352 2HB ASP 46 HB1 ASP 46 9.947 -12.902 -18.414 353 H GLU 47 HN GLU 47 12.869 -10.969 -16.792 354 HA GLU 47 HA GLU 47 13.611 -13.553 -15.851 355 1HB GLU 47 HB2 GLU 47 15.052 -10.911 -15.976 356 2HB GLU 47 HB1 GLU 47 15.801 -12.335 -15.268 357 1HG GLU 47 HG2 GLU 47 16.586 -12.537 -17.379 358 2HG GLU 47 HG1 GLU 47 15.067 -13.411 -17.572 359 H LYS 48 HN LYS 48 13.542 -10.399 -14.181 360 HA LYS 48 HA LYS 48 14.170 -11.286 -11.622 361 1HB LYS 48 HB2 LYS 48 13.883 -8.880 -12.593 362 2HB LYS 48 HB1 LYS 48 12.223 -9.044 -12.040 363 1HG LYS 48 HG2 LYS 48 12.785 -8.861 -9.865 364 2HG LYS 48 HG1 LYS 48 14.304 -9.736 -10.072 365 1HD LYS 48 HD2 LYS 48 14.941 -7.535 -9.554 366 2HD LYS 48 HD1 LYS 48 15.138 -7.663 -11.302 367 1HE LYS 48 HE2 LYS 48 12.522 -6.831 -11.008 368 2HE LYS 48 HE1 LYS 48 13.374 -5.955 -9.737 369 1HZ LYS 48 HZ3 LYS 48 14.109 -5.971 -12.617 370 2HZ LYS 48 HZ2 LYS 48 13.338 -4.705 -11.802 371 3HZ LYS 48 HZ1 LYS 48 14.925 -5.127 -11.397 372 H LEU 49 HN LEU 49 11.128 -11.435 -13.347 373 HA LEU 49 HA LEU 49 9.408 -11.846 -11.151 374 1HB LEU 49 HB2 LEU 49 9.210 -11.866 -14.002 375 2HB LEU 49 HB1 LEU 49 8.472 -13.335 -13.395 376 HG LEU 49 HG LEU 49 6.808 -11.583 -13.666 377 1HD1 LEU 49 2HD1 LEU 49 6.560 -13.227 -11.843 378 2HD1 LEU 49 1HD1 LEU 49 7.348 -12.093 -10.745 379 3HD1 LEU 49 3HD1 LEU 49 5.798 -11.678 -11.480 380 1HD2 LEU 49 2HD2 LEU 49 8.480 -10.025 -11.697 381 2HD2 LEU 49 1HD2 LEU 49 8.228 -9.634 -13.398 382 3HD2 LEU 49 3HD2 LEU 49 6.877 -9.564 -12.268 383 H ARG 50 HN ARG 50 10.677 -14.241 -13.472 384 HA ARG 50 HA ARG 50 9.989 -16.495 -11.921 385 1HB ARG 50 HB2 ARG 50 10.711 -16.260 -14.446 386 2HB ARG 50 HB1 ARG 50 12.319 -16.557 -13.798 387 1HG ARG 50 HG2 ARG 50 11.618 -18.677 -12.897 388 2HG ARG 50 HG1 ARG 50 9.948 -18.368 -13.380 389 1HD ARG 50 HD2 ARG 50 12.270 -18.553 -15.295 390 2HD ARG 50 HD1 ARG 50 11.194 -19.895 -14.909 391 HE ARG 50 HE ARG 50 10.634 -17.652 -16.622 392 1HH1 ARG 50 1HH1 ARG 50 9.208 -20.167 -14.645 393 2HH1 ARG 50 2HH1 ARG 50 7.699 -20.146 -15.492 394 1HH2 ARG 50 1HH2 ARG 50 8.643 -17.630 -17.732 395 2HH2 ARG 50 2HH2 ARG 50 7.378 -18.707 -17.244 396 H ASP 51 HN ASP 51 12.738 -14.338 -11.900 397 HA ASP 51 HA ASP 51 14.635 -15.901 -10.590 398 1HB ASP 51 HB2 ASP 51 14.198 -13.043 -11.043 399 2HB ASP 51 HB1 ASP 51 15.054 -13.381 -9.543 400 H LEU 52 HN LEU 52 12.231 -13.700 -9.151 401 HA LEU 52 HA LEU 52 12.856 -14.258 -6.469 402 1HB LEU 52 HB2 LEU 52 10.609 -12.997 -7.920 403 2HB LEU 52 HB1 LEU 52 10.236 -13.604 -6.319 404 HG LEU 52 HG LEU 52 12.328 -12.250 -5.576 405 1HD1 LEU 52 1HD1 LEU 52 13.093 -11.757 -7.866 406 2HD1 LEU 52 3HD1 LEU 52 11.631 -10.807 -8.129 407 3HD1 LEU 52 2HD1 LEU 52 12.806 -10.298 -6.917 408 1HD2 LEU 52 1HD2 LEU 52 10.034 -11.745 -4.910 409 2HD2 LEU 52 3HD2 LEU 52 10.941 -10.269 -5.234 410 3HD2 LEU 52 2HD2 LEU 52 9.782 -10.869 -6.420 411 H TYR 53 HN TYR 53 10.820 -15.939 -8.784 412 HA TYR 53 HA TYR 53 9.422 -17.559 -6.920 413 1HB TYR 53 HB2 TYR 53 9.940 -17.753 -9.875 414 2HB TYR 53 HB1 TYR 53 9.150 -19.072 -9.017 415 HD1 TYR 53 HD1 TYR 53 7.202 -18.115 -7.344 416 HD2 TYR 53 HD2 TYR 53 8.518 -16.309 -10.963 417 HE1 TYR 53 HE1 TYR 53 5.043 -16.956 -7.545 418 HE2 TYR 53 HE2 TYR 53 6.366 -15.145 -11.174 419 HH TYR 53 HH TYR 53 4.429 -14.461 -9.080 420 H SER 54 HN SER 54 12.371 -18.081 -8.835 421 HA SER 54 HA SER 54 12.865 -20.730 -8.040 422 1HB SER 54 HB2 SER 54 14.896 -18.609 -8.795 423 2HB SER 54 HB1 SER 54 15.159 -20.353 -8.808 424 HG SER 54 HG SER 54 13.796 -18.745 -10.605 425 H LYS 55 HN LYS 55 14.117 -17.660 -6.728 426 HA LYS 55 HA LYS 55 15.636 -18.777 -4.643 427 1HB LYS 55 HB2 LYS 55 15.581 -16.349 -5.585 428 2HB LYS 55 HB1 LYS 55 14.303 -16.096 -4.405 429 1HG LYS 55 HG2 LYS 55 16.228 -17.272 -2.880 430 2HG LYS 55 HG1 LYS 55 17.193 -16.347 -4.031 431 1HD LYS 55 HD2 LYS 55 16.865 -14.753 -2.422 432 2HD LYS 55 HD1 LYS 55 15.453 -14.452 -3.439 433 1HE LYS 55 HE2 LYS 55 14.149 -15.967 -1.940 434 2HE LYS 55 HE1 LYS 55 15.556 -16.044 -0.881 435 1HZ LYS 55 HZ2 LYS 55 15.414 -13.637 -0.600 436 2HZ LYS 55 HZ1 LYS 55 14.043 -13.587 -1.591 437 3HZ LYS 55 HZ3 LYS 55 13.986 -14.397 -0.106 438 H SER 56 HN SER 56 12.269 -17.685 -4.779 439 HA SER 56 HA SER 56 11.662 -17.958 -2.052 440 1HB SER 56 HB2 SER 56 10.020 -17.885 -4.556 441 2HB SER 56 HB1 SER 56 9.250 -18.268 -3.016 442 HG SER 56 HG SER 56 10.432 -15.888 -3.880 443 H THR 57 HN THR 57 12.192 -20.446 -4.393 444 HA THR 57 HA THR 57 10.452 -22.428 -3.496 445 HB THR 57 HB THR 57 13.260 -22.834 -4.545 446 HG1 THR 57 HG1 THR 57 10.804 -22.495 -5.921 447 1HG2 THR 57 1HG2 THR 57 10.857 -24.642 -4.562 448 2HG2 THR 57 3HG2 THR 57 12.328 -24.917 -5.496 449 3HG2 THR 57 2HG2 THR 57 12.391 -24.908 -3.734 450 H ALA 58 HN ALA 58 13.880 -21.981 -2.574 451 HA ALA 58 HA ALA 58 13.514 -23.746 -0.293 452 1HB ALA 58 HB3 ALA 58 15.544 -23.950 -1.627 453 2HB ALA 58 HB2 ALA 58 15.972 -22.281 -1.247 454 3HB ALA 58 HB1 ALA 58 15.920 -23.492 0.035 455 H ALA 59 HN ALA 59 14.272 -20.335 -0.911 456 HA ALA 59 HA ALA 59 14.677 -19.550 1.755 457 1HB ALA 59 HB3 ALA 59 14.456 -17.286 0.974 458 2HB ALA 59 HB1 ALA 59 13.650 -17.832 -0.496 459 3HB ALA 59 HB2 ALA 59 15.347 -18.227 -0.222 460 H MET 60 HN MET 60 11.772 -18.966 -0.256 461 HA MET 60 HA MET 60 10.184 -18.004 1.846 462 1HB MET 60 HB2 MET 60 9.871 -18.039 -0.805 463 2HB MET 60 HB1 MET 60 8.838 -19.404 -0.401 464 1HG MET 60 HG2 MET 60 7.903 -17.669 1.377 465 2HG MET 60 HG1 MET 60 8.499 -16.522 0.179 466 1HE MET 60 HE1 MET 60 5.860 -16.874 1.384 467 2HE MET 60 HE3 MET 60 4.964 -16.270 -0.010 468 3HE MET 60 HE2 MET 60 4.653 -17.894 0.601 469 H SER 61 HN SER 61 10.961 -21.282 0.950 470 HA SER 61 HA SER 61 8.723 -22.555 2.140 471 1HB SER 61 HB2 SER 61 10.191 -23.704 0.538 472 2HB SER 61 HB1 SER 61 11.518 -23.633 1.695 473 HG SER 61 HG SER 61 10.691 -25.273 2.725 474 H THR 62 HN THR 62 11.469 -21.013 3.495 475 HA THR 62 HA THR 62 11.135 -22.372 6.071 476 HB THR 62 HB THR 62 13.262 -20.360 5.318 477 HG1 THR 62 HG1 THR 62 13.829 -21.937 4.014 478 1HG2 THR 62 2HG2 THR 62 13.166 -22.444 7.485 479 2HG2 THR 62 1HG2 THR 62 14.560 -21.438 7.090 480 3HG2 THR 62 3HG2 THR 62 13.082 -20.696 7.701 481 H TYR 63 HN TYR 63 11.306 -19.101 4.680 482 HA TYR 63 HA TYR 63 10.586 -17.716 7.008 483 1HB TYR 63 HB2 TYR 63 10.636 -17.036 4.086 484 2HB TYR 63 HB1 TYR 63 9.908 -15.920 5.234 485 HD1 TYR 63 HD1 TYR 63 11.333 -14.120 5.495 486 HD2 TYR 63 HD2 TYR 63 12.987 -18.040 5.434 487 HE1 TYR 63 HE1 TYR 63 13.550 -13.186 5.999 488 HE2 TYR 63 HE2 TYR 63 15.208 -17.117 5.939 489 HH TYR 63 HH TYR 63 16.210 -14.366 5.462 490 H THR 64 HN THR 64 8.717 -19.544 4.734 491 HA THR 64 HA THR 64 6.248 -18.190 5.160 492 HB THR 64 HB THR 64 6.999 -20.849 3.996 493 HG1 THR 64 HG1 THR 64 5.586 -18.587 3.028 494 1HG2 THR 64 2HG2 THR 64 4.213 -20.009 4.721 495 2HG2 THR 64 1HG2 THR 64 4.556 -21.134 3.408 496 3HG2 THR 64 3HG2 THR 64 5.026 -21.537 5.059 497 H GLY 65 HN GLY 65 7.439 -21.316 6.377 498 1HA GLY 65 HA1 GLY 65 6.941 -22.456 8.314 499 2HA GLY 65 HA2 GLY 65 5.391 -21.623 8.308 500 H ILE 66 HN ILE 66 8.581 -20.124 8.378 501 HA ILE 66 HA ILE 66 8.731 -19.664 11.163 502 HB ILE 66 HB ILE 66 10.078 -18.349 8.814 503 1HG1 ILE 66 2HG1 ILE 66 10.738 -20.657 9.489 504 2HG1 ILE 66 1HG1 ILE 66 12.050 -19.491 9.620 505 1HG2 ILE 66 1HG2 ILE 66 10.242 -17.588 11.710 506 2HG2 ILE 66 3HG2 ILE 66 11.586 -17.304 10.605 507 3HG2 ILE 66 2HG2 ILE 66 10.021 -16.550 10.302 508 1HD1 ILE 66 3HD1 ILE 66 11.683 -19.359 12.032 509 2HD1 ILE 66 2HD1 ILE 66 10.375 -20.534 11.893 510 3HD1 ILE 66 1HD1 ILE 66 12.030 -21.007 11.511 511 H PHE 67 HN PHE 67 7.896 -17.426 8.509 512 HA PHE 67 HA PHE 67 7.181 -15.217 10.013 513 1HB PHE 67 HB2 PHE 67 6.321 -16.222 7.335 514 2HB PHE 67 HB1 PHE 67 5.430 -14.885 8.048 515 HD1 PHE 67 HD1 PHE 67 6.060 -13.322 6.344 516 HD2 PHE 67 HD2 PHE 67 9.026 -15.342 8.634 517 HE1 PHE 67 HE1 PHE 67 7.760 -11.742 5.531 518 HE2 PHE 67 HE2 PHE 67 10.729 -13.763 7.826 519 HZ PHE 67 HZ PHE 67 10.097 -11.961 6.273 520 H THR 68 HN THR 68 5.006 -17.806 8.888 521 HA THR 68 HA THR 68 2.730 -16.858 10.250 522 HB THR 68 HB THR 68 1.808 -19.143 9.867 523 HG1 THR 68 HG1 THR 68 3.427 -20.541 9.932 524 1HG2 THR 68 2HG2 THR 68 3.194 -17.944 7.482 525 2HG2 THR 68 1HG2 THR 68 1.908 -19.148 7.424 526 3HG2 THR 68 3HG2 THR 68 1.583 -17.542 8.073 527 H ASP 69 HN ASP 69 5.442 -18.735 11.286 528 HA ASP 69 HA ASP 69 4.360 -20.039 13.516 529 1HB ASP 69 HB2 ASP 69 6.671 -20.392 12.587 530 2HB ASP 69 HB1 ASP 69 7.151 -18.884 13.354 531 H GLN 70 HN GLN 70 6.002 -16.877 13.378 532 HA GLN 70 HA GLN 70 5.427 -16.209 16.083 533 1HB GLN 70 HB2 GLN 70 6.330 -14.562 13.723 534 2HB GLN 70 HB1 GLN 70 6.084 -13.872 15.320 535 1HG GLN 70 HG2 GLN 70 8.320 -14.293 15.395 536 2HG GLN 70 HG1 GLN 70 7.695 -15.800 16.063 537 1HE2 GLN 70 1HE2 GLN 70 8.354 -17.633 15.161 538 2HE2 GLN 70 2HE2 GLN 70 9.126 -17.777 13.622 539 H VAL 71 HN VAL 71 3.676 -15.856 13.103 540 HA VAL 71 HA VAL 71 1.879 -13.810 13.922 541 HB VAL 71 HB VAL 71 1.577 -15.951 11.801 542 1HG1 VAL 71 3HG1 VAL 71 -0.190 -13.625 12.514 543 2HG1 VAL 71 2HG1 VAL 71 -0.211 -14.375 10.918 544 3HG1 VAL 71 1HG1 VAL 71 -0.629 -15.325 12.344 545 1HG2 VAL 71 1HG2 VAL 71 3.305 -13.898 11.764 546 2HG2 VAL 71 3HG2 VAL 71 2.525 -14.531 10.315 547 3HG2 VAL 71 2HG2 VAL 71 1.880 -13.094 11.107 548 H LEU 72 HN LEU 72 1.603 -17.336 13.696 549 HA LEU 72 HA LEU 72 -0.911 -17.622 14.888 550 1HB LEU 72 HB2 LEU 72 1.396 -19.371 14.319 551 2HB LEU 72 HB1 LEU 72 0.402 -19.892 15.664 552 HG LEU 72 HG LEU 72 -0.274 -20.972 13.579 553 1HD1 LEU 72 1HD1 LEU 72 -1.932 -20.446 15.361 554 2HD1 LEU 72 3HD1 LEU 72 -2.370 -18.997 14.457 555 3HD1 LEU 72 2HD1 LEU 72 -2.625 -20.591 13.747 556 1HD2 LEU 72 2HD2 LEU 72 0.397 -19.214 12.022 557 2HD2 LEU 72 1HD2 LEU 72 -1.286 -19.679 11.773 558 3HD2 LEU 72 3HD2 LEU 72 -0.902 -18.181 12.621 559 H SER 73 HN SER 73 2.329 -17.268 16.205 560 HA SER 73 HA SER 73 1.791 -17.903 18.881 561 1HB SER 73 HB2 SER 73 4.060 -17.362 17.679 562 2HB SER 73 HB1 SER 73 3.717 -15.710 18.192 563 HG SER 73 HG SER 73 4.976 -16.955 19.708 564 H VAL 74 HN VAL 74 1.375 -14.897 17.098 565 HA VAL 74 HA VAL 74 0.613 -13.356 19.385 566 HB VAL 74 HB VAL 74 -0.161 -12.729 16.536 567 1HG1 VAL 74 3HG1 VAL 74 0.330 -11.029 18.977 568 2HG1 VAL 74 2HG1 VAL 74 0.061 -10.391 17.355 569 3HG1 VAL 74 1HG1 VAL 74 -1.208 -11.309 18.162 570 1HG2 VAL 74 2HG2 VAL 74 2.503 -12.841 17.725 571 2HG2 VAL 74 1HG2 VAL 74 2.020 -12.723 16.033 572 3HG2 VAL 74 3HG2 VAL 74 2.115 -11.269 17.026 573 H LEU 75 HN LEU 75 -0.989 -15.700 17.459 574 HA LEU 75 HA LEU 75 -3.658 -14.789 17.679 575 1HB LEU 75 HB2 LEU 75 -2.426 -16.877 16.408 576 2HB LEU 75 HB1 LEU 75 -3.285 -17.699 17.697 577 HG LEU 75 HG LEU 75 -5.129 -15.896 16.560 578 1HD1 LEU 75 1HD1 LEU 75 -3.621 -15.741 14.625 579 2HD1 LEU 75 3HD1 LEU 75 -3.696 -17.493 14.443 580 3HD1 LEU 75 2HD1 LEU 75 -5.150 -16.520 14.222 581 1HD2 LEU 75 1HD2 LEU 75 -5.627 -18.071 17.564 582 2HD2 LEU 75 3HD2 LEU 75 -6.309 -17.935 15.943 583 3HD2 LEU 75 2HD2 LEU 75 -4.842 -18.879 16.206 584 H LYS 76 HN LYS 76 -1.568 -16.643 19.753 585 HA LYS 76 HA LYS 76 -3.570 -17.436 21.627 586 1HB LYS 76 HB2 LYS 76 -0.559 -17.285 21.815 587 2HB LYS 76 HB1 LYS 76 -1.573 -17.888 23.119 588 1HG LYS 76 HG2 LYS 76 -1.315 -19.889 22.189 589 2HG LYS 76 HG1 LYS 76 -2.447 -19.334 20.955 590 1HD LYS 76 HD2 LYS 76 -0.177 -18.305 19.963 591 2HD LYS 76 HD1 LYS 76 0.488 -19.694 20.822 592 1HE LYS 76 HE2 LYS 76 -1.306 -21.069 19.638 593 2HE LYS 76 HE1 LYS 76 -1.537 -19.661 18.602 594 1HZ LYS 76 HZ1 LYS 76 0.925 -19.806 18.155 595 2HZ LYS 76 HZ3 LYS 76 0.893 -21.329 18.892 596 3HZ LYS 76 HZ2 LYS 76 -0.017 -21.045 17.496 597 H GLY 77 HN GLY 77 -1.201 -14.787 21.508 598 1HA GLY 77 HA1 GLY 77 -0.985 -12.885 22.789 599 2HA GLY 77 HA2 GLY 77 -1.917 -13.688 24.043 600 H GLU 78 HN GLU 78 -2.444 -12.349 20.774 601 HA GLU 78 HA GLU 78 -5.016 -11.271 21.715 602 1HB GLU 78 HB2 GLU 78 -2.915 -9.833 20.086 603 2HB GLU 78 HB1 GLU 78 -4.564 -9.255 20.275 604 1HG GLU 78 HG2 GLU 78 -3.549 -8.057 21.912 605 2HG GLU 78 HG1 GLU 78 -3.993 -9.491 22.835 606 H GLU 79 HN GLU 79 -3.229 -11.258 18.619 607 HA GLU 79 HA GLU 79 -5.027 -13.133 17.401 608 1HB GLU 79 HB2 GLU 79 -6.043 -10.634 17.454 609 2HB GLU 79 HB1 GLU 79 -5.100 -10.535 15.974 610 1HG GLU 79 HG2 GLU 79 -7.324 -12.458 16.601 611 2HG GLU 79 HG1 GLU 79 -7.327 -11.160 15.408 No H/Q in entry = 611 Start of MODEL 19 1 H1 THR 1 HT2 THR 1 21.913 6.103 36.684 2 H2 THR 1 HT1 THR 1 21.886 5.409 35.114 3 H3 THR 1 HT3 THR 1 20.491 6.194 35.729 4 HA THR 1 HA THR 1 20.265 4.555 37.421 5 HB THR 1 HB THR 1 20.610 3.312 34.683 6 HG1 THR 1 HG1 THR 1 19.182 4.723 34.106 7 1HG2 THR 1 1HG2 THR 1 20.039 1.720 36.480 8 2HG2 THR 1 3HG2 THR 1 18.595 2.672 36.820 9 3HG2 THR 1 2HG2 THR 1 18.781 1.878 35.256 10 H GLN 2 HN GLN 2 21.005 2.752 38.522 11 HA GLN 2 HA GLN 2 23.830 2.354 38.552 12 1HB GLN 2 HB2 GLN 2 21.514 1.147 40.031 13 2HB GLN 2 HB1 GLN 2 23.109 0.420 40.158 14 1HG GLN 2 HG2 GLN 2 23.026 1.834 41.982 15 2HG GLN 2 HG1 GLN 2 23.909 2.779 40.784 16 1HE2 GLN 2 1HE2 GLN 2 20.817 2.347 42.380 17 2HE2 GLN 2 2HE2 GLN 2 20.210 3.930 42.045 18 H GLN 3 HN GLN 3 21.092 0.231 37.686 19 HA GLN 3 HA GLN 3 22.975 -1.614 36.406 20 1HB GLN 3 HB2 GLN 3 20.278 -1.880 37.600 21 2HB GLN 3 HB1 GLN 3 20.590 -2.865 36.177 22 1HG GLN 3 HG2 GLN 3 22.403 -2.829 38.571 23 2HG GLN 3 HG1 GLN 3 21.050 -3.945 38.400 24 1HE2 GLN 3 1HE2 GLN 3 21.149 -5.576 36.844 25 2HE2 GLN 3 2HE2 GLN 3 22.636 -6.034 36.093 26 HA PRO 4 HA PRO 4 21.646 0.141 32.511 27 1HB PRO 4 HB2 PRO 4 23.338 -1.200 30.923 28 2HB PRO 4 HB1 PRO 4 23.897 0.083 32.002 29 1HG PRO 4 HG2 PRO 4 24.039 -2.883 32.350 30 2HG PRO 4 HG1 PRO 4 25.259 -1.652 32.721 31 1HD PRO 4 HD2 PRO 4 23.585 -2.792 34.586 32 2HD PRO 4 HD1 PRO 4 24.346 -1.200 34.767 33 H GLN 5 HN GLN 5 20.816 -2.815 33.702 34 HA GLN 5 HA GLN 5 20.098 -4.216 31.322 35 1HB GLN 5 HB2 GLN 5 19.028 -4.579 34.128 36 2HB GLN 5 HB1 GLN 5 18.881 -5.726 32.804 37 1HG GLN 5 HG2 GLN 5 21.414 -4.883 34.192 38 2HG GLN 5 HG1 GLN 5 20.607 -6.445 34.311 39 1HE2 GLN 5 1HE2 GLN 5 22.785 -4.496 32.531 40 2HE2 GLN 5 2HE2 GLN 5 23.164 -5.646 31.299 41 H GLN 6 HN GLN 6 18.310 -2.207 33.647 42 HA GLN 6 HA GLN 6 15.787 -2.490 32.380 43 1HB GLN 6 HB2 GLN 6 15.090 -0.590 33.775 44 2HB GLN 6 HB1 GLN 6 15.956 -1.799 34.710 45 1HG GLN 6 HG2 GLN 6 17.203 -0.145 35.493 46 2HG GLN 6 HG1 GLN 6 17.937 -0.046 33.894 47 1HE2 GLN 6 1HE2 GLN 6 16.169 1.585 36.242 48 2HE2 GLN 6 2HE2 GLN 6 15.714 2.963 35.305 49 H ASP 7 HN ASP 7 18.473 -0.263 31.944 50 HA ASP 7 HA ASP 7 17.070 1.614 30.325 51 1HB ASP 7 HB2 ASP 7 20.049 1.083 30.442 52 2HB ASP 7 HB1 ASP 7 19.270 2.527 29.802 53 H GLU 8 HN GLU 8 16.387 1.346 28.302 54 HA GLU 8 HA GLU 8 17.044 -0.960 26.766 55 1HB GLU 8 HB2 GLU 8 15.248 1.352 26.510 56 2HB GLU 8 HB1 GLU 8 15.865 0.756 24.976 57 1HG GLU 8 HG2 GLU 8 14.764 -1.205 26.922 58 2HG GLU 8 HG1 GLU 8 13.646 -0.178 26.028 59 H MET 9 HN MET 9 19.153 -1.107 26.191 60 HA MET 9 HA MET 9 20.733 1.075 25.294 61 1HB MET 9 HB2 MET 9 21.061 -1.865 25.515 62 2HB MET 9 HB1 MET 9 22.108 -1.044 24.366 63 1HG MET 9 HG2 MET 9 22.896 0.435 26.144 64 2HG MET 9 HG1 MET 9 21.852 -0.399 27.294 65 1HE MET 9 HE2 MET 9 22.578 -2.069 28.743 66 2HE MET 9 HE1 MET 9 24.195 -2.774 28.780 67 3HE MET 9 HE3 MET 9 23.989 -1.032 28.959 68 HA PRO 10 HA PRO 10 19.983 1.467 20.974 69 1HB PRO 10 HB2 PRO 10 22.491 1.185 19.860 70 2HB PRO 10 HB1 PRO 10 21.882 2.665 20.605 71 1HG PRO 10 HG2 PRO 10 23.651 0.550 21.761 72 2HG PRO 10 HG1 PRO 10 23.753 2.312 21.929 73 1HD PRO 10 HD2 PRO 10 22.755 0.778 23.885 74 2HD PRO 10 HD1 PRO 10 22.077 2.380 23.532 75 H SER 11 HN SER 11 21.993 -1.322 21.861 76 HA SER 11 HA SER 11 21.560 -2.715 19.404 77 1HB SER 11 HB2 SER 11 22.944 -3.241 21.943 78 2HB SER 11 HB1 SER 11 22.241 -4.678 21.201 79 HG SER 11 HG SER 11 24.445 -4.073 20.535 80 HA PRO 12 HA PRO 12 18.461 -5.404 22.176 81 1HB PRO 12 HB2 PRO 12 17.779 -3.228 24.100 82 2HB PRO 12 HB1 PRO 12 17.878 -4.973 24.363 83 1HG PRO 12 HG2 PRO 12 19.805 -3.363 25.234 84 2HG PRO 12 HG1 PRO 12 20.191 -4.947 24.539 85 1HD PRO 12 HD2 PRO 12 20.472 -2.230 23.341 86 2HD PRO 12 HD1 PRO 12 21.504 -3.660 23.154 87 H THR 13 HN THR 13 17.918 -1.868 22.131 88 HA THR 13 HA THR 13 15.189 -2.091 21.322 89 HB THR 13 HB THR 13 16.914 0.356 20.963 90 HG1 THR 13 HG1 THR 13 17.234 0.264 23.027 91 1HG2 THR 13 2HG2 THR 13 14.006 0.054 21.669 92 2HG2 THR 13 1HG2 THR 13 14.885 1.573 21.501 93 3HG2 THR 13 3HG2 THR 13 14.648 0.533 20.098 94 H PHE 14 HN PHE 14 14.314 -2.154 19.330 95 HA PHE 14 HA PHE 14 16.104 -2.499 17.073 96 1HB PHE 14 HB2 PHE 14 13.126 -2.853 17.413 97 2HB PHE 14 HB1 PHE 14 13.933 -3.027 15.857 98 HD1 PHE 14 HD1 PHE 14 15.272 -4.946 15.361 99 HD2 PHE 14 HD2 PHE 14 13.554 -4.444 19.222 100 HE1 PHE 14 HE1 PHE 14 15.798 -7.289 15.895 101 HE2 PHE 14 HE2 PHE 14 14.078 -6.786 19.763 102 HZ PHE 14 HZ PHE 14 15.201 -8.212 18.098 103 H LEU 15 HN LEU 15 13.668 -0.200 18.180 104 HA LEU 15 HA LEU 15 13.406 1.287 15.809 105 1HB LEU 15 HB2 LEU 15 12.063 1.344 18.056 106 2HB LEU 15 HB1 LEU 15 13.221 2.584 18.498 107 HG LEU 15 HG LEU 15 12.526 3.723 16.280 108 1HD1 LEU 15 2HD1 LEU 15 10.173 1.887 16.713 109 2HD1 LEU 15 1HD1 LEU 15 10.236 3.234 15.576 110 3HD1 LEU 15 3HD1 LEU 15 11.293 1.842 15.351 111 1HD2 LEU 15 2HD2 LEU 15 12.023 4.609 18.496 112 2HD2 LEU 15 1HD2 LEU 15 10.663 4.844 17.399 113 3HD2 LEU 15 3HD2 LEU 15 10.610 3.559 18.606 114 H THR 16 HN THR 16 15.649 1.623 18.541 115 HA THR 16 HA THR 16 16.852 4.034 17.813 116 HB THR 16 HB THR 16 18.832 3.193 19.118 117 HG1 THR 16 HG1 THR 16 18.900 1.065 18.958 118 1HG2 THR 16 3HG2 THR 16 16.107 2.939 20.352 119 2HG2 THR 16 2HG2 THR 16 17.608 2.848 21.275 120 3HG2 THR 16 1HG2 THR 16 17.200 4.323 20.397 121 H GLN 17 HN GLN 17 17.636 0.714 16.834 122 HA GLN 17 HA GLN 17 19.978 1.290 15.396 123 1HB GLN 17 HB2 GLN 17 17.968 -0.941 15.073 124 2HB GLN 17 HB1 GLN 17 19.501 -0.879 14.216 125 1HG GLN 17 HG2 GLN 17 19.206 -0.922 17.211 126 2HG GLN 17 HG1 GLN 17 19.550 -2.329 16.206 127 1HE2 GLN 17 1HE2 GLN 17 20.821 0.495 17.705 128 2HE2 GLN 17 2HE2 GLN 17 22.473 0.254 17.258 129 H VAL 18 HN VAL 18 16.599 1.089 14.334 130 HA VAL 18 HA VAL 18 16.520 1.218 11.703 131 HB VAL 18 HB VAL 18 15.081 3.206 13.463 132 1HG1 VAL 18 1HG1 VAL 18 14.685 2.435 10.586 133 2HG1 VAL 18 3HG1 VAL 18 13.383 3.115 11.563 134 3HG1 VAL 18 2HG1 VAL 18 14.854 4.047 11.281 135 1HG2 VAL 18 2HG2 VAL 18 14.470 0.401 12.579 136 2HG2 VAL 18 1HG2 VAL 18 14.494 1.064 14.212 137 3HG2 VAL 18 3HG2 VAL 18 13.200 1.508 13.101 138 H LYS 19 HN LYS 19 17.467 4.090 13.602 139 HA LYS 19 HA LYS 19 17.729 5.930 11.571 140 1HB LYS 19 HB2 LYS 19 19.275 5.590 14.130 141 2HB LYS 19 HB1 LYS 19 19.569 6.942 13.045 142 1HG LYS 19 HG2 LYS 19 16.842 6.324 14.136 143 2HG LYS 19 HG1 LYS 19 17.998 7.346 14.990 144 1HD LYS 19 HD2 LYS 19 17.832 9.043 13.469 145 2HD LYS 19 HD1 LYS 19 17.453 7.955 12.133 146 1HE LYS 19 HE2 LYS 19 15.222 7.565 13.279 147 2HE LYS 19 HE1 LYS 19 15.627 8.932 14.314 148 1HZ LYS 19 HZ3 LYS 19 15.819 10.316 12.330 149 2HZ LYS 19 HZ2 LYS 19 15.391 9.001 11.353 150 3HZ LYS 19 HZ1 LYS 19 14.274 9.634 12.455 151 H GLU 20 HN GLU 20 20.271 3.726 12.752 152 HA GLU 20 HA GLU 20 22.231 4.541 10.895 153 1HB GLU 20 HB2 GLU 20 21.945 1.889 12.316 154 2HB GLU 20 HB1 GLU 20 23.391 2.444 11.486 155 1HG GLU 20 HG2 GLU 20 24.009 3.108 13.532 156 2HG GLU 20 HG1 GLU 20 22.990 4.503 13.179 157 H SER 21 HN SER 21 19.602 2.276 10.714 158 HA SER 21 HA SER 21 20.410 0.807 8.449 159 1HB SER 21 HB2 SER 21 18.445 0.383 10.111 160 2HB SER 21 HB1 SER 21 17.519 1.403 9.010 161 HG SER 21 HG SER 21 17.680 -0.085 7.461 162 H LEU 22 HN LEU 22 18.804 3.915 8.797 163 HA LEU 22 HA LEU 22 18.017 4.179 6.075 164 1HB LEU 22 HB2 LEU 22 18.475 6.322 8.152 165 2HB LEU 22 HB1 LEU 22 17.633 6.538 6.630 166 HG LEU 22 HG LEU 22 16.608 4.465 8.508 167 1HD1 LEU 22 3HD1 LEU 22 17.108 6.558 9.837 168 2HD1 LEU 22 2HD1 LEU 22 15.897 7.365 8.841 169 3HD1 LEU 22 1HD1 LEU 22 15.435 6.000 9.857 170 1HD2 LEU 22 1HD2 LEU 22 15.611 4.754 6.294 171 2HD2 LEU 22 3HD2 LEU 22 14.470 5.169 7.574 172 3HD2 LEU 22 2HD2 LEU 22 15.276 6.446 6.664 173 H SER 23 HN SER 23 20.740 5.552 7.940 174 HA SER 23 HA SER 23 21.927 6.943 5.821 175 1HB SER 23 HB2 SER 23 24.019 6.845 7.190 176 2HB SER 23 HB1 SER 23 22.610 7.392 8.098 177 HG SER 23 HG SER 23 22.694 5.647 9.293 178 H SER 24 HN SER 24 22.526 3.644 7.001 179 HA SER 24 HA SER 24 24.551 3.007 5.140 180 1HB SER 24 HB2 SER 24 22.630 1.206 6.633 181 2HB SER 24 HB1 SER 24 24.034 0.638 5.728 182 HG SER 24 HG SER 24 23.902 1.981 8.163 183 H TYR 25 HN TYR 25 21.135 3.288 4.800 184 HA TYR 25 HA TYR 25 20.930 1.571 2.489 185 1HB TYR 25 HB2 TYR 25 19.108 2.798 4.286 186 2HB TYR 25 HB1 TYR 25 18.740 3.420 2.681 187 HD1 TYR 25 HD1 TYR 25 18.793 0.450 4.818 188 HD2 TYR 25 HD2 TYR 25 17.945 1.935 0.921 189 HE1 TYR 25 HE1 TYR 25 17.574 -1.620 4.301 190 HE2 TYR 25 HE2 TYR 25 16.723 -0.131 0.394 191 HH TYR 25 HH TYR 25 16.993 -2.800 1.637 192 H TRP 26 HN TRP 26 20.949 5.070 3.119 193 HA TRP 26 HA TRP 26 20.658 5.897 0.442 194 1HB TRP 26 HB2 TRP 26 21.089 7.137 2.994 195 2HB TRP 26 HB1 TRP 26 22.185 7.847 1.813 196 HD1 TRP 26 HD1 TRP 26 21.122 10.037 1.033 197 HE1 TRP 26 HE1 TRP 26 18.784 10.779 0.253 198 HE3 TRP 26 HE3 TRP 26 18.574 5.677 1.836 199 HZ2 TRP 26 HZ2 TRP 26 16.203 9.665 0.009 200 HZ3 TRP 26 HZ3 TRP 26 16.173 5.599 1.303 201 HH2 TRP 26 HH2 TRP 26 15.013 7.553 0.409 202 H GLU 27 HN GLU 27 23.462 4.998 2.336 203 HA GLU 27 HA GLU 27 25.609 5.984 1.026 204 1HB GLU 27 HB2 GLU 27 25.058 3.508 2.497 205 2HB GLU 27 HB1 GLU 27 26.389 3.366 1.358 206 1HG GLU 27 HG2 GLU 27 27.751 4.608 2.611 207 2HG GLU 27 HG1 GLU 27 26.496 5.794 2.969 208 H SER 28 HN SER 28 24.061 2.904 0.119 209 HA SER 28 HA SER 28 25.261 3.120 -2.547 210 1HB SER 28 HB2 SER 28 23.980 0.807 -1.083 211 2HB SER 28 HB1 SER 28 24.474 0.728 -2.774 212 HG SER 28 HG SER 28 26.050 -0.030 -1.184 213 H ALA 29 HN ALA 29 22.470 4.132 -1.131 214 HA ALA 29 HA ALA 29 20.423 3.184 -2.805 215 1HB ALA 29 HB1 ALA 29 19.872 4.339 -0.779 216 2HB ALA 29 HB2 ALA 29 19.193 5.237 -2.134 217 3HB ALA 29 HB3 ALA 29 20.663 5.809 -1.347 218 H LYS 30 HN LYS 30 22.622 5.947 -3.186 219 HA LYS 30 HA LYS 30 21.450 7.180 -5.365 220 1HB LYS 30 HB2 LYS 30 23.463 7.961 -4.026 221 2HB LYS 30 HB1 LYS 30 24.431 6.894 -5.032 222 1HG LYS 30 HG2 LYS 30 24.205 8.204 -6.891 223 2HG LYS 30 HG1 LYS 30 22.656 8.869 -6.367 224 1HD LYS 30 HD2 LYS 30 24.084 10.672 -6.096 225 2HD LYS 30 HD1 LYS 30 24.057 9.970 -4.477 226 1HE LYS 30 HE2 LYS 30 26.127 8.969 -6.345 227 2HE LYS 30 HE1 LYS 30 26.319 10.616 -5.748 228 1HZ LYS 30 HZ2 LYS 30 26.081 9.696 -3.469 229 2HZ LYS 30 HZ1 LYS 30 26.115 8.138 -4.127 230 3HZ LYS 30 HZ3 LYS 30 27.460 9.153 -4.284 231 H THR 31 HN THR 31 23.953 4.650 -5.472 232 HA THR 31 HA THR 31 24.197 4.331 -8.195 233 HB THR 31 HB THR 31 24.118 2.008 -6.262 234 HG1 THR 31 HG1 THR 31 26.208 3.872 -6.713 235 1HG2 THR 31 3HG2 THR 31 25.731 2.490 -8.754 236 2HG2 THR 31 2HG2 THR 31 25.941 1.129 -7.652 237 3HG2 THR 31 1HG2 THR 31 24.431 1.317 -8.545 238 H ALA 32 HN ALA 32 21.730 3.096 -6.013 239 HA ALA 32 HA ALA 32 20.361 1.452 -7.853 240 1HB ALA 32 HB1 ALA 32 18.861 2.871 -5.703 241 2HB ALA 32 HB3 ALA 32 18.760 1.191 -6.231 242 3HB ALA 32 HB2 ALA 32 20.123 1.727 -5.246 243 H ALA 33 HN ALA 33 19.949 4.872 -6.949 244 HA ALA 33 HA ALA 33 17.680 5.505 -8.374 245 1HB ALA 33 HB1 ALA 33 19.043 7.009 -6.847 246 2HB ALA 33 HB3 ALA 33 20.045 7.352 -8.256 247 3HB ALA 33 HB2 ALA 33 18.332 7.767 -8.271 248 H GLN 34 HN GLN 34 21.015 5.739 -9.605 249 HA GLN 34 HA GLN 34 20.242 6.368 -12.250 250 1HB GLN 34 HB2 GLN 34 22.792 5.097 -11.228 251 2HB GLN 34 HB1 GLN 34 22.567 5.725 -12.854 252 1HG GLN 34 HG2 GLN 34 22.959 7.816 -12.213 253 2HG GLN 34 HG1 GLN 34 21.900 7.676 -10.811 254 1HE2 GLN 34 1HE2 GLN 34 25.150 7.240 -12.011 255 2HE2 GLN 34 2HE2 GLN 34 25.919 7.154 -10.468 256 H ASN 35 HN ASN 35 20.831 3.346 -10.551 257 HA ASN 35 HA ASN 35 20.770 1.626 -12.782 258 1HB ASN 35 HB2 ASN 35 21.438 1.129 -10.316 259 2HB ASN 35 HB1 ASN 35 19.725 0.790 -10.092 260 1HD2 ASN 35 1HD2 ASN 35 18.777 -0.932 -11.287 261 2HD2 ASN 35 2HD2 ASN 35 19.753 -2.225 -11.889 262 H LEU 36 HN LEU 36 18.248 3.203 -11.008 263 HA LEU 36 HA LEU 36 16.037 1.634 -11.687 264 1HB LEU 36 HB2 LEU 36 16.188 3.704 -10.126 265 2HB LEU 36 HB1 LEU 36 15.935 4.642 -11.585 266 HG LEU 36 HG LEU 36 13.995 2.461 -11.010 267 1HD1 LEU 36 3HD1 LEU 36 14.269 3.511 -8.827 268 2HD1 LEU 36 2HD1 LEU 36 14.000 5.098 -9.546 269 3HD1 LEU 36 1HD1 LEU 36 12.701 3.907 -9.528 270 1HD2 LEU 36 3HD2 LEU 36 13.799 5.254 -12.133 271 2HD2 LEU 36 2HD2 LEU 36 13.754 3.742 -13.038 272 3HD2 LEU 36 1HD2 LEU 36 12.438 4.150 -11.938 273 H TYR 37 HN TYR 37 17.621 4.333 -13.280 274 HA TYR 37 HA TYR 37 15.998 4.399 -15.601 275 1HB TYR 37 HB2 TYR 37 17.813 6.095 -14.675 276 2HB TYR 37 HB1 TYR 37 18.888 5.172 -15.719 277 HD1 TYR 37 HD1 TYR 37 18.925 5.551 -18.046 278 HD2 TYR 37 HD2 TYR 37 15.780 7.197 -15.703 279 HE1 TYR 37 HE1 TYR 37 18.188 6.877 -19.978 280 HE2 TYR 37 HE2 TYR 37 15.032 8.528 -17.629 281 HH TYR 37 HH TYR 37 16.540 9.404 -19.960 282 H GLU 38 HN GLU 38 18.910 2.636 -14.689 283 HA GLU 38 HA GLU 38 19.589 1.552 -17.179 284 1HB GLU 38 HB2 GLU 38 21.071 1.426 -15.237 285 2HB GLU 38 HB1 GLU 38 19.953 0.331 -14.438 286 1HG GLU 38 HG2 GLU 38 20.838 -0.550 -17.090 287 2HG GLU 38 HG1 GLU 38 22.117 -0.433 -15.882 288 H LYS 39 HN LYS 39 17.751 -0.047 -14.590 289 HA LYS 39 HA LYS 39 17.008 -2.288 -16.101 290 1HB LYS 39 HB2 LYS 39 15.401 -2.747 -14.322 291 2HB LYS 39 HB1 LYS 39 16.955 -2.261 -13.661 292 1HG LYS 39 HG2 LYS 39 16.102 -0.040 -13.205 293 2HG LYS 39 HG1 LYS 39 14.559 -0.457 -13.951 294 1HD LYS 39 HD2 LYS 39 14.095 -2.069 -12.238 295 2HD LYS 39 HD1 LYS 39 15.715 -1.887 -11.561 296 1HE LYS 39 HE2 LYS 39 15.238 0.148 -10.609 297 2HE LYS 39 HE1 LYS 39 13.972 0.519 -11.778 298 1HZ LYS 39 HZ1 LYS 39 13.763 -1.488 -9.597 299 2HZ LYS 39 HZ3 LYS 39 13.065 0.053 -9.583 300 3HZ LYS 39 HZ2 LYS 39 12.545 -1.101 -10.705 301 H THR 40 HN THR 40 15.924 0.894 -16.488 302 HA THR 40 HA THR 40 13.187 0.437 -17.068 303 HB THR 40 HB THR 40 15.054 2.601 -18.057 304 HG1 THR 40 HG1 THR 40 14.760 2.709 -15.847 305 1HG2 THR 40 1HG2 THR 40 12.064 2.407 -18.248 306 2HG2 THR 40 3HG2 THR 40 12.958 3.921 -18.387 307 3HG2 THR 40 2HG2 THR 40 13.225 2.628 -19.557 308 H TYR 41 HN TYR 41 15.971 0.851 -19.219 309 HA TYR 41 HA TYR 41 14.608 0.130 -21.592 310 1HB TYR 41 HB2 TYR 41 17.571 0.057 -20.987 311 2HB TYR 41 HB1 TYR 41 16.857 -0.046 -22.592 312 HD1 TYR 41 HD1 TYR 41 18.030 2.143 -20.012 313 HD2 TYR 41 HD2 TYR 41 15.492 1.941 -23.422 314 HE1 TYR 41 HE1 TYR 41 18.068 4.595 -20.179 315 HE2 TYR 41 HE2 TYR 41 15.525 4.393 -23.599 316 HH TYR 41 HH TYR 41 16.059 6.380 -21.530 317 H LEU 42 HN LEU 42 16.531 -1.741 -19.282 318 HA LEU 42 HA LEU 42 16.603 -4.132 -20.810 319 1HB LEU 42 HB2 LEU 42 17.212 -3.380 -17.995 320 2HB LEU 42 HB1 LEU 42 16.987 -5.081 -18.357 321 HG LEU 42 HG LEU 42 18.741 -4.693 -20.223 322 1HD1 LEU 42 2HD1 LEU 42 19.145 -2.265 -18.491 323 2HD1 LEU 42 1HD1 LEU 42 20.391 -2.919 -19.555 324 3HD1 LEU 42 3HD1 LEU 42 18.876 -2.325 -20.233 325 1HD2 LEU 42 1HD2 LEU 42 19.288 -4.810 -17.275 326 2HD2 LEU 42 3HD2 LEU 42 19.324 -6.113 -18.463 327 3HD2 LEU 42 2HD2 LEU 42 20.591 -4.887 -18.461 328 HA PRO 43 HA PRO 43 12.531 -5.650 -19.786 329 1HB PRO 43 HB2 PRO 43 12.567 -7.830 -21.310 330 2HB PRO 43 HB1 PRO 43 12.622 -6.221 -22.039 331 1HG PRO 43 HG2 PRO 43 14.812 -8.204 -21.658 332 2HG PRO 43 HG1 PRO 43 14.549 -7.059 -22.983 333 1HD PRO 43 HD2 PRO 43 16.279 -6.719 -20.777 334 2HD PRO 43 HD1 PRO 43 15.809 -5.480 -21.957 335 H ALA 44 HN ALA 44 14.623 -6.203 -17.821 336 HA ALA 44 HA ALA 44 14.799 -8.948 -17.188 337 1HB ALA 44 HB3 ALA 44 15.091 -6.576 -15.352 338 2HB ALA 44 HB2 ALA 44 15.654 -8.217 -15.036 339 3HB ALA 44 HB1 ALA 44 16.371 -7.275 -16.342 340 H VAL 45 HN VAL 45 12.207 -6.757 -16.818 341 HA VAL 45 HA VAL 45 10.903 -7.321 -14.532 342 HB VAL 45 HB VAL 45 8.727 -7.177 -15.843 343 1HG1 VAL 45 3HG1 VAL 45 9.871 -5.258 -14.793 344 2HG1 VAL 45 2HG1 VAL 45 10.742 -4.983 -16.302 345 3HG1 VAL 45 1HG1 VAL 45 8.987 -4.815 -16.254 346 1HG2 VAL 45 2HG2 VAL 45 10.698 -7.161 -18.081 347 2HG2 VAL 45 1HG2 VAL 45 9.104 -7.908 -17.987 348 3HG2 VAL 45 3HG2 VAL 45 9.250 -6.164 -18.210 349 H ASP 46 HN ASP 46 10.756 -9.372 -17.442 350 HA ASP 46 HA ASP 46 9.153 -11.359 -16.112 351 1HB ASP 46 HB2 ASP 46 10.622 -11.770 -18.709 352 2HB ASP 46 HB1 ASP 46 9.131 -12.528 -18.164 353 H GLU 47 HN GLU 47 12.579 -10.954 -16.889 354 HA GLU 47 HA GLU 47 13.364 -13.621 -16.286 355 1HB GLU 47 HB2 GLU 47 14.880 -11.018 -16.413 356 2HB GLU 47 HB1 GLU 47 15.666 -12.540 -16.017 357 1HG GLU 47 HG2 GLU 47 16.046 -12.510 -18.248 358 2HG GLU 47 HG1 GLU 47 14.478 -13.316 -18.250 359 H LYS 48 HN LYS 48 13.729 -10.623 -14.381 360 HA LYS 48 HA LYS 48 14.705 -11.803 -12.046 361 1HB LYS 48 HB2 LYS 48 14.246 -9.250 -12.854 362 2HB LYS 48 HB1 LYS 48 12.956 -9.454 -11.676 363 1HG LYS 48 HG2 LYS 48 14.408 -9.671 -9.916 364 2HG LYS 48 HG1 LYS 48 15.725 -10.256 -10.933 365 1HD LYS 48 HD2 LYS 48 14.702 -7.461 -11.250 366 2HD LYS 48 HD1 LYS 48 15.831 -7.851 -9.951 367 1HE LYS 48 HE2 LYS 48 17.544 -8.368 -11.415 368 2HE LYS 48 HE1 LYS 48 16.441 -8.708 -12.747 369 1HZ LYS 48 HZ2 LYS 48 17.015 -6.013 -11.639 370 2HZ LYS 48 HZ1 LYS 48 17.647 -6.636 -13.079 371 3HZ LYS 48 HZ3 LYS 48 15.985 -6.349 -12.938 372 H LEU 49 HN LEU 49 11.447 -11.603 -13.276 373 HA LEU 49 HA LEU 49 10.037 -12.051 -10.876 374 1HB LEU 49 HB2 LEU 49 9.394 -11.725 -13.590 375 2HB LEU 49 HB1 LEU 49 8.772 -13.305 -13.156 376 HG LEU 49 HG LEU 49 7.632 -12.148 -11.184 377 1HD1 LEU 49 3HD1 LEU 49 9.038 -10.062 -11.447 378 2HD1 LEU 49 2HD1 LEU 49 8.040 -9.678 -12.849 379 3HD1 LEU 49 1HD1 LEU 49 7.303 -9.813 -11.252 380 1HD2 LEU 49 3HD2 LEU 49 6.429 -12.955 -13.145 381 2HD2 LEU 49 2HD2 LEU 49 5.748 -11.434 -12.568 382 3HD2 LEU 49 1HD2 LEU 49 6.786 -11.450 -13.994 383 H ARG 50 HN ARG 50 10.791 -14.350 -13.499 384 HA ARG 50 HA ARG 50 10.167 -16.659 -11.999 385 1HB ARG 50 HB2 ARG 50 10.638 -16.234 -14.607 386 2HB ARG 50 HB1 ARG 50 12.223 -16.836 -14.144 387 1HG ARG 50 HG2 ARG 50 11.100 -18.741 -14.831 388 2HG ARG 50 HG1 ARG 50 10.940 -18.789 -13.074 389 1HD ARG 50 HD2 ARG 50 8.708 -17.629 -13.387 390 2HD ARG 50 HD1 ARG 50 8.880 -17.966 -15.108 391 HE ARG 50 HE ARG 50 8.374 -20.163 -14.702 392 1HH1 ARG 50 1HH1 ARG 50 9.088 -18.600 -11.650 393 2HH1 ARG 50 2HH1 ARG 50 8.566 -19.949 -10.699 394 1HH2 ARG 50 1HH2 ARG 50 7.687 -21.934 -13.442 395 2HH2 ARG 50 2HH2 ARG 50 7.771 -21.840 -11.714 396 H ASP 51 HN ASP 51 13.064 -14.718 -12.345 397 HA ASP 51 HA ASP 51 14.994 -16.461 -11.350 398 1HB ASP 51 HB2 ASP 51 15.593 -14.329 -12.354 399 2HB ASP 51 HB1 ASP 51 14.798 -13.456 -11.048 400 H LEU 52 HN LEU 52 13.346 -13.901 -9.472 401 HA LEU 52 HA LEU 52 14.225 -14.875 -6.969 402 1HB LEU 52 HB2 LEU 52 12.681 -13.293 -5.987 403 2HB LEU 52 HB1 LEU 52 13.534 -12.554 -7.326 404 HG LEU 52 HG LEU 52 11.332 -13.354 -8.633 405 1HD1 LEU 52 3HD1 LEU 52 10.537 -13.063 -5.757 406 2HD1 LEU 52 2HD1 LEU 52 9.408 -12.718 -7.068 407 3HD1 LEU 52 1HD1 LEU 52 10.106 -14.330 -6.905 408 1HD2 LEU 52 3HD2 LEU 52 12.353 -11.060 -8.409 409 2HD2 LEU 52 2HD2 LEU 52 10.595 -11.105 -8.549 410 3HD2 LEU 52 1HD2 LEU 52 11.347 -10.843 -6.976 411 H TYR 53 HN TYR 53 11.617 -15.842 -9.024 412 HA TYR 53 HA TYR 53 9.888 -16.929 -7.061 413 1HB TYR 53 HB2 TYR 53 9.648 -16.494 -9.715 414 2HB TYR 53 HB1 TYR 53 9.976 -18.222 -9.728 415 HD1 TYR 53 HD1 TYR 53 7.464 -15.770 -9.466 416 HD2 TYR 53 HD2 TYR 53 8.517 -19.648 -8.064 417 HE1 TYR 53 HE1 TYR 53 5.105 -16.212 -8.935 418 HE2 TYR 53 HE2 TYR 53 6.161 -20.101 -7.531 419 HH TYR 53 HH TYR 53 3.989 -18.168 -6.997 420 H SER 54 HN SER 54 12.373 -18.434 -9.136 421 HA SER 54 HA SER 54 12.102 -21.044 -8.137 422 1HB SER 54 HB2 SER 54 14.452 -21.362 -9.021 423 2HB SER 54 HB1 SER 54 13.293 -20.731 -10.189 424 HG SER 54 HG SER 54 14.358 -18.904 -10.265 425 H LYS 55 HN LYS 55 14.255 -18.391 -7.150 426 HA LYS 55 HA LYS 55 15.667 -19.798 -5.163 427 1HB LYS 55 HB2 LYS 55 15.229 -16.948 -5.859 428 2HB LYS 55 HB1 LYS 55 15.734 -17.273 -4.207 429 1HG LYS 55 HG2 LYS 55 17.769 -17.025 -5.182 430 2HG LYS 55 HG1 LYS 55 17.547 -18.759 -5.420 431 1HD LYS 55 HD2 LYS 55 16.312 -17.527 -7.614 432 2HD LYS 55 HD1 LYS 55 17.831 -16.663 -7.376 433 1HE LYS 55 HE2 LYS 55 18.382 -18.420 -8.817 434 2HE LYS 55 HE1 LYS 55 18.914 -18.974 -7.230 435 1HZ LYS 55 HZ1 LYS 55 16.335 -19.720 -8.502 436 2HZ LYS 55 HZ3 LYS 55 17.722 -20.689 -8.494 437 3HZ LYS 55 HZ2 LYS 55 16.944 -20.315 -7.040 438 H SER 56 HN SER 56 12.759 -17.761 -4.972 439 HA SER 56 HA SER 56 12.370 -17.951 -2.197 440 1HB SER 56 HB2 SER 56 10.569 -17.285 -4.502 441 2HB SER 56 HB1 SER 56 9.915 -17.420 -2.870 442 HG SER 56 HG SER 56 10.997 -15.670 -2.269 443 H THR 57 HN THR 57 11.853 -20.369 -4.614 444 HA THR 57 HA THR 57 9.675 -21.751 -3.558 445 HB THR 57 HB THR 57 12.092 -22.977 -4.903 446 HG1 THR 57 HG1 THR 57 9.772 -21.785 -6.016 447 1HG2 THR 57 1HG2 THR 57 9.236 -23.902 -4.731 448 2HG2 THR 57 3HG2 THR 57 10.459 -24.598 -5.793 449 3HG2 THR 57 2HG2 THR 57 10.656 -24.690 -4.042 450 H ALA 58 HN ALA 58 13.152 -22.328 -2.961 451 HA ALA 58 HA ALA 58 12.513 -24.074 -0.726 452 1HB ALA 58 HB3 ALA 58 14.306 -24.718 -2.248 453 2HB ALA 58 HB2 ALA 58 15.188 -23.245 -1.844 454 3HB ALA 58 HB1 ALA 58 14.919 -24.478 -0.611 455 H ALA 59 HN ALA 59 14.104 -20.948 -1.277 456 HA ALA 59 HA ALA 59 14.900 -20.461 1.372 457 1HB ALA 59 HB3 ALA 59 15.131 -18.124 0.691 458 2HB ALA 59 HB1 ALA 59 14.240 -18.467 -0.790 459 3HB ALA 59 HB2 ALA 59 15.809 -19.221 -0.510 460 H MET 60 HN MET 60 12.129 -18.987 -0.352 461 HA MET 60 HA MET 60 11.001 -17.800 1.925 462 1HB MET 60 HB2 MET 60 10.523 -17.537 -0.683 463 2HB MET 60 HB1 MET 60 9.199 -18.625 -0.292 464 1HG MET 60 HG2 MET 60 9.019 -16.756 1.694 465 2HG MET 60 HG1 MET 60 9.549 -15.796 0.315 466 1HE MET 60 HE2 MET 60 6.954 -15.816 2.139 467 2HE MET 60 HE1 MET 60 6.758 -14.596 0.881 468 3HE MET 60 HE3 MET 60 5.504 -15.809 1.135 469 H SER 61 HN SER 61 10.868 -21.096 0.848 470 HA SER 61 HA SER 61 8.423 -21.843 2.074 471 1HB SER 61 HB2 SER 61 10.678 -23.205 0.799 472 2HB SER 61 HB1 SER 61 9.958 -24.136 2.112 473 HG SER 61 HG SER 61 8.887 -23.388 -0.338 474 H THR 62 HN THR 62 11.440 -21.007 3.431 475 HA THR 62 HA THR 62 10.958 -22.515 5.891 476 HB THR 62 HB THR 62 13.299 -20.701 5.285 477 HG1 THR 62 HG1 THR 62 13.644 -22.166 3.786 478 1HG2 THR 62 3HG2 THR 62 13.004 -23.011 7.190 479 2HG2 THR 62 2HG2 THR 62 14.493 -22.121 6.875 480 3HG2 THR 62 1HG2 THR 62 13.118 -21.304 7.620 481 H TYR 63 HN TYR 63 11.598 -19.170 4.850 482 HA TYR 63 HA TYR 63 11.008 -17.964 7.318 483 1HB TYR 63 HB2 TYR 63 11.120 -16.901 4.499 484 2HB TYR 63 HB1 TYR 63 10.745 -15.872 5.876 485 HD1 TYR 63 HD1 TYR 63 13.358 -17.755 4.151 486 HD2 TYR 63 HD2 TYR 63 12.454 -15.350 7.543 487 HE1 TYR 63 HE1 TYR 63 15.762 -17.443 4.563 488 HE2 TYR 63 HE2 TYR 63 14.856 -15.031 7.963 489 HH TYR 63 HH TYR 63 17.109 -16.710 7.137 490 H THR 64 HN THR 64 8.974 -19.250 4.836 491 HA THR 64 HA THR 64 6.711 -17.607 5.354 492 HB THR 64 HB THR 64 7.108 -20.225 3.943 493 HG1 THR 64 HG1 THR 64 6.108 -17.689 3.156 494 1HG2 THR 64 1HG2 THR 64 4.457 -19.017 4.658 495 2HG2 THR 64 3HG2 THR 64 4.681 -20.052 3.247 496 3HG2 THR 64 2HG2 THR 64 5.001 -20.683 4.863 497 H GLY 65 HN GLY 65 7.381 -20.988 6.252 498 1HA GLY 65 HA1 GLY 65 6.658 -22.226 8.052 499 2HA GLY 65 HA2 GLY 65 5.244 -21.177 8.096 500 H ILE 66 HN ILE 66 8.620 -20.208 8.406 501 HA ILE 66 HA ILE 66 8.712 -20.034 11.226 502 HB ILE 66 HB ILE 66 10.355 -18.710 9.073 503 1HG1 ILE 66 2HG1 ILE 66 10.604 -21.159 9.441 504 2HG1 ILE 66 1HG1 ILE 66 12.078 -20.261 9.777 505 1HG2 ILE 66 2HG2 ILE 66 10.508 -18.354 12.047 506 2HG2 ILE 66 1HG2 ILE 66 11.937 -18.180 11.027 507 3HG2 ILE 66 3HG2 ILE 66 10.543 -17.130 10.777 508 1HD1 ILE 66 3HD1 ILE 66 11.596 -20.387 12.174 509 2HD1 ILE 66 2HD1 ILE 66 10.135 -21.310 11.821 510 3HD1 ILE 66 1HD1 ILE 66 11.717 -21.985 11.435 511 H PHE 67 HN PHE 67 8.424 -17.432 8.794 512 HA PHE 67 HA PHE 67 7.964 -15.302 10.497 513 1HB PHE 67 HB2 PHE 67 8.307 -15.012 8.090 514 2HB PHE 67 HB1 PHE 67 6.744 -15.750 7.762 515 HD1 PHE 67 HD1 PHE 67 4.744 -14.497 7.891 516 HD2 PHE 67 HD2 PHE 67 8.414 -12.803 9.223 517 HE1 PHE 67 HE1 PHE 67 3.671 -12.288 8.026 518 HE2 PHE 67 HE2 PHE 67 7.346 -10.591 9.363 519 HZ PHE 67 HZ PHE 67 4.971 -10.331 8.764 520 H THR 68 HN THR 68 5.470 -17.290 8.904 521 HA THR 68 HA THR 68 3.294 -16.130 10.259 522 HB THR 68 HB THR 68 3.412 -18.898 9.061 523 HG1 THR 68 HG1 THR 68 3.795 -17.823 7.299 524 1HG2 THR 68 2HG2 THR 68 1.133 -17.032 9.632 525 2HG2 THR 68 1HG2 THR 68 1.016 -18.371 8.489 526 3HG2 THR 68 3HG2 THR 68 1.358 -18.691 10.189 527 H ASP 69 HN ASP 69 5.589 -18.485 11.258 528 HA ASP 69 HA ASP 69 4.107 -19.951 13.125 529 1HB ASP 69 HB2 ASP 69 6.789 -19.818 12.384 530 2HB ASP 69 HB1 ASP 69 6.795 -19.367 14.086 531 H GLN 70 HN GLN 70 6.150 -17.088 13.746 532 HA GLN 70 HA GLN 70 5.201 -16.737 16.405 533 1HB GLN 70 HB2 GLN 70 6.732 -14.929 14.539 534 2HB GLN 70 HB1 GLN 70 6.322 -14.471 16.185 535 1HG GLN 70 HG2 GLN 70 7.625 -16.277 17.075 536 2HG GLN 70 HG1 GLN 70 7.926 -16.910 15.456 537 1HE2 GLN 70 1HE2 GLN 70 9.283 -15.705 14.040 538 2HE2 GLN 70 2HE2 GLN 70 10.455 -14.605 14.671 539 H VAL 71 HN VAL 71 4.037 -15.707 13.310 540 HA VAL 71 HA VAL 71 2.469 -13.496 14.166 541 HB VAL 71 HB VAL 71 2.168 -15.283 11.740 542 1HG1 VAL 71 1HG1 VAL 71 0.714 -12.773 12.529 543 2HG1 VAL 71 3HG1 VAL 71 0.818 -13.321 10.857 544 3HG1 VAL 71 2HG1 VAL 71 0.036 -14.334 12.069 545 1HG2 VAL 71 2HG2 VAL 71 4.200 -13.612 12.210 546 2HG2 VAL 71 1HG2 VAL 71 3.535 -13.874 10.598 547 3HG2 VAL 71 3HG2 VAL 71 3.047 -12.461 11.535 548 H LEU 72 HN LEU 72 1.663 -16.855 13.357 549 HA LEU 72 HA LEU 72 -1.010 -16.829 14.184 550 1HB LEU 72 HB2 LEU 72 0.324 -18.642 12.895 551 2HB LEU 72 HB1 LEU 72 0.769 -19.233 14.484 552 HG LEU 72 HG LEU 72 -1.770 -19.313 14.945 553 1HD1 LEU 72 2HD1 LEU 72 -1.771 -19.221 11.931 554 2HD1 LEU 72 1HD1 LEU 72 -3.145 -19.660 12.945 555 3HD1 LEU 72 3HD1 LEU 72 -2.485 -18.026 13.014 556 1HD2 LEU 72 1HD2 LEU 72 -0.492 -21.205 12.975 557 2HD2 LEU 72 3HD2 LEU 72 -0.373 -21.291 14.732 558 3HD2 LEU 72 2HD2 LEU 72 -1.929 -21.543 13.940 559 H SER 73 HN SER 73 2.016 -17.251 15.917 560 HA SER 73 HA SER 73 1.008 -18.161 18.366 561 1HB SER 73 HB2 SER 73 3.473 -17.894 17.571 562 2HB SER 73 HB1 SER 73 3.338 -16.267 18.234 563 HG SER 73 HG SER 73 4.126 -17.669 19.810 564 H VAL 74 HN VAL 74 1.230 -14.924 17.034 565 HA VAL 74 HA VAL 74 0.482 -13.573 19.439 566 HB VAL 74 HB VAL 74 0.211 -12.592 16.589 567 1HG1 VAL 74 2HG1 VAL 74 -0.063 -11.307 19.256 568 2HG1 VAL 74 1HG1 VAL 74 0.652 -10.371 17.944 569 3HG1 VAL 74 3HG1 VAL 74 -0.972 -11.035 17.768 570 1HG2 VAL 74 2HG2 VAL 74 2.557 -13.065 18.225 571 2HG2 VAL 74 1HG2 VAL 74 2.438 -12.651 16.515 572 3HG2 VAL 74 3HG2 VAL 74 2.425 -11.376 17.733 573 H LEU 75 HN LEU 75 -1.245 -15.351 17.053 574 HA LEU 75 HA LEU 75 -3.770 -14.091 17.222 575 1HB LEU 75 HB2 LEU 75 -2.827 -15.936 15.586 576 2HB LEU 75 HB1 LEU 75 -3.545 -17.027 16.756 577 HG LEU 75 HG LEU 75 -5.719 -15.754 16.421 578 1HD1 LEU 75 1HD1 LEU 75 -4.144 -14.645 14.103 579 2HD1 LEU 75 3HD1 LEU 75 -5.901 -14.578 14.237 580 3HD1 LEU 75 2HD1 LEU 75 -4.894 -13.741 15.418 581 1HD2 LEU 75 1HD2 LEU 75 -5.319 -17.967 15.478 582 2HD2 LEU 75 3HD2 LEU 75 -6.262 -16.969 14.371 583 3HD2 LEU 75 2HD2 LEU 75 -4.544 -17.237 14.072 584 H LYS 76 HN LYS 76 -2.187 -16.581 19.073 585 HA LYS 76 HA LYS 76 -4.449 -17.326 20.641 586 1HB LYS 76 HB2 LYS 76 -1.484 -17.724 21.048 587 2HB LYS 76 HB1 LYS 76 -2.700 -18.372 22.139 588 1HG LYS 76 HG2 LYS 76 -2.948 -18.990 19.244 589 2HG LYS 76 HG1 LYS 76 -1.687 -19.804 20.171 590 1HD LYS 76 HD2 LYS 76 -3.368 -21.285 20.542 591 2HD LYS 76 HD1 LYS 76 -3.733 -20.160 21.851 592 1HE LYS 76 HE2 LYS 76 -5.383 -19.043 20.465 593 2HE LYS 76 HE1 LYS 76 -4.977 -20.087 19.104 594 1HZ LYS 76 HZ3 LYS 76 -6.129 -20.999 21.687 595 2HZ LYS 76 HZ2 LYS 76 -6.985 -20.820 20.240 596 3HZ LYS 76 HZ1 LYS 76 -5.766 -21.986 20.362 597 H GLY 77 HN GLY 77 -1.786 -15.030 21.099 598 1HA GLY 77 HA1 GLY 77 -1.469 -13.348 22.627 599 2HA GLY 77 HA2 GLY 77 -2.290 -14.380 23.789 600 H GLU 78 HN GLU 78 -2.862 -12.066 21.161 601 HA GLU 78 HA GLU 78 -5.510 -11.485 22.302 602 1HB GLU 78 HB2 GLU 78 -5.011 -9.027 21.889 603 2HB GLU 78 HB1 GLU 78 -4.187 -9.773 23.250 604 1HG GLU 78 HG2 GLU 78 -2.641 -8.365 22.106 605 2HG GLU 78 HG1 GLU 78 -2.176 -10.041 21.825 606 H GLU 79 HN GLU 79 -4.565 -12.917 19.849 607 HA GLU 79 HA GLU 79 -5.295 -13.198 17.723 608 1HB GLU 79 HB2 GLU 79 -7.467 -12.300 18.706 609 2HB GLU 79 HB1 GLU 79 -7.012 -10.736 18.044 610 1HG GLU 79 HG2 GLU 79 -7.085 -13.132 16.268 611 2HG GLU 79 HG1 GLU 79 -8.584 -12.317 16.711 No H/Q in entry = 611 Start of MODEL 20 1 H1 THR 1 HT3 THR 1 26.846 15.984 26.563 2 H2 THR 1 HT2 THR 1 25.154 15.803 26.789 3 H3 THR 1 HT1 THR 1 26.116 16.506 28.024 4 HA THR 1 HA THR 1 27.224 14.491 28.420 5 HB THR 1 HB THR 1 25.229 13.096 29.091 6 HG1 THR 1 HG1 THR 1 23.538 13.419 27.899 7 1HG2 THR 1 2HG2 THR 1 26.093 15.057 30.446 8 2HG2 THR 1 1HG2 THR 1 24.745 15.973 29.773 9 3HG2 THR 1 3HG2 THR 1 24.436 14.537 30.750 10 H GLN 2 HN GLN 2 27.994 12.570 27.720 11 HA GLN 2 HA GLN 2 27.117 11.665 25.063 12 1HB GLN 2 HB2 GLN 2 29.690 11.104 26.554 13 2HB GLN 2 HB1 GLN 2 29.300 10.512 24.945 14 1HG GLN 2 HG2 GLN 2 30.573 12.318 24.409 15 2HG GLN 2 HG1 GLN 2 28.978 13.068 24.434 16 1HE2 GLN 2 1HE2 GLN 2 28.740 14.830 25.633 17 2HE2 GLN 2 2HE2 GLN 2 29.810 15.349 26.886 18 H GLN 3 HN GLN 3 27.417 9.226 24.719 19 HA GLN 3 HA GLN 3 25.669 7.853 26.454 20 1HB GLN 3 HB2 GLN 3 27.335 7.113 24.101 21 2HB GLN 3 HB1 GLN 3 26.770 5.805 25.132 22 1HG GLN 3 HG2 GLN 3 25.144 5.979 23.481 23 2HG GLN 3 HG1 GLN 3 24.448 6.828 24.859 24 1HE2 GLN 3 1HE2 GLN 3 24.288 9.089 24.802 25 2HE2 GLN 3 2HE2 GLN 3 24.392 9.969 23.318 26 HA PRO 4 HA PRO 4 29.525 5.432 28.103 27 1HB PRO 4 HB2 PRO 4 31.988 6.428 27.504 28 2HB PRO 4 HB1 PRO 4 31.168 5.210 26.520 29 1HG PRO 4 HG2 PRO 4 31.356 8.169 26.104 30 2HG PRO 4 HG1 PRO 4 31.517 6.860 24.919 31 1HD PRO 4 HD2 PRO 4 29.246 8.292 25.181 32 2HD PRO 4 HD1 PRO 4 29.234 6.574 24.735 33 H GLN 5 HN GLN 5 29.751 8.944 27.804 34 HA GLN 5 HA GLN 5 31.139 9.355 30.266 35 1HB GLN 5 HB2 GLN 5 31.263 11.028 28.519 36 2HB GLN 5 HB1 GLN 5 29.518 11.232 28.535 37 1HG GLN 5 HG2 GLN 5 30.498 11.696 31.163 38 2HG GLN 5 HG1 GLN 5 31.472 12.626 30.026 39 1HE2 GLN 5 1HE2 GLN 5 28.403 12.277 31.538 40 2HE2 GLN 5 2HE2 GLN 5 27.664 13.682 30.858 41 H GLN 6 HN GLN 6 27.780 10.184 29.346 42 HA GLN 6 HA GLN 6 26.925 10.541 32.029 43 1HB GLN 6 HB2 GLN 6 25.898 11.206 29.596 44 2HB GLN 6 HB1 GLN 6 24.868 9.849 30.027 45 1HG GLN 6 HG2 GLN 6 24.766 11.205 32.325 46 2HG GLN 6 HG1 GLN 6 25.063 12.543 31.216 47 1HE2 GLN 6 1HE2 GLN 6 22.929 9.797 31.836 48 2HE2 GLN 6 2HE2 GLN 6 21.534 10.483 31.083 49 H ASP 7 HN ASP 7 24.835 9.237 32.749 50 HA ASP 7 HA ASP 7 25.707 6.568 33.232 51 1HB ASP 7 HB2 ASP 7 24.415 7.829 34.899 52 2HB ASP 7 HB1 ASP 7 23.033 7.868 33.810 53 H GLU 8 HN GLU 8 25.567 4.953 31.819 54 HA GLU 8 HA GLU 8 23.890 5.034 29.520 55 1HB GLU 8 HB2 GLU 8 25.719 2.980 30.722 56 2HB GLU 8 HB1 GLU 8 24.651 2.537 29.398 57 1HG GLU 8 HG2 GLU 8 26.227 3.249 28.019 58 2HG GLU 8 HG1 GLU 8 25.849 4.887 28.548 59 H MET 9 HN MET 9 21.740 5.092 29.987 60 HA MET 9 HA MET 9 20.495 3.505 31.984 61 1HB MET 9 HB2 MET 9 19.661 5.694 30.911 62 2HB MET 9 HB1 MET 9 19.062 4.674 29.610 63 1HG MET 9 HG2 MET 9 17.241 4.997 31.042 64 2HG MET 9 HG1 MET 9 17.822 3.370 31.390 65 1HE MET 9 HE2 MET 9 17.625 7.066 32.552 66 2HE MET 9 HE1 MET 9 16.219 6.130 33.057 67 3HE MET 9 HE3 MET 9 17.322 6.786 34.267 68 HA PRO 10 HA PRO 10 20.539 -0.356 29.699 69 1HB PRO 10 HB2 PRO 10 18.650 -1.189 31.819 70 2HB PRO 10 HB1 PRO 10 20.193 -1.903 31.344 71 1HG PRO 10 HG2 PRO 10 19.949 -0.529 33.623 72 2HG PRO 10 HG1 PRO 10 21.424 -0.437 32.644 73 1HD PRO 10 HD2 PRO 10 19.168 1.520 32.864 74 2HD PRO 10 HD1 PRO 10 20.917 1.820 32.773 75 H SER 11 HN SER 11 19.386 -0.411 27.870 76 HA SER 11 HA SER 11 16.596 -0.991 27.901 77 1HB SER 11 HB2 SER 11 15.921 1.030 26.534 78 2HB SER 11 HB1 SER 11 16.278 1.362 28.229 79 HG SER 11 HG SER 11 18.038 2.437 27.669 80 HA PRO 12 HA PRO 12 17.866 -2.846 24.086 81 1HB PRO 12 HB2 PRO 12 15.432 -3.321 22.981 82 2HB PRO 12 HB1 PRO 12 16.073 -4.263 24.330 83 1HG PRO 12 HG2 PRO 12 14.117 -1.998 24.361 84 2HG PRO 12 HG1 PRO 12 14.076 -3.525 25.263 85 1HD PRO 12 HD2 PRO 12 14.892 -1.194 26.374 86 2HD PRO 12 HD1 PRO 12 15.556 -2.768 26.857 87 H THR 13 HN THR 13 18.461 -2.131 22.113 88 HA THR 13 HA THR 13 17.807 0.529 21.316 89 HB THR 13 HB THR 13 19.164 -0.130 19.236 90 HG1 THR 13 HG1 THR 13 20.077 -2.067 19.187 91 1HG2 THR 13 2HG2 THR 13 20.110 1.010 21.265 92 2HG2 THR 13 1HG2 THR 13 20.617 -0.585 21.822 93 3HG2 THR 13 3HG2 THR 13 21.251 0.064 20.309 94 H PHE 14 HN PHE 14 17.753 -2.120 18.975 95 HA PHE 14 HA PHE 14 16.284 -2.732 17.371 96 1HB PHE 14 HB2 PHE 14 14.336 -1.906 19.522 97 2HB PHE 14 HB1 PHE 14 13.826 -2.635 18.002 98 HD1 PHE 14 HD1 PHE 14 13.922 -4.958 17.681 99 HD2 PHE 14 HD2 PHE 14 15.854 -3.204 21.044 100 HE1 PHE 14 HE1 PHE 14 14.297 -7.197 18.629 101 HE2 PHE 14 HE2 PHE 14 16.231 -5.440 21.997 102 HZ PHE 14 HZ PHE 14 15.453 -7.440 20.789 103 H LEU 15 HN LEU 15 14.206 -0.108 18.564 104 HA LEU 15 HA LEU 15 13.718 0.926 15.999 105 1HB LEU 15 HB2 LEU 15 12.387 1.206 18.200 106 2HB LEU 15 HB1 LEU 15 13.454 2.564 18.499 107 HG LEU 15 HG LEU 15 12.674 3.326 16.108 108 1HD1 LEU 15 1HD1 LEU 15 11.428 1.284 15.606 109 2HD1 LEU 15 3HD1 LEU 15 10.377 1.584 16.991 110 3HD1 LEU 15 2HD1 LEU 15 10.373 2.698 15.623 111 1HD2 LEU 15 3HD2 LEU 15 12.292 4.536 18.209 112 2HD2 LEU 15 2HD2 LEU 15 10.896 4.623 17.136 113 3HD2 LEU 15 1HD2 LEU 15 10.876 3.532 18.521 114 H THR 16 HN THR 16 15.945 2.005 18.555 115 HA THR 16 HA THR 16 16.840 4.355 17.341 116 HB THR 16 HB THR 16 18.901 4.054 18.728 117 HG1 THR 16 HG1 THR 16 19.329 2.204 19.628 118 1HG2 THR 16 3HG2 THR 16 16.828 5.028 19.697 119 2HG2 THR 16 2HG2 THR 16 16.419 3.421 20.299 120 3HG2 THR 16 1HG2 THR 16 17.880 4.231 20.867 121 H GLN 17 HN GLN 17 17.870 1.007 16.874 122 HA GLN 17 HA GLN 17 20.171 1.514 15.336 123 1HB GLN 17 HB2 GLN 17 18.301 -0.861 15.199 124 2HB GLN 17 HB1 GLN 17 19.928 -0.802 14.536 125 1HG GLN 17 HG2 GLN 17 19.161 -0.644 17.442 126 2HG GLN 17 HG1 GLN 17 19.933 -2.000 16.622 127 1HE2 GLN 17 1HE2 GLN 17 20.370 1.166 17.970 128 2HE2 GLN 17 2HE2 GLN 17 22.095 1.182 17.902 129 H VAL 18 HN VAL 18 16.846 0.756 14.325 130 HA VAL 18 HA VAL 18 16.798 0.657 11.688 131 HB VAL 18 HB VAL 18 15.004 2.534 13.233 132 1HG1 VAL 18 2HG1 VAL 18 14.771 1.306 10.498 133 2HG1 VAL 18 1HG1 VAL 18 13.374 1.909 11.389 134 3HG1 VAL 18 3HG1 VAL 18 14.679 3.009 10.947 135 1HG2 VAL 18 3HG2 VAL 18 14.989 -0.429 12.812 136 2HG2 VAL 18 2HG2 VAL 18 14.721 0.494 14.291 137 3HG2 VAL 18 1HG2 VAL 18 13.474 0.444 13.046 138 H LYS 19 HN LYS 19 17.084 3.807 13.351 139 HA LYS 19 HA LYS 19 17.135 5.479 11.164 140 1HB LYS 19 HB2 LYS 19 18.591 5.698 13.797 141 2HB LYS 19 HB1 LYS 19 18.567 6.994 12.610 142 1HG LYS 19 HG2 LYS 19 16.733 7.720 13.625 143 2HG LYS 19 HG1 LYS 19 15.900 6.339 12.908 144 1HD LYS 19 HD2 LYS 19 16.410 5.001 14.894 145 2HD LYS 19 HD1 LYS 19 17.248 6.380 15.609 146 1HE LYS 19 HE2 LYS 19 15.330 7.402 16.196 147 2HE LYS 19 HE1 LYS 19 14.505 6.928 14.711 148 1HZ LYS 19 HZ1 LYS 19 14.269 4.681 15.666 149 2HZ LYS 19 HZ3 LYS 19 14.937 5.241 17.117 150 3HZ LYS 19 HZ2 LYS 19 13.465 5.864 16.567 151 H GLU 20 HN GLU 20 19.964 3.972 12.724 152 HA GLU 20 HA GLU 20 21.860 4.970 10.890 153 1HB GLU 20 HB2 GLU 20 21.939 2.550 12.696 154 2HB GLU 20 HB1 GLU 20 23.320 3.122 11.771 155 1HG GLU 20 HG2 GLU 20 23.739 4.100 13.784 156 2HG GLU 20 HG1 GLU 20 22.814 5.380 13.001 157 H SER 21 HN SER 21 19.752 2.205 10.846 158 HA SER 21 HA SER 21 21.009 0.696 8.824 159 1HB SER 21 HB2 SER 21 19.029 0.079 10.421 160 2HB SER 21 HB1 SER 21 18.023 0.737 9.131 161 HG SER 21 HG SER 21 18.543 -0.898 7.866 162 H LEU 22 HN LEU 22 18.658 3.331 8.703 163 HA LEU 22 HA LEU 22 18.184 3.171 5.900 164 1HB LEU 22 HB2 LEU 22 16.740 4.284 7.710 165 2HB LEU 22 HB1 LEU 22 17.840 5.643 7.576 166 HG LEU 22 HG LEU 22 17.258 5.572 5.046 167 1HD1 LEU 22 2HD1 LEU 22 14.906 4.086 6.209 168 2HD1 LEU 22 1HD1 LEU 22 15.013 4.734 4.572 169 3HD1 LEU 22 3HD1 LEU 22 16.092 3.435 5.077 170 1HD2 LEU 22 3HD2 LEU 22 15.248 6.469 7.108 171 2HD2 LEU 22 2HD2 LEU 22 16.641 7.389 6.540 172 3HD2 LEU 22 1HD2 LEU 22 15.319 7.019 5.434 173 H SER 23 HN SER 23 20.414 5.047 7.916 174 HA SER 23 HA SER 23 21.376 6.784 5.946 175 1HB SER 23 HB2 SER 23 21.838 7.001 8.395 176 2HB SER 23 HB1 SER 23 22.959 5.647 8.264 177 HG SER 23 HG SER 23 23.220 8.271 7.383 178 H SER 24 HN SER 24 22.766 3.694 7.058 179 HA SER 24 HA SER 24 24.792 3.579 5.094 180 1HB SER 24 HB2 SER 24 23.482 1.381 6.711 181 2HB SER 24 HB1 SER 24 24.914 1.153 5.707 182 HG SER 24 HG SER 24 26.098 2.255 7.107 183 H TYR 25 HN TYR 25 21.411 3.035 4.893 184 HA TYR 25 HA TYR 25 21.494 1.208 2.671 185 1HB TYR 25 HB2 TYR 25 19.596 1.323 4.308 186 2HB TYR 25 HB1 TYR 25 19.166 2.888 3.627 187 HD1 TYR 25 HD1 TYR 25 18.168 3.051 1.414 188 HD2 TYR 25 HD2 TYR 25 19.204 -0.730 3.068 189 HE1 TYR 25 HE1 TYR 25 16.806 1.934 -0.302 190 HE2 TYR 25 HE2 TYR 25 17.845 -1.856 1.356 191 HH TYR 25 HH TYR 25 17.027 -0.856 -1.299 192 H TRP 26 HN TRP 26 20.956 4.688 3.109 193 HA TRP 26 HA TRP 26 20.347 5.293 0.426 194 1HB TRP 26 HB2 TRP 26 19.828 6.867 2.187 195 2HB TRP 26 HB1 TRP 26 21.530 7.014 2.613 196 HD1 TRP 26 HD1 TRP 26 22.342 9.325 1.897 197 HE1 TRP 26 HE1 TRP 26 22.051 10.833 -0.167 198 HE3 TRP 26 HE3 TRP 26 19.098 6.421 -0.786 199 HZ2 TRP 26 HZ2 TRP 26 20.638 10.797 -2.610 200 HZ3 TRP 26 HZ3 TRP 26 18.327 7.230 -2.977 201 HH2 TRP 26 HH2 TRP 26 19.081 9.374 -3.868 202 H GLU 27 HN GLU 27 23.397 5.079 2.164 203 HA GLU 27 HA GLU 27 25.232 6.250 0.563 204 1HB GLU 27 HB2 GLU 27 25.253 3.907 2.340 205 2HB GLU 27 HB1 GLU 27 26.529 3.903 1.130 206 1HG GLU 27 HG2 GLU 27 27.460 4.942 3.005 207 2HG GLU 27 HG1 GLU 27 27.073 6.255 1.895 208 H SER 28 HN SER 28 24.228 2.855 0.162 209 HA SER 28 HA SER 28 25.301 2.829 -2.543 210 1HB SER 28 HB2 SER 28 24.119 0.669 -0.790 211 2HB SER 28 HB1 SER 28 24.618 0.394 -2.460 212 HG SER 28 HG SER 28 26.675 0.581 -1.898 213 H ALA 29 HN ALA 29 22.332 3.544 -1.061 214 HA ALA 29 HA ALA 29 20.479 2.410 -2.847 215 1HB ALA 29 HB1 ALA 29 19.738 3.363 -0.769 216 2HB ALA 29 HB2 ALA 29 18.945 4.205 -2.099 217 3HB ALA 29 HB3 ALA 29 20.296 4.961 -1.258 218 H LYS 30 HN LYS 30 22.405 5.361 -3.076 219 HA LYS 30 HA LYS 30 21.113 6.649 -5.156 220 1HB LYS 30 HB2 LYS 30 23.865 6.638 -4.089 221 2HB LYS 30 HB1 LYS 30 23.705 7.211 -5.743 222 1HG LYS 30 HG2 LYS 30 22.107 8.892 -5.035 223 2HG LYS 30 HG1 LYS 30 22.187 8.291 -3.377 224 1HD LYS 30 HD2 LYS 30 24.824 8.873 -4.414 225 2HD LYS 30 HD1 LYS 30 23.768 10.281 -4.524 226 1HE LYS 30 HE2 LYS 30 23.429 8.964 -1.987 227 2HE LYS 30 HE1 LYS 30 25.130 9.333 -2.265 228 1HZ LYS 30 HZ1 LYS 30 24.488 11.638 -2.728 229 2HZ LYS 30 HZ3 LYS 30 22.876 11.265 -2.375 230 3HZ LYS 30 HZ2 LYS 30 24.053 11.165 -1.165 231 H THR 31 HN THR 31 23.677 4.194 -5.413 232 HA THR 31 HA THR 31 23.969 4.056 -8.148 233 HB THR 31 HB THR 31 23.869 1.591 -6.403 234 HG1 THR 31 HG1 THR 31 25.326 2.544 -5.239 235 1HG2 THR 31 2HG2 THR 31 25.588 2.319 -8.762 236 2HG2 THR 31 1HG2 THR 31 25.757 0.861 -7.785 237 3HG2 THR 31 3HG2 THR 31 24.291 1.123 -8.730 238 H ALA 32 HN ALA 32 21.469 2.678 -6.092 239 HA ALA 32 HA ALA 32 20.148 1.141 -8.055 240 1HB ALA 32 HB3 ALA 32 18.612 2.433 -5.847 241 2HB ALA 32 HB2 ALA 32 18.493 0.798 -6.495 242 3HB ALA 32 HB1 ALA 32 19.847 1.237 -5.453 243 H ALA 33 HN ALA 33 19.733 4.514 -6.990 244 HA ALA 33 HA ALA 33 17.485 5.227 -8.415 245 1HB ALA 33 HB1 ALA 33 18.852 6.650 -6.805 246 2HB ALA 33 HB3 ALA 33 19.858 7.055 -8.195 247 3HB ALA 33 HB2 ALA 33 18.146 7.474 -8.194 248 H GLN 34 HN GLN 34 20.843 5.479 -9.585 249 HA GLN 34 HA GLN 34 20.117 6.219 -12.215 250 1HB GLN 34 HB2 GLN 34 22.415 6.417 -11.060 251 2HB GLN 34 HB1 GLN 34 22.645 4.735 -11.515 252 1HG GLN 34 HG2 GLN 34 22.533 5.255 -13.826 253 2HG GLN 34 HG1 GLN 34 21.987 6.897 -13.494 254 1HE2 GLN 34 1HE2 GLN 34 23.477 8.420 -12.698 255 2HE2 GLN 34 2HE2 GLN 34 25.180 8.186 -12.865 256 H ASN 35 HN ASN 35 20.652 3.131 -10.615 257 HA ASN 35 HA ASN 35 20.598 1.488 -12.906 258 1HB ASN 35 HB2 ASN 35 21.201 0.922 -10.417 259 2HB ASN 35 HB1 ASN 35 19.486 0.543 -10.287 260 1HD2 ASN 35 1HD2 ASN 35 18.626 -1.116 -11.656 261 2HD2 ASN 35 2HD2 ASN 35 19.653 -2.373 -12.244 262 H LEU 36 HN LEU 36 18.084 3.050 -11.120 263 HA LEU 36 HA LEU 36 15.852 1.541 -11.862 264 1HB LEU 36 HB2 LEU 36 16.010 3.550 -10.238 265 2HB LEU 36 HB1 LEU 36 15.822 4.549 -11.668 266 HG LEU 36 HG LEU 36 13.807 2.408 -11.162 267 1HD1 LEU 36 1HD1 LEU 36 14.069 3.526 -8.996 268 2HD1 LEU 36 3HD1 LEU 36 13.800 5.084 -9.776 269 3HD1 LEU 36 2HD1 LEU 36 12.510 3.883 -9.739 270 1HD2 LEU 36 3HD2 LEU 36 13.789 5.148 -12.410 271 2HD2 LEU 36 2HD2 LEU 36 13.590 3.591 -13.214 272 3HD2 LEU 36 1HD2 LEU 36 12.331 4.194 -12.134 273 H TYR 37 HN TYR 37 17.497 4.259 -13.373 274 HA TYR 37 HA TYR 37 15.896 4.391 -15.710 275 1HB TYR 37 HB2 TYR 37 18.619 5.398 -14.953 276 2HB TYR 37 HB1 TYR 37 18.124 5.448 -16.641 277 HD1 TYR 37 HD1 TYR 37 16.329 6.926 -17.368 278 HD2 TYR 37 HD2 TYR 37 17.568 6.826 -13.299 279 HE1 TYR 37 HE1 TYR 37 15.127 9.031 -16.956 280 HE2 TYR 37 HE2 TYR 37 16.369 8.932 -12.876 281 HH TYR 37 HH TYR 37 15.578 11.030 -14.852 282 H GLU 38 HN GLU 38 18.811 2.632 -14.811 283 HA GLU 38 HA GLU 38 19.511 1.579 -17.296 284 1HB GLU 38 HB2 GLU 38 20.974 1.465 -15.335 285 2HB GLU 38 HB1 GLU 38 19.876 0.324 -14.573 286 1HG GLU 38 HG2 GLU 38 20.818 -0.477 -17.230 287 2HG GLU 38 HG1 GLU 38 22.076 -0.353 -16.002 288 H LYS 39 HN LYS 39 17.712 -0.121 -14.740 289 HA LYS 39 HA LYS 39 17.032 -2.338 -16.311 290 1HB LYS 39 HB2 LYS 39 15.413 -2.874 -14.550 291 2HB LYS 39 HB1 LYS 39 16.974 -2.414 -13.887 292 1HG LYS 39 HG2 LYS 39 15.847 -0.038 -13.765 293 2HG LYS 39 HG1 LYS 39 14.366 -0.996 -13.765 294 1HD LYS 39 HD2 LYS 39 16.136 -2.235 -11.952 295 2HD LYS 39 HD1 LYS 39 16.205 -0.503 -11.622 296 1HE LYS 39 HE2 LYS 39 13.584 -1.928 -11.948 297 2HE LYS 39 HE1 LYS 39 14.433 -1.917 -10.403 298 1HZ LYS 39 HZ2 LYS 39 13.566 0.490 -11.913 299 2HZ LYS 39 HZ1 LYS 39 12.812 -0.135 -10.535 300 3HZ LYS 39 HZ3 LYS 39 14.377 0.498 -10.428 301 H THR 40 HN THR 40 15.866 0.816 -16.637 302 HA THR 40 HA THR 40 13.142 0.278 -17.244 303 HB THR 40 HB THR 40 14.927 2.549 -18.140 304 HG1 THR 40 HG1 THR 40 14.651 2.661 -15.964 305 1HG2 THR 40 1HG2 THR 40 11.946 2.252 -18.342 306 2HG2 THR 40 3HG2 THR 40 12.792 3.795 -18.451 307 3HG2 THR 40 2HG2 THR 40 13.096 2.535 -19.648 308 H TYR 41 HN TYR 41 15.906 0.917 -19.372 309 HA TYR 41 HA TYR 41 14.580 0.201 -21.767 310 1HB TYR 41 HB2 TYR 41 16.826 1.531 -21.318 311 2HB TYR 41 HB1 TYR 41 17.548 -0.060 -21.539 312 HD1 TYR 41 HD1 TYR 41 17.456 -1.176 -23.711 313 HD2 TYR 41 HD2 TYR 41 15.794 2.703 -23.169 314 HE1 TYR 41 HE1 TYR 41 17.364 -0.881 -26.150 315 HE2 TYR 41 HE2 TYR 41 15.697 3.008 -25.605 316 HH TYR 41 HH TYR 41 17.283 1.657 -27.697 317 H LEU 42 HN LEU 42 16.629 -1.635 -19.533 318 HA LEU 42 HA LEU 42 16.854 -3.957 -21.138 319 1HB LEU 42 HB2 LEU 42 17.394 -3.259 -18.302 320 2HB LEU 42 HB1 LEU 42 17.237 -4.962 -18.693 321 HG LEU 42 HG LEU 42 18.987 -4.452 -20.548 322 1HD1 LEU 42 3HD1 LEU 42 19.370 -2.112 -18.690 323 2HD1 LEU 42 2HD1 LEU 42 20.561 -2.657 -19.871 324 3HD1 LEU 42 1HD1 LEU 42 18.993 -2.057 -20.411 325 1HD2 LEU 42 2HD2 LEU 42 19.513 -4.670 -17.603 326 2HD2 LEU 42 1HD2 LEU 42 19.592 -5.927 -18.838 327 3HD2 LEU 42 3HD2 LEU 42 20.826 -4.667 -18.780 328 HA PRO 43 HA PRO 43 12.911 -5.834 -20.267 329 1HB PRO 43 HB2 PRO 43 13.244 -8.095 -21.624 330 2HB PRO 43 HB1 PRO 43 13.237 -6.537 -22.459 331 1HG PRO 43 HG2 PRO 43 15.538 -8.292 -21.739 332 2HG PRO 43 HG1 PRO 43 15.293 -7.300 -23.185 333 1HD PRO 43 HD2 PRO 43 16.815 -6.602 -20.925 334 2HD PRO 43 HD1 PRO 43 16.292 -5.507 -22.219 335 H ALA 44 HN ALA 44 15.242 -6.269 -18.292 336 HA ALA 44 HA ALA 44 15.232 -8.961 -17.448 337 1HB ALA 44 HB2 ALA 44 15.869 -6.482 -15.855 338 2HB ALA 44 HB1 ALA 44 16.290 -8.136 -15.413 339 3HB ALA 44 HB3 ALA 44 17.004 -7.397 -16.845 340 H VAL 45 HN VAL 45 12.870 -6.517 -17.093 341 HA VAL 45 HA VAL 45 11.691 -6.805 -14.680 342 HB VAL 45 HB VAL 45 10.227 -6.677 -17.322 343 1HG1 VAL 45 2HG1 VAL 45 9.308 -6.236 -14.495 344 2HG1 VAL 45 1HG1 VAL 45 8.469 -5.533 -15.878 345 3HG1 VAL 45 3HG1 VAL 45 8.610 -7.285 -15.730 346 1HG2 VAL 45 1HG2 VAL 45 11.381 -4.573 -15.514 347 2HG2 VAL 45 3HG2 VAL 45 11.655 -4.814 -17.239 348 3HG2 VAL 45 2HG2 VAL 45 10.099 -4.213 -16.669 349 H ASP 46 HN ASP 46 10.881 -8.879 -17.479 350 HA ASP 46 HA ASP 46 9.286 -10.650 -15.910 351 1HB ASP 46 HB2 ASP 46 10.399 -10.881 -18.708 352 2HB ASP 46 HB1 ASP 46 9.326 -12.076 -17.986 353 H GLU 47 HN GLU 47 12.662 -10.627 -16.902 354 HA GLU 47 HA GLU 47 13.204 -13.359 -16.322 355 1HB GLU 47 HB2 GLU 47 15.021 -10.947 -16.444 356 2HB GLU 47 HB1 GLU 47 15.601 -12.594 -16.235 357 1HG GLU 47 HG2 GLU 47 15.043 -13.207 -18.385 358 2HG GLU 47 HG1 GLU 47 13.842 -11.928 -18.551 359 H LYS 48 HN LYS 48 13.665 -10.381 -14.424 360 HA LYS 48 HA LYS 48 14.748 -11.607 -12.136 361 1HB LYS 48 HB2 LYS 48 13.487 -8.972 -12.730 362 2HB LYS 48 HB1 LYS 48 13.669 -9.435 -11.044 363 1HG LYS 48 HG2 LYS 48 15.915 -9.339 -13.047 364 2HG LYS 48 HG1 LYS 48 15.532 -8.060 -11.895 365 1HD LYS 48 HD2 LYS 48 16.112 -10.884 -11.033 366 2HD LYS 48 HD1 LYS 48 17.385 -9.682 -11.245 367 1HE LYS 48 HE2 LYS 48 16.463 -8.290 -9.549 368 2HE LYS 48 HE1 LYS 48 14.989 -9.254 -9.472 369 1HZ LYS 48 HZ2 LYS 48 16.308 -11.108 -8.626 370 2HZ LYS 48 HZ1 LYS 48 17.704 -10.155 -8.670 371 3HZ LYS 48 HZ3 LYS 48 16.438 -9.754 -7.621 372 H LEU 49 HN LEU 49 11.468 -11.321 -13.266 373 HA LEU 49 HA LEU 49 10.114 -11.698 -10.820 374 1HB LEU 49 HB2 LEU 49 9.414 -12.103 -13.700 375 2HB LEU 49 HB1 LEU 49 8.351 -12.762 -12.472 376 HG LEU 49 HG LEU 49 9.146 -9.870 -12.403 377 1HD1 LEU 49 3HD1 LEU 49 7.219 -11.206 -14.235 378 2HD1 LEU 49 2HD1 LEU 49 6.792 -9.637 -13.552 379 3HD1 LEU 49 1HD1 LEU 49 8.261 -9.809 -14.510 380 1HD2 LEU 49 3HD2 LEU 49 8.064 -10.814 -10.433 381 2HD2 LEU 49 2HD2 LEU 49 7.010 -9.650 -11.235 382 3HD2 LEU 49 1HD2 LEU 49 6.723 -11.379 -11.429 383 H ARG 50 HN ARG 50 10.729 -14.056 -13.431 384 HA ARG 50 HA ARG 50 10.108 -16.331 -11.873 385 1HB ARG 50 HB2 ARG 50 11.761 -16.005 -14.384 386 2HB ARG 50 HB1 ARG 50 11.395 -17.569 -13.669 387 1HG ARG 50 HG2 ARG 50 9.086 -17.337 -14.100 388 2HG ARG 50 HG1 ARG 50 9.257 -15.622 -14.483 389 1HD ARG 50 HD2 ARG 50 9.074 -16.612 -16.576 390 2HD ARG 50 HD1 ARG 50 10.815 -16.429 -16.373 391 HE ARG 50 HE ARG 50 10.110 -18.954 -15.425 392 1HH1 ARG 50 1HH1 ARG 50 10.158 -17.221 -18.466 393 2HH1 ARG 50 2HH1 ARG 50 10.389 -18.650 -19.417 394 1HH2 ARG 50 1HH2 ARG 50 10.413 -20.833 -16.682 395 2HH2 ARG 50 2HH2 ARG 50 10.533 -20.700 -18.405 396 H ASP 51 HN ASP 51 13.026 -14.451 -12.353 397 HA ASP 51 HA ASP 51 14.960 -16.208 -11.386 398 1HB ASP 51 HB2 ASP 51 15.728 -14.210 -12.392 399 2HB ASP 51 HB1 ASP 51 14.745 -13.204 -11.335 400 H LEU 52 HN LEU 52 13.184 -13.704 -9.567 401 HA LEU 52 HA LEU 52 14.164 -14.537 -7.032 402 1HB LEU 52 HB2 LEU 52 11.806 -12.817 -7.792 403 2HB LEU 52 HB1 LEU 52 12.347 -13.060 -6.142 404 HG LEU 52 HG LEU 52 14.202 -11.962 -8.236 405 1HD1 LEU 52 1HD1 LEU 52 12.190 -10.556 -8.210 406 2HD1 LEU 52 3HD1 LEU 52 12.361 -10.360 -6.466 407 3HD1 LEU 52 2HD1 LEU 52 13.594 -9.719 -7.551 408 1HD2 LEU 52 2HD2 LEU 52 14.115 -12.005 -5.236 409 2HD2 LEU 52 1HD2 LEU 52 15.373 -12.610 -6.313 410 3HD2 LEU 52 3HD2 LEU 52 15.133 -10.872 -6.124 411 H TYR 53 HN TYR 53 11.571 -15.642 -9.042 412 HA TYR 53 HA TYR 53 9.914 -16.757 -7.027 413 1HB TYR 53 HB2 TYR 53 9.443 -16.328 -9.570 414 2HB TYR 53 HB1 TYR 53 10.113 -17.942 -9.778 415 HD1 TYR 53 HD1 TYR 53 7.252 -16.002 -8.700 416 HD2 TYR 53 HD2 TYR 53 8.985 -19.889 -8.704 417 HE1 TYR 53 HE1 TYR 53 5.064 -16.972 -8.139 418 HE2 TYR 53 HE2 TYR 53 6.800 -20.869 -8.144 419 HH TYR 53 HH TYR 53 4.472 -19.555 -6.839 420 H SER 54 HN SER 54 12.508 -18.110 -9.052 421 HA SER 54 HA SER 54 12.388 -20.747 -8.084 422 1HB SER 54 HB2 SER 54 14.785 -19.227 -9.147 423 2HB SER 54 HB1 SER 54 14.678 -20.979 -8.974 424 HG SER 54 HG SER 54 13.326 -21.083 -10.641 425 H LYS 55 HN LYS 55 14.314 -17.953 -7.033 426 HA LYS 55 HA LYS 55 15.769 -19.244 -5.004 427 1HB LYS 55 HB2 LYS 55 14.927 -16.345 -5.206 428 2HB LYS 55 HB1 LYS 55 16.145 -16.967 -4.102 429 1HG LYS 55 HG2 LYS 55 17.697 -17.259 -5.753 430 2HG LYS 55 HG1 LYS 55 16.479 -17.489 -7.010 431 1HD LYS 55 HD2 LYS 55 16.040 -15.174 -7.148 432 2HD LYS 55 HD1 LYS 55 16.893 -14.844 -5.639 433 1HE LYS 55 HE2 LYS 55 18.970 -15.740 -6.844 434 2HE LYS 55 HE1 LYS 55 18.030 -15.558 -8.325 435 1HZ LYS 55 HZ1 LYS 55 17.727 -13.203 -7.762 436 2HZ LYS 55 HZ3 LYS 55 18.709 -13.401 -6.398 437 3HZ LYS 55 HZ2 LYS 55 19.359 -13.605 -7.947 438 H SER 56 HN SER 56 12.746 -17.362 -4.844 439 HA SER 56 HA SER 56 12.345 -17.611 -2.077 440 1HB SER 56 HB2 SER 56 10.047 -16.899 -2.512 441 2HB SER 56 HB1 SER 56 11.184 -15.949 -3.467 442 HG SER 56 HG SER 56 9.292 -17.818 -4.284 443 H THR 57 HN THR 57 11.912 -20.003 -4.547 444 HA THR 57 HA THR 57 9.812 -21.503 -3.485 445 HB THR 57 HB THR 57 12.262 -22.477 -4.974 446 HG1 THR 57 HG1 THR 57 11.256 -21.199 -6.371 447 1HG2 THR 57 3HG2 THR 57 9.623 -23.824 -4.476 448 2HG2 THR 57 2HG2 THR 57 10.758 -24.315 -5.733 449 3HG2 THR 57 1HG2 THR 57 11.231 -24.399 -4.035 450 H ALA 58 HN ALA 58 13.322 -21.878 -2.933 451 HA ALA 58 HA ALA 58 12.825 -23.736 -0.751 452 1HB ALA 58 HB2 ALA 58 14.651 -24.199 -2.298 453 2HB ALA 58 HB1 ALA 58 15.424 -22.677 -1.857 454 3HB ALA 58 HB3 ALA 58 15.257 -23.961 -0.659 455 H ALA 59 HN ALA 59 14.180 -20.482 -1.208 456 HA ALA 59 HA ALA 59 14.953 -20.027 1.455 457 1HB ALA 59 HB2 ALA 59 14.989 -17.650 0.850 458 2HB ALA 59 HB3 ALA 59 14.140 -18.026 -0.650 459 3HB ALA 59 HB1 ALA 59 15.765 -18.654 -0.375 460 H MET 60 HN MET 60 12.074 -18.703 -0.213 461 HA MET 60 HA MET 60 10.861 -17.701 2.110 462 1HB MET 60 HB2 MET 60 10.363 -17.352 -0.477 463 2HB MET 60 HB1 MET 60 9.141 -18.574 -0.156 464 1HG MET 60 HG2 MET 60 8.377 -17.098 1.757 465 2HG MET 60 HG1 MET 60 9.407 -15.848 1.064 466 1HE MET 60 HE1 MET 60 6.855 -18.536 0.108 467 2HE MET 60 HE3 MET 60 5.787 -17.388 0.914 468 3HE MET 60 HE2 MET 60 5.638 -17.663 -0.821 469 H SER 61 HN SER 61 11.073 -20.953 0.993 470 HA SER 61 HA SER 61 8.664 -21.969 2.080 471 1HB SER 61 HB2 SER 61 11.053 -23.044 0.837 472 2HB SER 61 HB1 SER 61 10.532 -24.050 2.188 473 HG SER 61 HG SER 61 9.297 -23.550 -0.241 474 H THR 62 HN THR 62 11.565 -20.918 3.587 475 HA THR 62 HA THR 62 11.024 -22.445 6.024 476 HB THR 62 HB THR 62 13.188 -21.564 6.823 477 HG1 THR 62 HG1 THR 62 13.730 -19.746 5.914 478 1HG2 THR 62 3HG2 THR 62 13.166 -23.642 5.482 479 2HG2 THR 62 2HG2 THR 62 13.499 -22.672 4.047 480 3HG2 THR 62 1HG2 THR 62 14.672 -22.732 5.362 481 H TYR 63 HN TYR 63 11.512 -19.082 4.965 482 HA TYR 63 HA TYR 63 10.803 -17.881 7.402 483 1HB TYR 63 HB2 TYR 63 10.765 -16.786 4.583 484 2HB TYR 63 HB1 TYR 63 10.541 -15.811 6.031 485 HD1 TYR 63 HD1 TYR 63 12.442 -15.738 7.727 486 HD2 TYR 63 HD2 TYR 63 12.919 -17.272 3.787 487 HE1 TYR 63 HE1 TYR 63 14.876 -15.458 7.919 488 HE2 TYR 63 HE2 TYR 63 15.355 -16.997 3.969 489 HH TYR 63 HH TYR 63 16.871 -15.166 5.786 490 H THR 64 HN THR 64 8.903 -19.379 4.947 491 HA THR 64 HA THR 64 6.526 -17.868 5.361 492 HB THR 64 HB THR 64 7.148 -20.488 4.049 493 HG1 THR 64 HG1 THR 64 7.256 -18.987 2.565 494 1HG2 THR 64 1HG2 THR 64 4.387 -19.541 4.746 495 2HG2 THR 64 3HG2 THR 64 4.716 -20.605 3.379 496 3HG2 THR 64 2HG2 THR 64 5.106 -21.128 5.017 497 H GLY 65 HN GLY 65 7.473 -21.119 6.451 498 1HA GLY 65 HA1 GLY 65 6.794 -22.341 8.283 499 2HA GLY 65 HA2 GLY 65 5.321 -21.376 8.290 500 H ILE 66 HN ILE 66 8.619 -20.162 8.523 501 HA ILE 66 HA ILE 66 8.733 -19.880 11.335 502 HB ILE 66 HB ILE 66 10.237 -18.484 9.122 503 1HG1 ILE 66 2HG1 ILE 66 11.321 -20.378 11.197 504 2HG1 ILE 66 1HG1 ILE 66 10.561 -20.977 9.727 505 1HG2 ILE 66 2HG2 ILE 66 10.442 -18.105 12.095 506 2HG2 ILE 66 1HG2 ILE 66 11.801 -17.786 11.018 507 3HG2 ILE 66 3HG2 ILE 66 10.300 -16.881 10.833 508 1HD1 ILE 66 3HD1 ILE 66 12.271 -19.315 8.594 509 2HD1 ILE 66 2HD1 ILE 66 13.152 -19.590 10.098 510 3HD1 ILE 66 1HD1 ILE 66 12.729 -20.953 9.060 511 H PHE 67 HN PHE 67 8.182 -17.420 8.805 512 HA PHE 67 HA PHE 67 7.599 -15.255 10.419 513 1HB PHE 67 HB2 PHE 67 7.850 -15.079 7.983 514 2HB PHE 67 HB1 PHE 67 6.318 -15.917 7.758 515 HD1 PHE 67 HD1 PHE 67 4.288 -14.747 7.791 516 HD2 PHE 67 HD2 PHE 67 7.848 -12.837 9.130 517 HE1 PHE 67 HE1 PHE 67 3.098 -12.595 7.872 518 HE2 PHE 67 HE2 PHE 67 6.665 -10.682 9.214 519 HZ PHE 67 HZ PHE 67 4.287 -10.560 8.584 520 H THR 68 HN THR 68 5.214 -17.504 9.006 521 HA THR 68 HA THR 68 3.009 -16.431 10.387 522 HB THR 68 HB THR 68 2.960 -17.890 8.311 523 HG1 THR 68 HG1 THR 68 1.238 -18.648 10.433 524 1HG2 THR 68 1HG2 THR 68 4.348 -19.740 9.287 525 2HG2 THR 68 3HG2 THR 68 2.941 -20.178 10.255 526 3HG2 THR 68 2HG2 THR 68 2.854 -20.239 8.494 527 H ASP 69 HN ASP 69 5.498 -18.571 11.398 528 HA ASP 69 HA ASP 69 4.199 -20.036 13.399 529 1HB ASP 69 HB2 ASP 69 6.832 -19.760 12.529 530 2HB ASP 69 HB1 ASP 69 6.879 -19.227 14.206 531 H GLN 70 HN GLN 70 6.056 -17.005 13.782 532 HA GLN 70 HA GLN 70 5.203 -16.592 16.465 533 1HB GLN 70 HB2 GLN 70 6.276 -14.415 16.289 534 2HB GLN 70 HB1 GLN 70 7.306 -15.658 15.597 535 1HG GLN 70 HG2 GLN 70 5.589 -14.483 13.592 536 2HG GLN 70 HG1 GLN 70 6.543 -13.259 14.426 537 1HE2 GLN 70 1HE2 GLN 70 7.467 -13.030 12.239 538 2HE2 GLN 70 2HE2 GLN 70 8.791 -14.050 11.802 539 H VAL 71 HN VAL 71 3.811 -15.821 13.394 540 HA VAL 71 HA VAL 71 2.134 -13.676 14.212 541 HB VAL 71 HB VAL 71 1.838 -15.622 11.909 542 1HG1 VAL 71 3HG1 VAL 71 0.250 -13.177 12.639 543 2HG1 VAL 71 2HG1 VAL 71 0.313 -13.807 10.993 544 3HG1 VAL 71 1HG1 VAL 71 -0.336 -14.804 12.295 545 1HG2 VAL 71 1HG2 VAL 71 3.769 -13.797 12.171 546 2HG2 VAL 71 3HG2 VAL 71 3.038 -14.193 10.615 547 3HG2 VAL 71 2HG2 VAL 71 2.505 -12.765 11.503 548 H LEU 72 HN LEU 72 1.546 -17.129 13.655 549 HA LEU 72 HA LEU 72 -1.079 -17.246 14.620 550 1HB LEU 72 HB2 LEU 72 1.076 -19.165 14.041 551 2HB LEU 72 HB1 LEU 72 -0.037 -19.696 15.286 552 HG LEU 72 HG LEU 72 -1.910 -19.519 13.770 553 1HD1 LEU 72 2HD1 LEU 72 0.074 -18.123 12.055 554 2HD1 LEU 72 1HD1 LEU 72 -1.181 -19.084 11.271 555 3HD1 LEU 72 3HD1 LEU 72 -1.626 -17.759 12.347 556 1HD2 LEU 72 1HD2 LEU 72 -0.606 -21.590 13.744 557 2HD2 LEU 72 3HD2 LEU 72 -1.305 -21.244 12.162 558 3HD2 LEU 72 2HD2 LEU 72 0.406 -20.935 12.457 559 H SER 73 HN SER 73 2.055 -17.339 16.211 560 HA SER 73 HA SER 73 1.227 -18.137 18.767 561 1HB SER 73 HB2 SER 73 3.631 -17.764 17.826 562 2HB SER 73 HB1 SER 73 3.414 -16.110 18.396 563 HG SER 73 HG SER 73 3.538 -18.501 19.868 564 H VAL 74 HN VAL 74 1.231 -14.976 17.227 565 HA VAL 74 HA VAL 74 0.448 -13.542 19.573 566 HB VAL 74 HB VAL 74 0.001 -12.671 16.712 567 1HG1 VAL 74 2HG1 VAL 74 0.217 -11.195 19.327 568 2HG1 VAL 74 1HG1 VAL 74 0.317 -10.400 17.756 569 3HG1 VAL 74 3HG1 VAL 74 -1.155 -11.253 18.220 570 1HG2 VAL 74 3HG2 VAL 74 2.487 -13.066 18.162 571 2HG2 VAL 74 2HG2 VAL 74 2.218 -12.718 16.455 572 3HG2 VAL 74 1HG2 VAL 74 2.286 -11.400 17.622 573 H LEU 75 HN LEU 75 -1.217 -15.560 17.350 574 HA LEU 75 HA LEU 75 -3.800 -14.412 17.468 575 1HB LEU 75 HB2 LEU 75 -2.687 -16.475 16.082 576 2HB LEU 75 HB1 LEU 75 -3.647 -17.348 17.261 577 HG LEU 75 HG LEU 75 -4.888 -17.055 15.194 578 1HD1 LEU 75 2HD1 LEU 75 -6.020 -16.953 17.453 579 2HD1 LEU 75 1HD1 LEU 75 -6.096 -15.205 17.231 580 3HD1 LEU 75 3HD1 LEU 75 -6.918 -16.277 16.096 581 1HD2 LEU 75 1HD2 LEU 75 -3.664 -14.889 14.617 582 2HD2 LEU 75 3HD2 LEU 75 -5.378 -14.987 14.211 583 3HD2 LEU 75 2HD2 LEU 75 -4.860 -14.087 15.635 584 H LYS 76 HN LYS 76 -2.041 -16.610 19.514 585 HA LYS 76 HA LYS 76 -4.236 -17.364 21.174 586 1HB LYS 76 HB2 LYS 76 -1.253 -17.466 21.664 587 2HB LYS 76 HB1 LYS 76 -2.458 -18.177 22.729 588 1HG LYS 76 HG2 LYS 76 -2.195 -20.042 21.552 589 2HG LYS 76 HG1 LYS 76 -3.101 -19.235 20.271 590 1HD LYS 76 HD2 LYS 76 -1.227 -19.848 19.108 591 2HD LYS 76 HD1 LYS 76 -0.724 -18.256 19.675 592 1HE LYS 76 HE2 LYS 76 -0.149 -20.710 21.295 593 2HE LYS 76 HE1 LYS 76 0.889 -20.265 19.942 594 1HZ LYS 76 HZ2 LYS 76 1.031 -18.007 21.065 595 2HZ LYS 76 HZ1 LYS 76 0.380 -18.755 22.435 596 3HZ LYS 76 HZ3 LYS 76 1.860 -19.281 21.805 597 H GLY 77 HN GLY 77 -1.611 -14.976 21.494 598 1HA GLY 77 HA1 GLY 77 -1.348 -13.192 22.926 599 2HA GLY 77 HA2 GLY 77 -2.431 -14.013 24.043 600 H GLU 78 HN GLU 78 -2.585 -12.337 20.896 601 HA GLU 78 HA GLU 78 -5.160 -11.176 21.717 602 1HB GLU 78 HB2 GLU 78 -2.777 -9.724 20.566 603 2HB GLU 78 HB1 GLU 78 -4.401 -9.053 20.532 604 1HG GLU 78 HG2 GLU 78 -3.689 -8.090 22.442 605 2HG GLU 78 HG1 GLU 78 -4.261 -9.609 23.128 606 H GLU 79 HN GLU 79 -3.059 -10.879 18.846 607 HA GLU 79 HA GLU 79 -4.739 -12.512 17.211 608 1HB GLU 79 HB2 GLU 79 -6.017 -10.309 17.456 609 2HB GLU 79 HB1 GLU 79 -4.735 -9.581 16.500 610 1HG GLU 79 HG2 GLU 79 -6.373 -11.925 15.570 611 2HG GLU 79 HG1 GLU 79 -6.788 -10.246 15.232 No H/Q in entry = 611 Start of MODEL 21 1 H1 THR 1 HT1 THR 1 30.812 -5.672 19.633 2 H2 THR 1 HT3 THR 1 32.350 -6.368 19.932 3 H3 THR 1 HT2 THR 1 32.170 -5.175 18.711 4 HA THR 1 HA THR 1 30.787 -6.617 17.447 5 HB THR 1 HB THR 1 33.271 -8.123 18.270 6 HG1 THR 1 HG1 THR 1 34.268 -6.305 17.944 7 1HG2 THR 1 1HG2 THR 1 31.716 -8.929 16.390 8 2HG2 THR 1 3HG2 THR 1 32.368 -7.569 15.476 9 3HG2 THR 1 2HG2 THR 1 33.449 -8.828 16.074 10 H GLN 2 HN GLN 2 29.560 -8.454 17.244 11 HA GLN 2 HA GLN 2 29.401 -10.196 19.616 12 1HB GLN 2 HB2 GLN 2 27.397 -8.546 18.564 13 2HB GLN 2 HB1 GLN 2 26.963 -10.173 18.056 14 1HG GLN 2 HG2 GLN 2 25.899 -9.678 20.146 15 2HG GLN 2 HG1 GLN 2 27.126 -10.918 20.398 16 1HE2 GLN 2 1HE2 GLN 2 26.207 -7.622 21.001 17 2HE2 GLN 2 2HE2 GLN 2 27.406 -7.295 22.202 18 H GLN 3 HN GLN 3 29.089 -12.384 19.311 19 HA GLN 3 HA GLN 3 29.116 -13.413 16.564 20 1HB GLN 3 HB2 GLN 3 30.985 -14.380 18.739 21 2HB GLN 3 HB1 GLN 3 30.900 -14.988 17.095 22 1HG GLN 3 HG2 GLN 3 32.622 -13.608 16.748 23 2HG GLN 3 HG1 GLN 3 31.372 -12.373 16.624 24 1HE2 GLN 3 1HE2 GLN 3 31.937 -10.601 17.664 25 2HE2 GLN 3 2HE2 GLN 3 32.771 -10.527 19.174 26 HA PRO 4 HA PRO 4 26.219 -16.492 17.828 27 1HB PRO 4 HB2 PRO 4 27.441 -18.850 17.025 28 2HB PRO 4 HB1 PRO 4 26.489 -17.790 15.982 29 1HG PRO 4 HG2 PRO 4 29.453 -17.969 16.305 30 2HG PRO 4 HG1 PRO 4 28.497 -17.734 14.831 31 1HD PRO 4 HD2 PRO 4 29.763 -15.691 15.996 32 2HD PRO 4 HD1 PRO 4 28.163 -15.476 15.258 33 H GLN 5 HN GLN 5 29.555 -16.918 18.842 34 HA GLN 5 HA GLN 5 29.044 -18.953 20.777 35 1HB GLN 5 HB2 GLN 5 31.317 -18.476 21.575 36 2HB GLN 5 HB1 GLN 5 31.271 -18.652 19.827 37 1HG GLN 5 HG2 GLN 5 32.346 -16.727 19.674 38 2HG GLN 5 HG1 GLN 5 30.900 -15.928 20.287 39 1HE2 GLN 5 1HE2 GLN 5 33.867 -17.551 21.332 40 2HE2 GLN 5 2HE2 GLN 5 34.080 -16.613 22.768 41 H GLN 6 HN GLN 6 29.802 -18.466 23.146 42 HA GLN 6 HA GLN 6 27.858 -16.759 24.305 43 1HB GLN 6 HB2 GLN 6 30.141 -18.381 25.377 44 2HB GLN 6 HB1 GLN 6 29.284 -17.265 26.432 45 1HG GLN 6 HG2 GLN 6 28.164 -19.230 26.809 46 2HG GLN 6 HG1 GLN 6 27.161 -18.477 25.571 47 1HE2 GLN 6 1HE2 GLN 6 27.070 -19.374 23.529 48 2HE2 GLN 6 2HE2 GLN 6 27.724 -20.929 23.160 49 H ASP 7 HN ASP 7 28.461 -14.704 23.198 50 HA ASP 7 HA ASP 7 30.931 -13.416 23.778 51 1HB ASP 7 HB2 ASP 7 28.386 -12.676 22.440 52 2HB ASP 7 HB1 ASP 7 29.362 -11.351 23.066 53 H GLU 8 HN GLU 8 31.499 -12.048 25.371 54 HA GLU 8 HA GLU 8 29.955 -11.979 27.762 55 1HB GLU 8 HB2 GLU 8 32.550 -10.777 26.876 56 2HB GLU 8 HB1 GLU 8 31.796 -10.195 28.354 57 1HG GLU 8 HG2 GLU 8 33.485 -11.954 28.732 58 2HG GLU 8 HG1 GLU 8 31.884 -12.376 29.336 59 H MET 9 HN MET 9 30.565 -9.666 25.161 60 HA MET 9 HA MET 9 29.331 -7.440 26.421 61 1HB MET 9 HB2 MET 9 29.790 -7.992 23.484 62 2HB MET 9 HB1 MET 9 29.320 -6.439 24.160 63 1HG MET 9 HG2 MET 9 31.401 -5.951 24.815 64 2HG MET 9 HG1 MET 9 31.725 -7.595 25.360 65 1HE MET 9 HE3 MET 9 32.770 -9.466 23.923 66 2HE MET 9 HE2 MET 9 31.320 -9.437 22.921 67 3HE MET 9 HE1 MET 9 32.913 -9.406 22.166 68 HA PRO 10 HA PRO 10 25.070 -8.588 25.893 69 1HB PRO 10 HB2 PRO 10 23.937 -6.164 26.323 70 2HB PRO 10 HB1 PRO 10 24.629 -7.139 27.625 71 1HG PRO 10 HG2 PRO 10 25.822 -4.819 26.157 72 2HG PRO 10 HG1 PRO 10 25.847 -5.177 27.894 73 1HD PRO 10 HD2 PRO 10 27.949 -5.691 26.260 74 2HD PRO 10 HD1 PRO 10 27.580 -6.678 27.688 75 H SER 11 HN SER 11 23.344 -8.359 24.419 76 HA SER 11 HA SER 11 24.115 -7.525 21.800 77 1HB SER 11 HB2 SER 11 21.818 -8.224 21.153 78 2HB SER 11 HB1 SER 11 22.667 -9.461 22.078 79 HG SER 11 HG SER 11 20.413 -8.013 22.714 80 HA PRO 12 HA PRO 12 22.749 -3.301 22.149 81 1HB PRO 12 HB2 PRO 12 22.985 -2.614 19.543 82 2HB PRO 12 HB1 PRO 12 24.385 -2.833 20.598 83 1HG PRO 12 HG2 PRO 12 23.201 -4.728 18.605 84 2HG PRO 12 HG1 PRO 12 24.905 -4.337 18.900 85 1HD PRO 12 HD2 PRO 12 23.720 -6.574 19.878 86 2HD PRO 12 HD1 PRO 12 25.042 -5.740 20.720 87 H THR 13 HN THR 13 21.228 -1.813 20.750 88 HA THR 13 HA THR 13 18.639 -3.010 20.812 89 HB THR 13 HB THR 13 17.866 -0.784 19.972 90 HG1 THR 13 HG1 THR 13 19.384 0.140 18.818 91 1HG2 THR 13 3HG2 THR 13 18.197 -1.153 22.393 92 2HG2 THR 13 2HG2 THR 13 19.832 -0.513 22.230 93 3HG2 THR 13 1HG2 THR 13 18.443 0.519 21.892 94 H PHE 14 HN PHE 14 17.083 -2.653 18.929 95 HA PHE 14 HA PHE 14 18.399 -3.332 16.381 96 1HB PHE 14 HB2 PHE 14 15.796 -4.501 17.393 97 2HB PHE 14 HB1 PHE 14 16.618 -4.914 15.891 98 HD1 PHE 14 HD1 PHE 14 18.846 -6.066 16.002 99 HD2 PHE 14 HD2 PHE 14 16.357 -5.553 19.416 100 HE1 PHE 14 HE1 PHE 14 20.090 -7.837 17.172 101 HE2 PHE 14 HE2 PHE 14 17.597 -7.323 20.592 102 HZ PHE 14 HZ PHE 14 19.468 -8.467 19.469 103 H LEU 15 HN LEU 15 15.238 -2.341 17.730 104 HA LEU 15 HA LEU 15 14.287 -1.141 15.365 105 1HB LEU 15 HB2 LEU 15 13.558 -0.767 18.263 106 2HB LEU 15 HB1 LEU 15 12.742 0.102 16.978 107 HG LEU 15 HG LEU 15 12.889 -2.888 16.876 108 1HD1 LEU 15 3HD1 LEU 15 12.095 -2.365 19.124 109 2HD1 LEU 15 2HD1 LEU 15 10.864 -1.298 18.446 110 3HD1 LEU 15 1HD1 LEU 15 10.803 -3.032 18.126 111 1HD2 LEU 15 3HD2 LEU 15 12.065 -1.660 14.930 112 2HD2 LEU 15 2HD2 LEU 15 10.784 -2.617 15.673 113 3HD2 LEU 15 1HD2 LEU 15 10.847 -0.875 15.937 114 H THR 16 HN THR 16 15.862 0.266 18.231 115 HA THR 16 HA THR 16 15.811 2.947 17.453 116 HB THR 16 HB THR 16 18.045 1.668 19.030 117 HG1 THR 16 HG1 THR 16 16.530 1.058 20.337 118 1HG2 THR 16 3HG2 THR 16 16.796 4.401 19.142 119 2HG2 THR 16 2HG2 THR 16 17.950 3.772 20.319 120 3HG2 THR 16 1HG2 THR 16 18.437 3.996 18.639 121 H GLN 17 HN GLN 17 17.972 0.354 16.488 122 HA GLN 17 HA GLN 17 20.068 1.890 15.425 123 1HB GLN 17 HB2 GLN 17 19.090 -0.837 14.566 124 2HB GLN 17 HB1 GLN 17 20.632 -0.127 14.115 125 1HG GLN 17 HG2 GLN 17 19.803 -0.662 16.955 126 2HG GLN 17 HG1 GLN 17 20.735 -1.788 15.971 127 1HE2 GLN 17 1HE2 GLN 17 20.756 1.317 17.578 128 2HE2 GLN 17 2HE2 GLN 17 22.471 1.522 17.576 129 H VAL 18 HN VAL 18 16.921 1.112 14.137 130 HA VAL 18 HA VAL 18 16.907 1.214 11.512 131 HB VAL 18 HB VAL 18 14.876 1.408 12.896 132 1HG1 VAL 18 2HG1 VAL 18 15.769 3.392 14.217 133 2HG1 VAL 18 1HG1 VAL 18 15.257 4.387 12.853 134 3HG1 VAL 18 3HG1 VAL 18 14.069 3.440 13.750 135 1HG2 VAL 18 1HG2 VAL 18 14.922 1.771 10.401 136 2HG2 VAL 18 3HG2 VAL 18 13.539 2.460 11.251 137 3HG2 VAL 18 2HG2 VAL 18 14.866 3.501 10.735 138 H LYS 19 HN LYS 19 17.557 4.176 13.400 139 HA LYS 19 HA LYS 19 17.671 6.021 11.354 140 1HB LYS 19 HB2 LYS 19 18.904 5.807 14.039 141 2HB LYS 19 HB1 LYS 19 19.641 6.963 12.939 142 1HG LYS 19 HG2 LYS 19 18.106 8.296 13.965 143 2HG LYS 19 HG1 LYS 19 17.155 7.732 12.589 144 1HD LYS 19 HD2 LYS 19 16.856 5.817 14.646 145 2HD LYS 19 HD1 LYS 19 16.650 7.406 15.385 146 1HE LYS 19 HE2 LYS 19 14.991 7.971 13.658 147 2HE LYS 19 HE1 LYS 19 15.177 6.360 12.968 148 1HZ LYS 19 HZ3 LYS 19 14.496 5.505 15.221 149 2HZ LYS 19 HZ2 LYS 19 14.047 7.089 15.607 150 3HZ LYS 19 HZ1 LYS 19 13.282 6.281 14.333 151 H GLU 20 HN GLU 20 20.498 4.307 12.707 152 HA GLU 20 HA GLU 20 22.276 5.138 10.679 153 1HB GLU 20 HB2 GLU 20 22.479 2.691 12.443 154 2HB GLU 20 HB1 GLU 20 23.799 3.436 11.550 155 1HG GLU 20 HG2 GLU 20 22.328 4.504 13.937 156 2HG GLU 20 HG1 GLU 20 24.042 4.125 13.784 157 H SER 21 HN SER 21 19.973 2.560 10.862 158 HA SER 21 HA SER 21 21.005 0.846 8.877 159 1HB SER 21 HB2 SER 21 19.034 0.492 10.563 160 2HB SER 21 HB1 SER 21 18.049 1.194 9.280 161 HG SER 21 HG SER 21 18.342 -0.541 8.083 162 H LEU 22 HN LEU 22 18.820 3.629 8.705 163 HA LEU 22 HA LEU 22 18.318 3.409 5.909 164 1HB LEU 22 HB2 LEU 22 17.751 5.380 8.047 165 2HB LEU 22 HB1 LEU 22 17.791 6.004 6.410 166 HG LEU 22 HG LEU 22 16.160 4.010 5.914 167 1HD1 LEU 22 1HD1 LEU 22 15.766 4.429 8.873 168 2HD1 LEU 22 3HD1 LEU 22 14.692 3.517 7.812 169 3HD1 LEU 22 2HD1 LEU 22 16.340 2.955 8.093 170 1HD2 LEU 22 1HD2 LEU 22 15.373 6.536 7.359 171 2HD2 LEU 22 3HD2 LEU 22 15.544 6.313 5.617 172 3HD2 LEU 22 2HD2 LEU 22 14.251 5.488 6.489 173 H SER 23 HN SER 23 20.645 5.234 7.865 174 HA SER 23 HA SER 23 21.688 6.862 5.844 175 1HB SER 23 HB2 SER 23 22.172 7.160 8.264 176 2HB SER 23 HB1 SER 23 23.184 5.717 8.216 177 HG SER 23 HG SER 23 24.705 6.802 7.205 178 H SER 24 HN SER 24 22.900 3.724 7.028 179 HA SER 24 HA SER 24 24.935 3.463 5.088 180 1HB SER 24 HB2 SER 24 23.484 1.348 6.698 181 2HB SER 24 HB1 SER 24 24.937 1.055 5.742 182 HG SER 24 HG SER 24 24.630 2.425 8.150 183 H TYR 25 HN TYR 25 21.530 3.090 4.883 184 HA TYR 25 HA TYR 25 21.579 1.300 2.613 185 1HB TYR 25 HB2 TYR 25 19.598 0.891 3.641 186 2HB TYR 25 HB1 TYR 25 19.527 2.489 4.368 187 HD1 TYR 25 HD1 TYR 25 17.912 3.971 3.631 188 HD2 TYR 25 HD2 TYR 25 19.137 0.823 1.044 189 HE1 TYR 25 HE1 TYR 25 16.184 4.634 2.014 190 HE2 TYR 25 HE2 TYR 25 17.413 1.480 -0.582 191 HH TYR 25 HH TYR 25 16.113 4.054 -0.945 192 H TRP 26 HN TRP 26 20.962 4.745 3.224 193 HA TRP 26 HA TRP 26 20.317 5.462 0.576 194 1HB TRP 26 HB2 TRP 26 21.391 7.054 2.903 195 2HB TRP 26 HB1 TRP 26 21.009 7.793 1.351 196 HD1 TRP 26 HD1 TRP 26 19.509 7.471 4.567 197 HE1 TRP 26 HE1 TRP 26 16.940 7.570 4.476 198 HE3 TRP 26 HE3 TRP 26 18.838 6.644 -0.435 199 HZ2 TRP 26 HZ2 TRP 26 14.897 7.331 2.541 200 HZ3 TRP 26 HZ3 TRP 26 16.546 6.595 -1.325 201 HH2 TRP 26 HH2 TRP 26 14.617 6.932 0.133 202 H GLU 27 HN GLU 27 23.377 5.203 2.275 203 HA GLU 27 HA GLU 27 25.186 6.510 0.748 204 1HB GLU 27 HB2 GLU 27 25.252 4.024 2.331 205 2HB GLU 27 HB1 GLU 27 26.536 4.172 1.139 206 1HG GLU 27 HG2 GLU 27 27.620 5.700 2.336 207 2HG GLU 27 HG1 GLU 27 26.147 6.607 2.676 208 H SER 28 HN SER 28 24.207 3.142 0.119 209 HA SER 28 HA SER 28 25.214 3.363 -2.615 210 1HB SER 28 HB2 SER 28 25.642 1.372 -0.987 211 2HB SER 28 HB1 SER 28 24.021 0.863 -1.456 212 HG SER 28 HG SER 28 24.702 0.449 -3.443 213 H ALA 29 HN ALA 29 22.317 3.933 -1.045 214 HA ALA 29 HA ALA 29 20.411 2.700 -2.704 215 1HB ALA 29 HB3 ALA 29 19.758 3.702 -0.609 216 2HB ALA 29 HB1 ALA 29 18.859 4.458 -1.923 217 3HB ALA 29 HB2 ALA 29 20.223 5.300 -1.190 218 H LYS 30 HN LYS 30 22.102 5.802 -3.023 219 HA LYS 30 HA LYS 30 20.693 6.884 -5.144 220 1HB LYS 30 HB2 LYS 30 22.865 8.047 -5.744 221 2HB LYS 30 HB1 LYS 30 22.302 8.267 -4.094 222 1HG LYS 30 HG2 LYS 30 24.350 7.699 -3.457 223 2HG LYS 30 HG1 LYS 30 23.937 6.048 -3.922 224 1HD LYS 30 HD2 LYS 30 25.232 6.111 -5.766 225 2HD LYS 30 HD1 LYS 30 24.803 7.782 -6.134 226 1HE LYS 30 HE2 LYS 30 27.112 7.788 -5.625 227 2HE LYS 30 HE1 LYS 30 26.296 8.461 -4.216 228 1HZ LYS 30 HZ3 LYS 30 27.196 5.639 -4.467 229 2HZ LYS 30 HZ2 LYS 30 28.031 6.850 -3.633 230 3HZ LYS 30 HZ1 LYS 30 26.507 6.354 -3.096 231 H THR 31 HN THR 31 23.478 4.677 -5.314 232 HA THR 31 HA THR 31 23.829 4.512 -8.041 233 HB THR 31 HB THR 31 23.908 2.092 -6.233 234 HG1 THR 31 HG1 THR 31 25.836 4.158 -6.478 235 1HG2 THR 31 2HG2 THR 31 25.593 2.882 -8.596 236 2HG2 THR 31 1HG2 THR 31 25.854 1.466 -7.578 237 3HG2 THR 31 3HG2 THR 31 24.386 1.597 -8.547 238 H ALA 32 HN ALA 32 21.437 2.952 -5.986 239 HA ALA 32 HA ALA 32 20.267 1.286 -7.942 240 1HB ALA 32 HB1 ALA 32 18.633 2.469 -5.736 241 2HB ALA 32 HB3 ALA 32 18.617 0.832 -6.393 242 3HB ALA 32 HB2 ALA 32 19.943 1.353 -5.352 243 H ALA 33 HN ALA 33 19.511 4.602 -6.872 244 HA ALA 33 HA ALA 33 17.238 5.100 -8.348 245 1HB ALA 33 HB1 ALA 33 18.413 6.635 -6.692 246 2HB ALA 33 HB3 ALA 33 19.410 7.153 -8.051 247 3HB ALA 33 HB2 ALA 33 17.665 7.400 -8.094 248 H GLN 34 HN GLN 34 20.588 5.628 -9.427 249 HA GLN 34 HA GLN 34 19.885 6.375 -12.063 250 1HB GLN 34 HB2 GLN 34 22.446 5.256 -10.910 251 2HB GLN 34 HB1 GLN 34 22.290 5.774 -12.582 252 1HG GLN 34 HG2 GLN 34 23.170 7.657 -11.660 253 2HG GLN 34 HG1 GLN 34 21.452 8.003 -11.478 254 1HE2 GLN 34 1HE2 GLN 34 24.146 6.465 -9.742 255 2HE2 GLN 34 2HE2 GLN 34 23.678 7.025 -8.176 256 H ASN 35 HN ASN 35 20.627 3.301 -10.516 257 HA ASN 35 HA ASN 35 20.707 1.708 -12.840 258 1HB ASN 35 HB2 ASN 35 21.393 1.107 -10.412 259 2HB ASN 35 HB1 ASN 35 19.699 0.672 -10.203 260 1HD2 ASN 35 1HD2 ASN 35 22.672 -0.078 -11.871 261 2HD2 ASN 35 2HD2 ASN 35 22.209 -1.660 -12.390 262 H LEU 36 HN LEU 36 18.064 3.049 -11.055 263 HA LEU 36 HA LEU 36 15.970 1.366 -11.819 264 1HB LEU 36 HB2 LEU 36 16.007 3.441 -10.217 265 2HB LEU 36 HB1 LEU 36 15.619 4.344 -11.668 266 HG LEU 36 HG LEU 36 13.646 2.730 -11.943 267 1HD1 LEU 36 3HD1 LEU 36 14.345 2.195 -9.059 268 2HD1 LEU 36 2HD1 LEU 36 12.833 1.735 -9.844 269 3HD1 LEU 36 1HD1 LEU 36 14.357 1.026 -10.381 270 1HD2 LEU 36 3HD2 LEU 36 13.401 5.068 -11.291 271 2HD2 LEU 36 2HD2 LEU 36 12.253 4.044 -10.430 272 3HD2 LEU 36 1HD2 LEU 36 13.696 4.636 -9.607 273 H TYR 37 HN TYR 37 17.398 4.209 -13.314 274 HA TYR 37 HA TYR 37 15.799 4.231 -15.657 275 1HB TYR 37 HB2 TYR 37 18.516 5.371 -15.008 276 2HB TYR 37 HB1 TYR 37 17.801 5.537 -16.607 277 HD1 TYR 37 HD1 TYR 37 15.905 6.996 -16.979 278 HD2 TYR 37 HD2 TYR 37 17.571 6.548 -13.090 279 HE1 TYR 37 HE1 TYR 37 14.660 8.978 -16.223 280 HE2 TYR 37 HE2 TYR 37 16.332 8.527 -12.323 281 HH TYR 37 HH TYR 37 15.237 10.773 -13.983 282 H GLU 38 HN GLU 38 18.771 2.590 -14.726 283 HA GLU 38 HA GLU 38 19.577 1.633 -17.231 284 1HB GLU 38 HB2 GLU 38 21.007 1.494 -15.251 285 2HB GLU 38 HB1 GLU 38 19.915 0.325 -14.528 286 1HG GLU 38 HG2 GLU 38 21.025 -0.335 -17.189 287 2HG GLU 38 HG1 GLU 38 22.129 -0.376 -15.815 288 H LYS 39 HN LYS 39 17.709 -0.101 -14.761 289 HA LYS 39 HA LYS 39 17.123 -2.357 -16.297 290 1HB LYS 39 HB2 LYS 39 16.554 -1.437 -13.705 291 2HB LYS 39 HB1 LYS 39 14.995 -1.786 -14.437 292 1HG LYS 39 HG2 LYS 39 15.694 -3.755 -13.337 293 2HG LYS 39 HG1 LYS 39 15.906 -4.039 -15.066 294 1HD LYS 39 HD2 LYS 39 18.332 -2.989 -14.345 295 2HD LYS 39 HD1 LYS 39 17.893 -3.927 -12.917 296 1HE LYS 39 HE2 LYS 39 19.132 -5.357 -14.368 297 2HE LYS 39 HE1 LYS 39 17.446 -5.868 -14.427 298 1HZ LYS 39 HZ1 LYS 39 18.689 -4.077 -16.441 299 2HZ LYS 39 HZ3 LYS 39 18.572 -5.756 -16.624 300 3HZ LYS 39 HZ2 LYS 39 17.170 -4.816 -16.526 301 H THR 40 HN THR 40 15.916 0.803 -16.695 302 HA THR 40 HA THR 40 13.279 0.197 -17.557 303 HB THR 40 HB THR 40 14.980 2.525 -18.462 304 HG1 THR 40 HG1 THR 40 13.441 2.212 -16.102 305 1HG2 THR 40 1HG2 THR 40 12.001 2.218 -18.194 306 2HG2 THR 40 3HG2 THR 40 12.837 3.734 -18.529 307 3HG2 THR 40 2HG2 THR 40 12.920 2.406 -19.687 308 H TYR 41 HN TYR 41 16.313 0.696 -19.281 309 HA TYR 41 HA TYR 41 15.302 0.214 -21.880 310 1HB TYR 41 HB2 TYR 41 18.158 -0.370 -21.174 311 2HB TYR 41 HB1 TYR 41 17.501 0.348 -22.638 312 HD1 TYR 41 HD1 TYR 41 19.363 1.027 -19.806 313 HD2 TYR 41 HD2 TYR 41 16.202 2.681 -22.127 314 HE1 TYR 41 HE1 TYR 41 19.901 3.262 -18.936 315 HE2 TYR 41 HE2 TYR 41 16.732 4.920 -21.263 316 HH TYR 41 HH TYR 41 18.164 5.632 -18.745 317 H LEU 42 HN LEU 42 17.020 -1.911 -19.590 318 HA LEU 42 HA LEU 42 16.926 -4.188 -21.312 319 1HB LEU 42 HB2 LEU 42 17.687 -3.735 -18.453 320 2HB LEU 42 HB1 LEU 42 17.520 -5.370 -19.066 321 HG LEU 42 HG LEU 42 19.177 -4.666 -20.898 322 1HD1 LEU 42 1HD1 LEU 42 19.285 -2.324 -19.057 323 2HD1 LEU 42 3HD1 LEU 42 20.763 -2.867 -19.852 324 3HD1 LEU 42 2HD1 LEU 42 19.369 -2.381 -20.817 325 1HD2 LEU 42 1HD2 LEU 42 19.723 -6.198 -19.075 326 2HD2 LEU 42 3HD2 LEU 42 21.086 -5.147 -19.459 327 3HD2 LEU 42 2HD2 LEU 42 20.100 -4.828 -18.031 328 HA PRO 43 HA PRO 43 12.937 -5.741 -20.088 329 1HB PRO 43 HB2 PRO 43 12.947 -7.991 -21.505 330 2HB PRO 43 HB1 PRO 43 13.009 -6.420 -22.311 331 1HG PRO 43 HG2 PRO 43 15.185 -8.401 -21.852 332 2HG PRO 43 HG1 PRO 43 14.925 -7.314 -23.227 333 1HD PRO 43 HD2 PRO 43 16.664 -6.893 -21.036 334 2HD PRO 43 HD1 PRO 43 16.216 -5.711 -22.280 335 H ALA 44 HN ALA 44 15.264 -6.349 -18.241 336 HA ALA 44 HA ALA 44 15.195 -9.065 -17.468 337 1HB ALA 44 HB3 ALA 44 15.933 -6.677 -15.785 338 2HB ALA 44 HB2 ALA 44 16.374 -8.357 -15.480 339 3HB ALA 44 HB1 ALA 44 17.019 -7.519 -16.891 340 H VAL 45 HN VAL 45 12.927 -6.559 -16.972 341 HA VAL 45 HA VAL 45 11.818 -6.884 -14.528 342 HB VAL 45 HB VAL 45 10.253 -6.619 -17.100 343 1HG1 VAL 45 3HG1 VAL 45 9.509 -6.202 -14.221 344 2HG1 VAL 45 2HG1 VAL 45 8.651 -5.387 -15.529 345 3HG1 VAL 45 1HG1 VAL 45 8.675 -7.150 -15.454 346 1HG2 VAL 45 2HG2 VAL 45 11.684 -4.640 -15.365 347 2HG2 VAL 45 1HG2 VAL 45 11.717 -4.814 -17.120 348 3HG2 VAL 45 3HG2 VAL 45 10.288 -4.151 -16.326 349 H ASP 46 HN ASP 46 10.749 -8.789 -17.366 350 HA ASP 46 HA ASP 46 9.126 -10.538 -15.844 351 1HB ASP 46 HB2 ASP 46 10.180 -10.567 -18.650 352 2HB ASP 46 HB1 ASP 46 9.359 -11.986 -18.005 353 H GLU 47 HN GLU 47 12.515 -10.662 -16.790 354 HA GLU 47 HA GLU 47 12.910 -13.422 -16.218 355 1HB GLU 47 HB2 GLU 47 14.508 -12.260 -17.597 356 2HB GLU 47 HB1 GLU 47 14.844 -11.102 -16.319 357 1HG GLU 47 HG2 GLU 47 16.605 -12.828 -16.652 358 2HG GLU 47 HG1 GLU 47 15.964 -12.741 -15.014 359 H LYS 48 HN LYS 48 13.714 -10.503 -14.324 360 HA LYS 48 HA LYS 48 14.634 -11.746 -12.020 361 1HB LYS 48 HB2 LYS 48 13.140 -9.133 -12.300 362 2HB LYS 48 HB1 LYS 48 13.989 -9.640 -10.847 363 1HG LYS 48 HG2 LYS 48 15.387 -9.423 -13.491 364 2HG LYS 48 HG1 LYS 48 15.182 -8.033 -12.424 365 1HD LYS 48 HD2 LYS 48 16.948 -8.679 -11.241 366 2HD LYS 48 HD1 LYS 48 16.141 -10.200 -10.860 367 1HE LYS 48 HE2 LYS 48 17.458 -9.883 -13.517 368 2HE LYS 48 HE1 LYS 48 18.460 -10.171 -12.096 369 1HZ LYS 48 HZ1 LYS 48 16.985 -12.136 -11.650 370 2HZ LYS 48 HZ3 LYS 48 16.330 -11.912 -13.195 371 3HZ LYS 48 HZ2 LYS 48 17.974 -12.267 -13.017 372 H LEU 49 HN LEU 49 11.359 -11.363 -13.155 373 HA LEU 49 HA LEU 49 10.002 -11.745 -10.715 374 1HB LEU 49 HB2 LEU 49 9.319 -11.585 -13.513 375 2HB LEU 49 HB1 LEU 49 8.441 -12.900 -12.756 376 HG LEU 49 HG LEU 49 7.820 -11.142 -10.950 377 1HD1 LEU 49 2HD1 LEU 49 9.450 -9.464 -11.867 378 2HD1 LEU 49 1HD1 LEU 49 8.366 -9.275 -13.245 379 3HD1 LEU 49 3HD1 LEU 49 7.809 -8.868 -11.621 380 1HD2 LEU 49 3HD2 LEU 49 6.679 -11.052 -13.740 381 2HD2 LEU 49 2HD2 LEU 49 6.203 -12.146 -12.441 382 3HD2 LEU 49 1HD2 LEU 49 5.888 -10.417 -12.298 383 H ARG 50 HN ARG 50 10.396 -14.092 -13.374 384 HA ARG 50 HA ARG 50 9.766 -16.347 -11.797 385 1HB ARG 50 HB2 ARG 50 11.099 -15.963 -14.460 386 2HB ARG 50 HB1 ARG 50 11.055 -17.556 -13.719 387 1HG ARG 50 HG2 ARG 50 9.166 -17.681 -14.967 388 2HG ARG 50 HG1 ARG 50 8.482 -16.987 -13.496 389 1HD ARG 50 HD2 ARG 50 9.396 -14.816 -15.017 390 2HD ARG 50 HD1 ARG 50 8.594 -15.894 -16.156 391 HE ARG 50 HE ARG 50 6.834 -15.745 -14.108 392 1HH1 ARG 50 1HH1 ARG 50 8.476 -13.308 -16.015 393 2HH1 ARG 50 2HH1 ARG 50 7.191 -12.157 -15.871 394 1HH2 ARG 50 1HH2 ARG 50 5.147 -14.225 -13.924 395 2HH2 ARG 50 2HH2 ARG 50 5.301 -12.678 -14.685 396 H ASP 51 HN ASP 51 12.767 -14.655 -12.476 397 HA ASP 51 HA ASP 51 14.630 -16.554 -11.654 398 1HB ASP 51 HB2 ASP 51 15.023 -14.247 -12.721 399 2HB ASP 51 HB1 ASP 51 14.952 -13.614 -11.081 400 H LEU 52 HN LEU 52 13.347 -13.871 -9.680 401 HA LEU 52 HA LEU 52 14.420 -14.852 -7.252 402 1HB LEU 52 HB2 LEU 52 12.207 -12.877 -7.796 403 2HB LEU 52 HB1 LEU 52 12.847 -13.205 -6.197 404 HG LEU 52 HG LEU 52 14.672 -12.308 -8.401 405 1HD1 LEU 52 2HD1 LEU 52 12.795 -10.710 -8.300 406 2HD1 LEU 52 1HD1 LEU 52 13.113 -10.481 -6.580 407 3HD1 LEU 52 3HD1 LEU 52 14.322 -10.006 -7.772 408 1HD2 LEU 52 3HD2 LEU 52 15.655 -13.171 -6.333 409 2HD2 LEU 52 2HD2 LEU 52 15.981 -11.449 -6.532 410 3HD2 LEU 52 1HD2 LEU 52 14.738 -11.986 -5.402 411 H TYR 53 HN TYR 53 11.539 -15.629 -9.015 412 HA TYR 53 HA TYR 53 9.964 -16.586 -6.860 413 1HB TYR 53 HB2 TYR 53 9.252 -16.042 -9.290 414 2HB TYR 53 HB1 TYR 53 9.796 -17.675 -9.661 415 HD1 TYR 53 HD1 TYR 53 7.217 -15.653 -8.083 416 HD2 TYR 53 HD2 TYR 53 8.630 -19.620 -8.686 417 HE1 TYR 53 HE1 TYR 53 5.040 -16.533 -7.355 418 HE2 TYR 53 HE2 TYR 53 6.457 -20.511 -7.961 419 HH TYR 53 HH TYR 53 3.814 -19.148 -7.964 420 H SER 54 HN SER 54 12.209 -18.186 -9.105 421 HA SER 54 HA SER 54 11.844 -20.815 -8.183 422 1HB SER 54 HB2 SER 54 14.322 -19.559 -9.396 423 2HB SER 54 HB1 SER 54 14.024 -21.290 -9.243 424 HG SER 54 HG SER 54 12.920 -19.437 -10.997 425 H LYS 55 HN LYS 55 14.275 -18.370 -7.284 426 HA LYS 55 HA LYS 55 15.605 -19.908 -5.341 427 1HB LYS 55 HB2 LYS 55 16.595 -17.894 -6.273 428 2HB LYS 55 HB1 LYS 55 15.310 -16.909 -5.593 429 1HG LYS 55 HG2 LYS 55 16.355 -18.237 -3.401 430 2HG LYS 55 HG1 LYS 55 17.767 -17.850 -4.386 431 1HD LYS 55 HD2 LYS 55 17.505 -15.975 -3.016 432 2HD LYS 55 HD1 LYS 55 16.766 -15.491 -4.543 433 1HE LYS 55 HE2 LYS 55 14.918 -16.787 -2.679 434 2HE LYS 55 HE1 LYS 55 15.600 -15.278 -2.077 435 1HZ LYS 55 HZ1 LYS 55 14.893 -14.244 -4.208 436 2HZ LYS 55 HZ3 LYS 55 14.084 -15.679 -4.596 437 3HZ LYS 55 HZ2 LYS 55 13.608 -14.778 -3.247 438 H SER 56 HN SER 56 12.870 -17.662 -5.097 439 HA SER 56 HA SER 56 12.624 -17.673 -2.298 440 1HB SER 56 HB2 SER 56 10.731 -17.052 -4.543 441 2HB SER 56 HB1 SER 56 10.160 -17.065 -2.876 442 HG SER 56 HG SER 56 11.488 -15.398 -2.395 443 H THR 57 HN THR 57 11.652 -20.093 -4.635 444 HA THR 57 HA THR 57 9.579 -21.336 -3.245 445 HB THR 57 HB THR 57 11.670 -22.669 -4.981 446 HG1 THR 57 HG1 THR 57 10.810 -21.388 -6.412 447 1HG2 THR 57 1HG2 THR 57 8.885 -23.507 -4.226 448 2HG2 THR 57 3HG2 THR 57 9.795 -24.203 -5.565 449 3HG2 THR 57 2HG2 THR 57 10.394 -24.365 -3.914 450 H ALA 58 HN ALA 58 13.092 -21.801 -2.997 451 HA ALA 58 HA ALA 58 12.768 -23.788 -0.900 452 1HB ALA 58 HB1 ALA 58 15.206 -23.951 -0.959 453 2HB ALA 58 HB3 ALA 58 14.509 -24.118 -2.570 454 3HB ALA 58 HB2 ALA 58 15.270 -22.601 -2.092 455 H ALA 59 HN ALA 59 14.089 -20.498 -1.239 456 HA ALA 59 HA ALA 59 14.950 -20.187 1.418 457 1HB ALA 59 HB3 ALA 59 14.891 -17.751 0.926 458 2HB ALA 59 HB1 ALA 59 14.112 -18.123 -0.613 459 3HB ALA 59 HB2 ALA 59 15.746 -18.703 -0.288 460 H MET 60 HN MET 60 12.027 -18.764 -0.084 461 HA MET 60 HA MET 60 10.889 -17.893 2.329 462 1HB MET 60 HB2 MET 60 9.525 -18.542 -0.286 463 2HB MET 60 HB1 MET 60 8.787 -17.665 1.045 464 1HG MET 60 HG2 MET 60 10.784 -16.053 0.790 465 2HG MET 60 HG1 MET 60 10.978 -16.802 -0.794 466 1HE MET 60 HE3 MET 60 8.018 -15.475 1.502 467 2HE MET 60 HE2 MET 60 9.200 -14.182 1.301 468 3HE MET 60 HE1 MET 60 7.597 -14.031 0.583 469 H SER 61 HN SER 61 11.103 -21.087 1.101 470 HA SER 61 HA SER 61 8.692 -22.153 2.137 471 1HB SER 61 HB2 SER 61 11.045 -23.157 0.821 472 2HB SER 61 HB1 SER 61 10.654 -24.188 2.196 473 HG SER 61 HG SER 61 9.236 -23.726 -0.146 474 H THR 62 HN THR 62 11.581 -21.132 3.687 475 HA THR 62 HA THR 62 10.987 -22.693 6.097 476 HB THR 62 HB THR 62 13.189 -21.874 6.910 477 HG1 THR 62 HG1 THR 62 13.812 -20.111 5.943 478 1HG2 THR 62 1HG2 THR 62 13.070 -23.990 5.641 479 2HG2 THR 62 3HG2 THR 62 13.441 -23.088 4.172 480 3HG2 THR 62 2HG2 THR 62 14.616 -23.156 5.486 481 H TYR 63 HN TYR 63 11.625 -19.344 5.077 482 HA TYR 63 HA TYR 63 10.985 -18.138 7.530 483 1HB TYR 63 HB2 TYR 63 10.823 -16.901 4.775 484 2HB TYR 63 HB1 TYR 63 10.969 -16.044 6.306 485 HD1 TYR 63 HD1 TYR 63 13.102 -16.776 7.740 486 HD2 TYR 63 HD2 TYR 63 12.735 -17.193 3.522 487 HE1 TYR 63 HE1 TYR 63 15.552 -16.839 7.540 488 HE2 TYR 63 HE2 TYR 63 15.183 -17.257 3.309 489 HH TYR 63 HH TYR 63 17.196 -17.990 5.404 490 H THR 64 HN THR 64 8.992 -19.490 5.055 491 HA THR 64 HA THR 64 6.703 -17.866 5.530 492 HB THR 64 HB THR 64 7.166 -20.480 4.145 493 HG1 THR 64 HG1 THR 64 6.035 -17.996 3.369 494 1HG2 THR 64 2HG2 THR 64 4.470 -19.399 4.896 495 2HG2 THR 64 1HG2 THR 64 4.724 -20.438 3.493 496 3HG2 THR 64 3HG2 THR 64 5.099 -21.033 5.110 497 H GLY 65 HN GLY 65 7.452 -21.203 6.517 498 1HA GLY 65 HA1 GLY 65 6.749 -22.416 8.341 499 2HA GLY 65 HA2 GLY 65 5.306 -21.406 8.350 500 H ILE 66 HN ILE 66 8.654 -20.341 8.649 501 HA ILE 66 HA ILE 66 8.729 -20.087 11.463 502 HB ILE 66 HB ILE 66 10.342 -18.738 9.297 503 1HG1 ILE 66 2HG1 ILE 66 11.288 -20.739 11.339 504 2HG1 ILE 66 1HG1 ILE 66 10.520 -21.259 9.843 505 1HG2 ILE 66 2HG2 ILE 66 10.510 -18.434 12.278 506 2HG2 ILE 66 1HG2 ILE 66 11.914 -18.184 11.242 507 3HG2 ILE 66 3HG2 ILE 66 10.478 -17.181 11.038 508 1HD1 ILE 66 3HD1 ILE 66 12.338 -19.668 8.779 509 2HD1 ILE 66 2HD1 ILE 66 13.176 -20.024 10.289 510 3HD1 ILE 66 1HD1 ILE 66 12.699 -21.338 9.214 511 H PHE 67 HN PHE 67 8.408 -17.553 8.965 512 HA PHE 67 HA PHE 67 7.876 -15.393 10.607 513 1HB PHE 67 HB2 PHE 67 8.250 -15.155 8.199 514 2HB PHE 67 HB1 PHE 67 6.709 -15.938 7.867 515 HD1 PHE 67 HD1 PHE 67 4.684 -14.728 7.914 516 HD2 PHE 67 HD2 PHE 67 8.280 -12.918 9.293 517 HE1 PHE 67 HE1 PHE 67 3.557 -12.542 7.974 518 HE2 PHE 67 HE2 PHE 67 7.159 -10.729 9.356 519 HZ PHE 67 HZ PHE 67 4.794 -10.539 8.696 520 H THR 68 HN THR 68 5.452 -17.483 9.035 521 HA THR 68 HA THR 68 3.228 -16.330 10.314 522 HB THR 68 HB THR 68 3.434 -19.131 9.207 523 HG1 THR 68 HG1 THR 68 3.823 -18.098 7.421 524 1HG2 THR 68 3HG2 THR 68 1.115 -17.326 9.767 525 2HG2 THR 68 2HG2 THR 68 1.024 -18.603 8.554 526 3HG2 THR 68 1HG2 THR 68 1.354 -19.007 10.239 527 H ASP 69 HN ASP 69 5.552 -18.609 11.419 528 HA ASP 69 HA ASP 69 4.071 -20.038 13.317 529 1HB ASP 69 HB2 ASP 69 6.753 -19.899 12.596 530 2HB ASP 69 HB1 ASP 69 6.744 -19.368 14.274 531 H GLN 70 HN GLN 70 6.066 -17.125 13.864 532 HA GLN 70 HA GLN 70 5.077 -16.696 16.497 533 1HB GLN 70 HB2 GLN 70 6.612 -14.933 14.590 534 2HB GLN 70 HB1 GLN 70 6.172 -14.424 16.215 535 1HG GLN 70 HG2 GLN 70 7.464 -16.231 17.168 536 2HG GLN 70 HG1 GLN 70 7.845 -16.838 15.557 537 1HE2 GLN 70 1HE2 GLN 70 8.452 -14.335 17.902 538 2HE2 GLN 70 2HE2 GLN 70 9.865 -13.692 17.145 539 H VAL 71 HN VAL 71 3.928 -15.805 13.356 540 HA VAL 71 HA VAL 71 2.331 -13.575 14.104 541 HB VAL 71 HB VAL 71 2.088 -15.468 11.753 542 1HG1 VAL 71 3HG1 VAL 71 0.547 -12.977 12.431 543 2HG1 VAL 71 2HG1 VAL 71 0.694 -13.577 10.778 544 3HG1 VAL 71 1HG1 VAL 71 -0.074 -14.574 12.013 545 1HG2 VAL 71 3HG2 VAL 71 4.061 -13.712 12.176 546 2HG2 VAL 71 2HG2 VAL 71 3.429 -14.074 10.571 547 3HG2 VAL 71 1HG2 VAL 71 2.880 -12.636 11.430 548 H LEU 72 HN LEU 72 1.565 -16.978 13.442 549 HA LEU 72 HA LEU 72 -1.114 -16.939 14.251 550 1HB LEU 72 HB2 LEU 72 0.905 -18.958 13.655 551 2HB LEU 72 HB1 LEU 72 -0.171 -19.465 14.942 552 HG LEU 72 HG LEU 72 -0.909 -20.230 12.714 553 1HD1 LEU 72 1HD1 LEU 72 -2.517 -19.841 14.552 554 2HD1 LEU 72 3HD1 LEU 72 -2.792 -18.214 13.928 555 3HD1 LEU 72 2HD1 LEU 72 -3.224 -19.618 12.952 556 1HD2 LEU 72 3HD2 LEU 72 -0.045 -18.039 11.631 557 2HD2 LEU 72 2HD2 LEU 72 -1.493 -18.809 10.982 558 3HD2 LEU 72 1HD2 LEU 72 -1.641 -17.408 12.043 559 H SER 73 HN SER 73 1.904 -17.247 16.022 560 HA SER 73 HA SER 73 0.889 -18.060 18.501 561 1HB SER 73 HB2 SER 73 3.360 -17.777 17.696 562 2HB SER 73 HB1 SER 73 3.190 -16.139 18.329 563 HG SER 73 HG SER 73 3.985 -17.480 19.944 564 H VAL 74 HN VAL 74 1.025 -14.895 17.010 565 HA VAL 74 HA VAL 74 0.277 -13.441 19.354 566 HB VAL 74 HB VAL 74 -0.109 -12.588 16.478 567 1HG1 VAL 74 3HG1 VAL 74 -0.412 -11.269 19.087 568 2HG1 VAL 74 2HG1 VAL 74 0.481 -10.346 17.879 569 3HG1 VAL 74 1HG1 VAL 74 -1.156 -10.901 17.532 570 1HG2 VAL 74 2HG2 VAL 74 2.326 -12.926 18.055 571 2HG2 VAL 74 1HG2 VAL 74 2.119 -12.724 16.316 572 3HG2 VAL 74 3HG2 VAL 74 2.147 -11.311 17.371 573 H LEU 75 HN LEU 75 -1.433 -15.374 17.072 574 HA LEU 75 HA LEU 75 -3.994 -14.183 17.239 575 1HB LEU 75 HB2 LEU 75 -2.960 -16.153 15.727 576 2HB LEU 75 HB1 LEU 75 -3.812 -17.120 16.915 577 HG LEU 75 HG LEU 75 -5.863 -15.672 16.350 578 1HD1 LEU 75 3HD1 LEU 75 -4.671 -13.926 15.133 579 2HD1 LEU 75 2HD1 LEU 75 -4.157 -15.107 13.928 580 3HD1 LEU 75 1HD1 LEU 75 -5.867 -14.715 14.107 581 1HD2 LEU 75 1HD2 LEU 75 -5.563 -18.043 15.724 582 2HD2 LEU 75 3HD2 LEU 75 -6.467 -17.126 14.518 583 3HD2 LEU 75 2HD2 LEU 75 -4.773 -17.525 14.235 584 H LYS 76 HN LYS 76 -2.313 -16.586 19.126 585 HA LYS 76 HA LYS 76 -4.513 -17.286 20.803 586 1HB LYS 76 HB2 LYS 76 -1.538 -17.619 21.239 587 2HB LYS 76 HB1 LYS 76 -2.790 -18.357 22.228 588 1HG LYS 76 HG2 LYS 76 -2.666 -20.109 20.875 589 2HG LYS 76 HG1 LYS 76 -3.451 -19.112 19.649 590 1HD LYS 76 HD2 LYS 76 -1.015 -18.279 19.189 591 2HD LYS 76 HD1 LYS 76 -0.559 -19.784 19.988 592 1HE LYS 76 HE2 LYS 76 -2.580 -19.801 17.783 593 2HE LYS 76 HE1 LYS 76 -0.861 -19.733 17.405 594 1HZ LYS 76 HZ2 LYS 76 -0.544 -21.768 18.682 595 2HZ LYS 76 HZ1 LYS 76 -2.200 -21.837 19.018 596 3HZ LYS 76 HZ3 LYS 76 -1.652 -22.005 17.426 597 H GLY 77 HN GLY 77 -2.096 -14.757 20.868 598 1HA GLY 77 HA1 GLY 77 -1.538 -13.236 22.549 599 2HA GLY 77 HA2 GLY 77 -2.660 -14.047 23.629 600 H GLU 78 HN GLU 78 -5.017 -13.913 22.164 601 HA GLU 78 HA GLU 78 -6.800 -12.582 21.748 602 1HB GLU 78 HB2 GLU 78 -5.227 -10.592 23.393 603 2HB GLU 78 HB1 GLU 78 -6.928 -10.443 22.979 604 1HG GLU 78 HG2 GLU 78 -7.018 -11.290 25.112 605 2HG GLU 78 HG1 GLU 78 -7.167 -12.746 24.130 606 H GLU 79 HN GLU 79 -4.587 -12.544 19.793 607 HA GLU 79 HA GLU 79 -5.419 -10.136 18.377 608 1HB GLU 79 HB2 GLU 79 -2.611 -10.725 19.229 609 2HB GLU 79 HB1 GLU 79 -2.880 -9.919 17.691 610 1HG GLU 79 HG2 GLU 79 -2.870 -8.026 18.845 611 2HG GLU 79 HG1 GLU 79 -4.474 -8.491 19.410 No H/Q in entry = 611 Start of MODEL 22 1 H1 THR 1 HT3 THR 1 18.872 -2.687 34.858 2 H2 THR 1 HT2 THR 1 18.244 -3.823 33.736 3 H3 THR 1 HT1 THR 1 19.060 -4.366 35.145 4 HA THR 1 HA THR 1 21.097 -3.529 34.397 5 HB THR 1 HB THR 1 21.326 -4.854 32.281 6 HG1 THR 1 HG1 THR 1 19.549 -4.852 31.149 7 1HG2 THR 1 1HG2 THR 1 21.328 -5.957 34.528 8 2HG2 THR 1 3HG2 THR 1 19.626 -6.332 34.264 9 3HG2 THR 1 2HG2 THR 1 20.851 -6.986 33.178 10 H GLN 2 HN GLN 2 22.351 -2.280 32.998 11 HA GLN 2 HA GLN 2 21.159 0.056 31.970 12 1HB GLN 2 HB2 GLN 2 23.543 -0.176 32.733 13 2HB GLN 2 HB1 GLN 2 23.880 -1.045 31.242 14 1HG GLN 2 HG2 GLN 2 22.597 1.604 30.976 15 2HG GLN 2 HG1 GLN 2 24.269 1.578 31.531 16 1HE2 GLN 2 1HE2 GLN 2 22.224 1.464 28.860 17 2HE2 GLN 2 2HE2 GLN 2 23.394 1.031 27.664 18 H GLN 3 HN GLN 3 22.656 -2.689 30.242 19 HA GLN 3 HA GLN 3 21.322 -1.826 27.781 20 1HB GLN 3 HB2 GLN 3 23.699 -3.510 28.399 21 2HB GLN 3 HB1 GLN 3 22.791 -3.894 26.944 22 1HG GLN 3 HG2 GLN 3 23.261 -1.845 25.957 23 2HG GLN 3 HG1 GLN 3 23.696 -1.097 27.493 24 1HE2 GLN 3 1HE2 GLN 3 25.735 -1.478 28.374 25 2HE2 GLN 3 2HE2 GLN 3 27.028 -2.138 27.438 26 HA PRO 4 HA PRO 4 18.349 -5.073 28.668 27 1HB PRO 4 HB2 PRO 4 16.549 -4.397 26.795 28 2HB PRO 4 HB1 PRO 4 16.772 -3.442 28.265 29 1HG PRO 4 HG2 PRO 4 17.793 -2.934 25.502 30 2HG PRO 4 HG1 PRO 4 17.117 -1.790 26.674 31 1HD PRO 4 HD2 PRO 4 19.806 -2.140 26.226 32 2HD PRO 4 HD1 PRO 4 19.119 -1.520 27.738 33 H GLN 5 HN GLN 5 20.645 -5.184 26.425 34 HA GLN 5 HA GLN 5 19.492 -6.810 24.381 35 1HB GLN 5 HB2 GLN 5 22.325 -6.194 25.199 36 2HB GLN 5 HB1 GLN 5 21.971 -7.365 23.938 37 1HG GLN 5 HG2 GLN 5 22.099 -5.628 22.554 38 2HG GLN 5 HG1 GLN 5 20.483 -5.232 23.135 39 1HE2 GLN 5 1HE2 GLN 5 20.223 -3.559 24.628 40 2HE2 GLN 5 2HE2 GLN 5 21.463 -2.391 24.917 41 H GLN 6 HN GLN 6 21.908 -7.636 26.890 42 HA GLN 6 HA GLN 6 21.491 -10.432 26.631 43 1HB GLN 6 HB2 GLN 6 23.141 -10.694 28.218 44 2HB GLN 6 HB1 GLN 6 23.524 -9.094 27.605 45 1HG GLN 6 HG2 GLN 6 21.906 -9.607 30.091 46 2HG GLN 6 HG1 GLN 6 23.643 -9.317 30.078 47 1HE2 GLN 6 1HE2 GLN 6 21.082 -7.846 31.018 48 2HE2 GLN 6 2HE2 GLN 6 21.361 -6.222 30.499 49 H ASP 7 HN ASP 7 19.847 -7.964 28.404 50 HA ASP 7 HA ASP 7 18.730 -9.598 30.447 51 1HB ASP 7 HB2 ASP 7 18.940 -7.006 30.318 52 2HB ASP 7 HB1 ASP 7 17.426 -7.089 29.423 53 H GLU 8 HN GLU 8 16.441 -10.122 30.668 54 HA GLU 8 HA GLU 8 15.444 -11.484 28.379 55 1HB GLU 8 HB2 GLU 8 13.561 -12.112 29.808 56 2HB GLU 8 HB1 GLU 8 15.091 -12.345 30.639 57 1HG GLU 8 HG2 GLU 8 14.208 -11.224 32.335 58 2HG GLU 8 HG1 GLU 8 14.352 -9.776 31.340 59 H MET 9 HN MET 9 14.851 -8.325 29.730 60 HA MET 9 HA MET 9 12.329 -7.856 28.514 61 1HB MET 9 HB2 MET 9 14.393 -6.207 29.869 62 2HB MET 9 HB1 MET 9 13.280 -5.361 28.803 63 1HG MET 9 HG2 MET 9 11.618 -5.493 30.266 64 2HG MET 9 HG1 MET 9 11.911 -7.204 30.571 65 1HE MET 9 HE1 MET 9 13.634 -8.122 32.316 66 2HE MET 9 HE3 MET 9 13.507 -7.348 33.896 67 3HE MET 9 HE2 MET 9 12.047 -7.783 33.007 68 HA PRO 10 HA PRO 10 13.310 -7.240 24.250 69 1HB PRO 10 HB2 PRO 10 11.424 -4.943 24.390 70 2HB PRO 10 HB1 PRO 10 11.422 -6.337 23.306 71 1HG PRO 10 HG2 PRO 10 9.675 -6.171 25.307 72 2HG PRO 10 HG1 PRO 10 10.420 -7.721 24.875 73 1HD PRO 10 HD2 PRO 10 11.033 -5.894 27.159 74 2HD PRO 10 HD1 PRO 10 11.004 -7.669 27.109 75 H SER 11 HN SER 11 15.218 -6.389 23.717 76 HA SER 11 HA SER 11 16.204 -3.941 24.798 77 1HB SER 11 HB2 SER 11 17.566 -5.983 24.048 78 2HB SER 11 HB1 SER 11 17.366 -5.364 22.410 79 HG SER 11 HG SER 11 18.699 -3.765 22.835 80 HA PRO 12 HA PRO 12 14.226 -1.463 21.590 81 1HB PRO 12 HB2 PRO 12 14.875 0.864 23.152 82 2HB PRO 12 HB1 PRO 12 13.301 0.102 22.927 83 1HG PRO 12 HG2 PRO 12 14.671 0.150 25.310 84 2HG PRO 12 HG1 PRO 12 13.452 -1.063 24.882 85 1HD PRO 12 HD2 PRO 12 16.437 -1.255 24.780 86 2HD PRO 12 HD1 PRO 12 15.245 -2.469 25.291 87 H THR 13 HN THR 13 17.450 -1.752 22.385 88 HA THR 13 HA THR 13 18.532 0.575 21.144 89 HB THR 13 HB THR 13 20.677 -0.708 21.189 90 HG1 THR 13 HG1 THR 13 20.286 -2.793 21.053 91 1HG2 THR 13 1HG2 THR 13 19.753 0.541 23.208 92 2HG2 THR 13 3HG2 THR 13 19.325 -1.050 23.836 93 3HG2 THR 13 2HG2 THR 13 21.009 -0.663 23.491 94 H PHE 14 HN PHE 14 17.779 -2.696 20.045 95 HA PHE 14 HA PHE 14 19.002 -2.460 17.494 96 1HB PHE 14 HB2 PHE 14 16.728 -4.272 18.338 97 2HB PHE 14 HB1 PHE 14 17.735 -4.472 16.909 98 HD1 PHE 14 HD1 PHE 14 17.313 -5.319 20.319 99 HD2 PHE 14 HD2 PHE 14 20.273 -4.747 17.314 100 HE1 PHE 14 HE1 PHE 14 18.901 -6.661 21.633 101 HE2 PHE 14 HE2 PHE 14 21.865 -6.090 18.623 102 HZ PHE 14 HZ PHE 14 21.180 -7.049 20.786 103 H LEU 15 HN LEU 15 15.713 -1.887 18.685 104 HA LEU 15 HA LEU 15 14.508 -1.353 16.195 105 1HB LEU 15 HB2 LEU 15 13.334 -1.786 18.381 106 2HB LEU 15 HB1 LEU 15 13.741 -0.148 18.854 107 HG LEU 15 HG LEU 15 12.354 -0.359 16.267 108 1HD1 LEU 15 3HD1 LEU 15 11.209 -2.141 17.469 109 2HD1 LEU 15 2HD1 LEU 15 10.920 -1.052 18.827 110 3HD1 LEU 15 1HD1 LEU 15 10.158 -0.739 17.267 111 1HD2 LEU 15 2HD2 LEU 15 11.952 1.311 18.747 112 2HD2 LEU 15 1HD2 LEU 15 12.839 1.782 17.298 113 3HD2 LEU 15 3HD2 LEU 15 11.096 1.527 17.220 114 H THR 16 HN THR 16 15.685 0.930 18.684 115 HA THR 16 HA THR 16 15.322 3.274 17.215 116 HB THR 16 HB THR 16 15.794 3.114 19.672 117 HG1 THR 16 HG1 THR 16 15.947 5.145 19.072 118 1HG2 THR 16 3HG2 THR 16 17.742 1.639 19.616 119 2HG2 THR 16 2HG2 THR 16 18.669 2.904 18.811 120 3HG2 THR 16 1HG2 THR 16 18.079 3.153 20.455 121 H GLN 17 HN GLN 17 17.798 0.854 16.925 122 HA GLN 17 HA GLN 17 19.852 2.384 15.773 123 1HB GLN 17 HB2 GLN 17 19.222 -0.437 16.097 124 2HB GLN 17 HB1 GLN 17 20.011 -0.119 14.559 125 1HG GLN 17 HG2 GLN 17 21.911 0.807 15.626 126 2HG GLN 17 HG1 GLN 17 21.094 0.847 17.189 127 1HE2 GLN 17 1HE2 GLN 17 20.865 -1.056 18.366 128 2HE2 GLN 17 2HE2 GLN 17 21.759 -2.486 17.992 129 H VAL 18 HN VAL 18 16.942 0.981 14.406 130 HA VAL 18 HA VAL 18 17.160 0.765 11.791 131 HB VAL 18 HB VAL 18 15.007 0.740 12.977 132 1HG1 VAL 18 1HG1 VAL 18 15.441 2.981 14.122 133 2HG1 VAL 18 3HG1 VAL 18 14.862 3.718 12.626 134 3HG1 VAL 18 2HG1 VAL 18 13.801 2.661 13.557 135 1HG2 VAL 18 1HG2 VAL 18 15.223 0.867 10.465 136 2HG2 VAL 18 3HG2 VAL 18 13.669 1.370 11.132 137 3HG2 VAL 18 2HG2 VAL 18 14.836 2.583 10.605 138 H LYS 19 HN LYS 19 17.115 3.996 13.320 139 HA LYS 19 HA LYS 19 17.090 5.582 11.069 140 1HB LYS 19 HB2 LYS 19 18.097 5.909 13.835 141 2HB LYS 19 HB1 LYS 19 18.705 7.055 12.648 142 1HG LYS 19 HG2 LYS 19 15.770 6.540 12.874 143 2HG LYS 19 HG1 LYS 19 16.580 7.625 14.004 144 1HD LYS 19 HD2 LYS 19 15.980 9.129 12.390 145 2HD LYS 19 HD1 LYS 19 17.562 8.648 11.774 146 1HE LYS 19 HE2 LYS 19 15.522 6.848 10.831 147 2HE LYS 19 HE1 LYS 19 15.094 8.515 10.450 148 1HZ LYS 19 HZ1 LYS 19 17.752 7.352 9.836 149 2HZ LYS 19 HZ3 LYS 19 16.462 7.329 8.742 150 3HZ LYS 19 HZ2 LYS 19 17.100 8.805 9.265 151 H GLU 20 HN GLU 20 19.964 4.268 12.703 152 HA GLU 20 HA GLU 20 21.843 5.352 10.900 153 1HB GLU 20 HB2 GLU 20 22.093 2.870 12.610 154 2HB GLU 20 HB1 GLU 20 23.425 3.740 11.862 155 1HG GLU 20 HG2 GLU 20 23.589 4.727 13.861 156 2HG GLU 20 HG1 GLU 20 22.268 5.733 13.268 157 H SER 21 HN SER 21 19.891 2.474 10.850 158 HA SER 21 HA SER 21 21.248 1.030 8.845 159 1HB SER 21 HB2 SER 21 19.297 0.305 10.430 160 2HB SER 21 HB1 SER 21 18.261 0.903 9.133 161 HG SER 21 HG SER 21 18.877 -0.706 7.876 162 H LEU 22 HN LEU 22 18.844 3.599 8.705 163 HA LEU 22 HA LEU 22 18.313 3.383 5.915 164 1HB LEU 22 HB2 LEU 22 17.723 5.361 8.061 165 2HB LEU 22 HB1 LEU 22 17.611 5.907 6.399 166 HG LEU 22 HG LEU 22 16.120 3.722 6.155 167 1HD1 LEU 22 2HD1 LEU 22 15.952 4.434 9.075 168 2HD1 LEU 22 1HD1 LEU 22 14.705 3.525 8.220 169 3HD1 LEU 22 3HD1 LEU 22 16.335 2.867 8.360 170 1HD2 LEU 22 3HD2 LEU 22 15.456 6.054 5.693 171 2HD2 LEU 22 2HD2 LEU 22 14.168 5.112 6.446 172 3HD2 LEU 22 1HD2 LEU 22 15.095 6.265 7.407 173 H SER 23 HN SER 23 20.590 5.282 7.850 174 HA SER 23 HA SER 23 21.504 7.003 5.842 175 1HB SER 23 HB2 SER 23 23.119 5.875 8.144 176 2HB SER 23 HB1 SER 23 23.479 7.342 7.235 177 HG SER 23 HG SER 23 21.613 6.900 9.229 178 H SER 24 HN SER 24 22.902 3.915 6.945 179 HA SER 24 HA SER 24 24.872 3.764 4.925 180 1HB SER 24 HB2 SER 24 25.010 1.353 5.565 181 2HB SER 24 HB1 SER 24 25.093 2.444 6.946 182 HG SER 24 HG SER 24 23.205 1.743 7.635 183 H TYR 25 HN TYR 25 21.481 3.234 4.843 184 HA TYR 25 HA TYR 25 21.452 1.374 2.661 185 1HB TYR 25 HB2 TYR 25 19.604 1.884 4.454 186 2HB TYR 25 HB1 TYR 25 19.122 3.139 3.320 187 HD1 TYR 25 HD1 TYR 25 19.120 -0.405 4.040 188 HD2 TYR 25 HD2 TYR 25 18.389 2.502 1.021 189 HE1 TYR 25 HE1 TYR 25 17.855 -2.072 2.750 190 HE2 TYR 25 HE2 TYR 25 17.121 0.843 -0.278 191 HH TYR 25 HH TYR 25 17.300 -2.123 -0.149 192 H TRP 26 HN TRP 26 21.032 4.885 2.994 193 HA TRP 26 HA TRP 26 20.396 5.408 0.300 194 1HB TRP 26 HB2 TRP 26 20.303 6.936 2.456 195 2HB TRP 26 HB1 TRP 26 21.904 7.426 1.909 196 HD1 TRP 26 HD1 TRP 26 18.242 7.926 1.205 197 HE1 TRP 26 HE1 TRP 26 17.954 9.608 -0.720 198 HE3 TRP 26 HE3 TRP 26 23.102 8.215 -0.358 199 HZ2 TRP 26 HZ2 TRP 26 19.571 10.890 -2.646 200 HZ3 TRP 26 HZ3 TRP 26 23.646 9.692 -2.248 201 HH2 TRP 26 HH2 TRP 26 21.916 11.001 -3.368 202 H GLU 27 HN GLU 27 23.460 5.125 1.992 203 HA GLU 27 HA GLU 27 25.318 6.182 0.333 204 1HB GLU 27 HB2 GLU 27 25.950 5.051 2.377 205 2HB GLU 27 HB1 GLU 27 25.422 3.504 1.734 206 1HG GLU 27 HG2 GLU 27 27.524 4.979 0.246 207 2HG GLU 27 HG1 GLU 27 27.965 4.224 1.777 208 H SER 28 HN SER 28 24.113 2.848 0.035 209 HA SER 28 HA SER 28 25.152 2.651 -2.669 210 1HB SER 28 HB2 SER 28 24.308 0.304 -2.538 211 2HB SER 28 HB1 SER 28 25.431 0.714 -1.242 212 HG SER 28 HG SER 28 23.868 0.537 0.185 213 H ALA 29 HN ALA 29 22.215 3.565 -1.154 214 HA ALA 29 HA ALA 29 20.315 2.641 -3.010 215 1HB ALA 29 HB3 ALA 29 19.774 3.630 -0.801 216 2HB ALA 29 HB2 ALA 29 20.172 5.217 -1.458 217 3HB ALA 29 HB1 ALA 29 18.825 4.300 -2.127 218 H LYS 30 HN LYS 30 22.371 5.522 -3.044 219 HA LYS 30 HA LYS 30 21.187 6.947 -5.093 220 1HB LYS 30 HB2 LYS 30 23.251 7.503 -3.593 221 2HB LYS 30 HB1 LYS 30 24.174 6.792 -4.910 222 1HG LYS 30 HG2 LYS 30 22.837 8.433 -6.402 223 2HG LYS 30 HG1 LYS 30 22.520 9.280 -4.887 224 1HD LYS 30 HD2 LYS 30 24.965 9.375 -4.484 225 2HD LYS 30 HD1 LYS 30 25.223 8.634 -6.065 226 1HE LYS 30 HE2 LYS 30 24.114 10.523 -7.140 227 2HE LYS 30 HE1 LYS 30 23.817 11.257 -5.565 228 1HZ LYS 30 HZ2 LYS 30 26.218 11.403 -5.239 229 2HZ LYS 30 HZ1 LYS 30 26.483 10.733 -6.769 230 3HZ LYS 30 HZ3 LYS 30 25.735 12.245 -6.625 231 H THR 31 HN THR 31 23.912 4.682 -5.492 232 HA THR 31 HA THR 31 24.069 4.662 -8.242 233 HB THR 31 HB THR 31 24.940 2.318 -8.024 234 HG1 THR 31 HG1 THR 31 23.985 1.366 -6.374 235 1HG2 THR 31 1HG2 THR 31 26.413 4.282 -7.633 236 2HG2 THR 31 3HG2 THR 31 26.081 4.120 -5.909 237 3HG2 THR 31 2HG2 THR 31 26.898 2.820 -6.774 238 H ALA 32 HN ALA 32 21.815 3.003 -6.129 239 HA ALA 32 HA ALA 32 20.604 1.336 -8.059 240 1HB ALA 32 HB3 ALA 32 18.940 2.437 -5.859 241 2HB ALA 32 HB2 ALA 32 19.108 0.777 -6.431 242 3HB ALA 32 HB1 ALA 32 20.360 1.491 -5.415 243 H ALA 33 HN ALA 33 19.875 4.642 -6.958 244 HA ALA 33 HA ALA 33 17.538 5.136 -8.335 245 1HB ALA 33 HB3 ALA 33 18.775 6.676 -6.733 246 2HB ALA 33 HB2 ALA 33 19.723 7.189 -8.129 247 3HB ALA 33 HB1 ALA 33 17.977 7.440 -8.108 248 H GLN 34 HN GLN 34 20.838 5.688 -9.555 249 HA GLN 34 HA GLN 34 20.018 6.409 -12.163 250 1HB GLN 34 HB2 GLN 34 22.647 5.262 -11.192 251 2HB GLN 34 HB1 GLN 34 22.385 5.934 -12.795 252 1HG GLN 34 HG2 GLN 34 22.776 7.981 -12.061 253 2HG GLN 34 HG1 GLN 34 21.546 7.819 -10.808 254 1HE2 GLN 34 1HE2 GLN 34 22.181 7.689 -8.744 255 2HE2 GLN 34 2HE2 GLN 34 23.817 7.519 -8.217 256 H ASN 35 HN ASN 35 20.828 3.349 -10.625 257 HA ASN 35 HA ASN 35 20.857 1.746 -12.943 258 1HB ASN 35 HB2 ASN 35 21.594 1.165 -10.516 259 2HB ASN 35 HB1 ASN 35 19.910 0.702 -10.290 260 1HD2 ASN 35 1HD2 ASN 35 22.878 0.000 -11.986 261 2HD2 ASN 35 2HD2 ASN 35 22.435 -1.589 -12.501 262 H LEU 36 HN LEU 36 18.260 3.069 -11.085 263 HA LEU 36 HA LEU 36 16.147 1.388 -11.815 264 1HB LEU 36 HB2 LEU 36 16.176 3.397 -10.170 265 2HB LEU 36 HB1 LEU 36 15.856 4.377 -11.589 266 HG LEU 36 HG LEU 36 13.861 2.695 -11.929 267 1HD1 LEU 36 2HD1 LEU 36 14.394 2.499 -8.969 268 2HD1 LEU 36 1HD1 LEU 36 12.913 1.978 -9.773 269 3HD1 LEU 36 3HD1 LEU 36 14.444 1.178 -10.137 270 1HD2 LEU 36 3HD2 LEU 36 13.651 5.104 -11.566 271 2HD2 LEU 36 2HD2 LEU 36 12.421 4.209 -10.673 272 3HD2 LEU 36 1HD2 LEU 36 13.827 4.860 -9.829 273 H TYR 37 HN TYR 37 17.514 4.273 -13.301 274 HA TYR 37 HA TYR 37 15.887 4.287 -15.625 275 1HB TYR 37 HB2 TYR 37 18.478 5.565 -14.841 276 2HB TYR 37 HB1 TYR 37 18.023 5.563 -16.541 277 HD1 TYR 37 HD1 TYR 37 17.242 6.883 -13.218 278 HD2 TYR 37 HD2 TYR 37 16.100 6.845 -17.317 279 HE1 TYR 37 HE1 TYR 37 15.824 8.855 -12.835 280 HE2 TYR 37 HE2 TYR 37 14.680 8.819 -16.946 281 HH TYR 37 HH TYR 37 14.873 10.858 -14.846 282 H GLU 38 HN GLU 38 18.910 2.696 -14.758 283 HA GLU 38 HA GLU 38 19.687 1.793 -17.296 284 1HB GLU 38 HB2 GLU 38 21.177 1.656 -15.375 285 2HB GLU 38 HB1 GLU 38 20.115 0.488 -14.606 286 1HG GLU 38 HG2 GLU 38 21.184 -0.169 -17.294 287 2HG GLU 38 HG1 GLU 38 22.287 -0.235 -15.920 288 H LYS 39 HN LYS 39 18.008 -0.120 -14.817 289 HA LYS 39 HA LYS 39 17.400 -2.273 -16.503 290 1HB LYS 39 HB2 LYS 39 15.883 -3.013 -14.740 291 2HB LYS 39 HB1 LYS 39 17.412 -2.464 -14.070 292 1HG LYS 39 HG2 LYS 39 16.153 -1.311 -12.638 293 2HG LYS 39 HG1 LYS 39 15.912 -0.188 -13.975 294 1HD LYS 39 HD2 LYS 39 13.960 -1.818 -14.599 295 2HD LYS 39 HD1 LYS 39 14.079 -2.290 -12.904 296 1HE LYS 39 HE2 LYS 39 12.566 -0.600 -12.705 297 2HE LYS 39 HE1 LYS 39 14.052 0.336 -12.555 298 1HZ LYS 39 HZ3 LYS 39 12.622 -0.066 -15.123 299 2HZ LYS 39 HZ2 LYS 39 12.381 1.274 -14.120 300 3HZ LYS 39 HZ1 LYS 39 13.899 1.002 -14.815 301 H THR 40 HN THR 40 16.073 0.834 -16.600 302 HA THR 40 HA THR 40 13.363 0.246 -17.150 303 HB THR 40 HB THR 40 15.050 2.563 -18.120 304 HG1 THR 40 HG1 THR 40 14.203 3.631 -16.348 305 1HG2 THR 40 1HG2 THR 40 12.062 2.237 -18.051 306 2HG2 THR 40 3HG2 THR 40 12.893 3.778 -18.264 307 3HG2 THR 40 2HG2 THR 40 13.082 2.501 -19.467 308 H TYR 41 HN TYR 41 16.109 0.831 -19.301 309 HA TYR 41 HA TYR 41 14.746 0.225 -21.705 310 1HB TYR 41 HB2 TYR 41 16.852 1.535 -21.596 311 2HB TYR 41 HB1 TYR 41 17.717 0.069 -21.148 312 HD1 TYR 41 HD1 TYR 41 15.782 1.679 -23.865 313 HD2 TYR 41 HD2 TYR 41 18.428 -1.476 -22.796 314 HE1 TYR 41 HE1 TYR 41 16.114 1.159 -26.245 315 HE2 TYR 41 HE2 TYR 41 18.768 -2.004 -25.173 316 HH TYR 41 HH TYR 41 18.368 -0.212 -27.533 317 H LEU 42 HN LEU 42 16.873 -1.721 -19.612 318 HA LEU 42 HA LEU 42 16.853 -4.046 -21.205 319 1HB LEU 42 HB2 LEU 42 17.559 -3.414 -18.384 320 2HB LEU 42 HB1 LEU 42 17.333 -5.101 -18.810 321 HG LEU 42 HG LEU 42 19.023 -4.686 -20.689 322 1HD1 LEU 42 2HD1 LEU 42 19.262 -2.149 -19.121 323 2HD1 LEU 42 1HD1 LEU 42 20.660 -2.826 -19.957 324 3HD1 LEU 42 3HD1 LEU 42 19.216 -2.384 -20.868 325 1HD2 LEU 42 2HD2 LEU 42 19.741 -4.656 -17.769 326 2HD2 LEU 42 1HD2 LEU 42 19.675 -6.034 -18.869 327 3HD2 LEU 42 3HD2 LEU 42 20.948 -4.826 -19.044 328 HA PRO 43 HA PRO 43 12.855 -5.676 -20.117 329 1HB PRO 43 HB2 PRO 43 12.957 -7.915 -21.573 330 2HB PRO 43 HB1 PRO 43 12.912 -6.322 -22.334 331 1HG PRO 43 HG2 PRO 43 15.179 -8.209 -22.037 332 2HG PRO 43 HG1 PRO 43 14.866 -7.017 -23.307 333 1HD PRO 43 HD2 PRO 43 16.597 -6.741 -21.066 334 2HD PRO 43 HD1 PRO 43 16.167 -5.496 -22.255 335 H ALA 44 HN ALA 44 15.326 -6.387 -18.376 336 HA ALA 44 HA ALA 44 15.120 -9.100 -17.616 337 1HB ALA 44 HB3 ALA 44 16.141 -6.763 -16.009 338 2HB ALA 44 HB2 ALA 44 16.437 -8.468 -15.670 339 3HB ALA 44 HB1 ALA 44 17.089 -7.735 -17.135 340 H VAL 45 HN VAL 45 13.074 -6.439 -16.977 341 HA VAL 45 HA VAL 45 12.100 -6.791 -14.455 342 HB VAL 45 HB VAL 45 9.885 -5.972 -15.312 343 1HG1 VAL 45 1HG1 VAL 45 11.710 -4.471 -14.602 344 2HG1 VAL 45 3HG1 VAL 45 12.288 -4.419 -16.267 345 3HG1 VAL 45 2HG1 VAL 45 10.700 -3.766 -15.863 346 1HG2 VAL 45 3HG2 VAL 45 11.300 -6.269 -17.948 347 2HG2 VAL 45 2HG2 VAL 45 9.706 -6.859 -17.479 348 3HG2 VAL 45 1HG2 VAL 45 9.971 -5.132 -17.721 349 H ASP 46 HN ASP 46 11.023 -8.556 -17.358 350 HA ASP 46 HA ASP 46 9.117 -10.132 -15.934 351 1HB ASP 46 HB2 ASP 46 9.100 -9.604 -18.427 352 2HB ASP 46 HB1 ASP 46 10.353 -10.830 -18.597 353 H GLU 47 HN GLU 47 12.511 -10.526 -16.787 354 HA GLU 47 HA GLU 47 12.687 -13.309 -16.218 355 1HB GLU 47 HB2 GLU 47 14.345 -11.794 -17.500 356 2HB GLU 47 HB1 GLU 47 14.979 -11.381 -15.914 357 1HG GLU 47 HG2 GLU 47 14.761 -14.202 -16.931 358 2HG GLU 47 HG1 GLU 47 16.195 -13.200 -17.130 359 H LYS 48 HN LYS 48 13.479 -10.425 -14.287 360 HA LYS 48 HA LYS 48 14.402 -11.662 -11.986 361 1HB LYS 48 HB2 LYS 48 12.870 -9.079 -12.302 362 2HB LYS 48 HB1 LYS 48 13.647 -9.576 -10.806 363 1HG LYS 48 HG2 LYS 48 15.290 -9.504 -13.279 364 2HG LYS 48 HG1 LYS 48 14.836 -7.975 -12.528 365 1HD LYS 48 HD2 LYS 48 16.433 -8.231 -11.003 366 2HD LYS 48 HD1 LYS 48 15.714 -9.756 -10.485 367 1HE LYS 48 HE2 LYS 48 17.425 -9.654 -12.937 368 2HE LYS 48 HE1 LYS 48 18.171 -9.708 -11.341 369 1HZ LYS 48 HZ3 LYS 48 16.716 -11.719 -10.938 370 2HZ LYS 48 HZ2 LYS 48 16.411 -11.726 -12.602 371 3HZ LYS 48 HZ1 LYS 48 17.991 -11.923 -12.032 372 H LEU 49 HN LEU 49 11.128 -11.425 -13.156 373 HA LEU 49 HA LEU 49 9.754 -11.808 -10.723 374 1HB LEU 49 HB2 LEU 49 9.106 -11.747 -13.530 375 2HB LEU 49 HB1 LEU 49 8.293 -13.099 -12.767 376 HG LEU 49 HG LEU 49 6.821 -11.202 -12.762 377 1HD1 LEU 49 1HD1 LEU 49 7.079 -12.728 -10.699 378 2HD1 LEU 49 3HD1 LEU 49 7.816 -11.315 -9.942 379 3HD1 LEU 49 2HD1 LEU 49 6.159 -11.232 -10.540 380 1HD2 LEU 49 1HD2 LEU 49 8.513 -9.447 -12.969 381 2HD2 LEU 49 3HD2 LEU 49 7.387 -9.107 -11.654 382 3HD2 LEU 49 2HD2 LEU 49 9.001 -9.720 -11.297 383 H ARG 50 HN ARG 50 10.326 -14.201 -13.313 384 HA ARG 50 HA ARG 50 9.773 -16.446 -11.692 385 1HB ARG 50 HB2 ARG 50 11.493 -16.342 -14.180 386 2HB ARG 50 HB1 ARG 50 10.746 -17.776 -13.490 387 1HG ARG 50 HG2 ARG 50 9.351 -15.434 -14.766 388 2HG ARG 50 HG1 ARG 50 9.475 -17.079 -15.390 389 1HD ARG 50 HD2 ARG 50 7.493 -17.430 -14.420 390 2HD ARG 50 HD1 ARG 50 8.379 -17.450 -12.895 391 HE ARG 50 HE ARG 50 7.568 -14.823 -13.763 392 1HH1 ARG 50 1HH1 ARG 50 6.633 -17.667 -11.944 393 2HH1 ARG 50 2HH1 ARG 50 5.480 -16.816 -10.974 394 1HH2 ARG 50 1HH2 ARG 50 6.048 -13.710 -12.481 395 2HH2 ARG 50 2HH2 ARG 50 5.147 -14.571 -11.278 396 H ASP 51 HN ASP 51 12.667 -14.567 -12.284 397 HA ASP 51 HA ASP 51 14.633 -16.326 -11.394 398 1HB ASP 51 HB2 ASP 51 14.885 -13.982 -12.443 399 2HB ASP 51 HB1 ASP 51 14.725 -13.376 -10.798 400 H LEU 52 HN LEU 52 12.976 -13.808 -9.486 401 HA LEU 52 HA LEU 52 14.055 -14.678 -7.007 402 1HB LEU 52 HB2 LEU 52 11.655 -12.948 -7.608 403 2HB LEU 52 HB1 LEU 52 12.338 -13.180 -6.009 404 HG LEU 52 HG LEU 52 14.067 -12.130 -8.219 405 1HD1 LEU 52 1HD1 LEU 52 12.028 -10.761 -8.240 406 2HD1 LEU 52 3HD1 LEU 52 12.233 -10.450 -6.516 407 3HD1 LEU 52 2HD1 LEU 52 13.432 -9.860 -7.668 408 1HD2 LEU 52 2HD2 LEU 52 15.105 -12.781 -6.110 409 2HD2 LEU 52 1HD2 LEU 52 15.204 -11.037 -6.352 410 3HD2 LEU 52 3HD2 LEU 52 14.017 -11.706 -5.232 411 H TYR 53 HN TYR 53 11.322 -15.686 -8.894 412 HA TYR 53 HA TYR 53 9.773 -16.827 -6.809 413 1HB TYR 53 HB2 TYR 53 9.691 -16.717 -9.709 414 2HB TYR 53 HB1 TYR 53 9.255 -18.318 -9.121 415 HD1 TYR 53 HD1 TYR 53 8.174 -14.918 -9.564 416 HD2 TYR 53 HD2 TYR 53 7.373 -18.517 -7.442 417 HE1 TYR 53 HE1 TYR 53 5.913 -14.103 -9.050 418 HE2 TYR 53 HE2 TYR 53 5.109 -17.712 -6.922 419 HH TYR 53 HH TYR 53 4.134 -14.858 -6.877 420 H SER 54 HN SER 54 12.250 -18.146 -8.986 421 HA SER 54 HA SER 54 12.093 -20.826 -8.157 422 1HB SER 54 HB2 SER 54 14.507 -19.315 -9.195 423 2HB SER 54 HB1 SER 54 14.341 -21.069 -9.130 424 HG SER 54 HG SER 54 13.222 -19.240 -10.882 425 H LYS 55 HN LYS 55 14.198 -18.178 -7.037 426 HA LYS 55 HA LYS 55 15.606 -19.654 -5.101 427 1HB LYS 55 HB2 LYS 55 15.742 -17.095 -6.069 428 2HB LYS 55 HB1 LYS 55 15.124 -16.826 -4.446 429 1HG LYS 55 HG2 LYS 55 17.392 -16.702 -4.112 430 2HG LYS 55 HG1 LYS 55 17.070 -18.395 -3.730 431 1HD LYS 55 HD2 LYS 55 18.930 -18.526 -5.112 432 2HD LYS 55 HD1 LYS 55 17.594 -18.815 -6.229 433 1HE LYS 55 HE2 LYS 55 17.654 -16.351 -6.756 434 2HE LYS 55 HE1 LYS 55 19.155 -16.269 -5.835 435 1HZ LYS 55 HZ3 LYS 55 20.125 -17.888 -7.353 436 2HZ LYS 55 HZ2 LYS 55 18.685 -17.948 -8.241 437 3HZ LYS 55 HZ1 LYS 55 19.589 -16.520 -8.192 438 H SER 56 HN SER 56 12.671 -17.667 -4.849 439 HA SER 56 HA SER 56 12.292 -17.929 -2.078 440 1HB SER 56 HB2 SER 56 10.403 -17.320 -4.343 441 2HB SER 56 HB1 SER 56 9.859 -17.380 -2.666 442 HG SER 56 HG SER 56 11.534 -15.544 -3.938 443 H THR 57 HN THR 57 11.824 -20.300 -4.551 444 HA THR 57 HA THR 57 9.683 -21.761 -3.527 445 HB THR 57 HB THR 57 12.126 -22.886 -4.912 446 HG1 THR 57 HG1 THR 57 9.767 -21.727 -5.976 447 1HG2 THR 57 1HG2 THR 57 9.301 -23.901 -4.732 448 2HG2 THR 57 3HG2 THR 57 10.527 -24.530 -5.834 449 3HG2 THR 57 2HG2 THR 57 10.755 -24.665 -4.090 450 H ALA 58 HN ALA 58 13.174 -22.305 -2.971 451 HA ALA 58 HA ALA 58 12.572 -24.106 -0.769 452 1HB ALA 58 HB1 ALA 58 14.353 -24.698 -2.326 453 2HB ALA 58 HB3 ALA 58 15.230 -23.230 -1.894 454 3HB ALA 58 HB2 ALA 58 14.982 -24.496 -0.691 455 H ALA 59 HN ALA 59 14.098 -20.938 -1.259 456 HA ALA 59 HA ALA 59 14.946 -20.516 1.386 457 1HB ALA 59 HB1 ALA 59 15.110 -18.155 0.774 458 2HB ALA 59 HB2 ALA 59 14.187 -18.470 -0.695 459 3HB ALA 59 HB3 ALA 59 15.780 -19.197 -0.480 460 H MET 60 HN MET 60 12.096 -19.065 -0.225 461 HA MET 60 HA MET 60 11.001 -17.975 2.117 462 1HB MET 60 HB2 MET 60 10.431 -17.746 -0.518 463 2HB MET 60 HB1 MET 60 9.088 -18.752 0.007 464 1HG MET 60 HG2 MET 60 8.201 -16.673 0.296 465 2HG MET 60 HG1 MET 60 8.875 -16.961 1.898 466 1HE MET 60 HE2 MET 60 11.407 -16.099 2.536 467 2HE MET 60 HE1 MET 60 11.470 -14.342 2.401 468 3HE MET 60 HE3 MET 60 10.041 -15.123 3.078 469 H SER 61 HN SER 61 11.009 -21.251 1.045 470 HA SER 61 HA SER 61 8.582 -22.117 2.220 471 1HB SER 61 HB2 SER 61 9.931 -23.395 0.523 472 2HB SER 61 HB1 SER 61 11.071 -23.785 1.810 473 HG SER 61 HG SER 61 8.499 -24.731 1.355 474 H THR 62 HN THR 62 11.556 -21.171 3.636 475 HA THR 62 HA THR 62 11.012 -22.647 6.109 476 HB THR 62 HB THR 62 13.244 -21.881 6.830 477 HG1 THR 62 HG1 THR 62 13.864 -20.108 5.888 478 1HG2 THR 62 2HG2 THR 62 13.073 -23.968 5.517 479 2HG2 THR 62 1HG2 THR 62 13.408 -23.033 4.059 480 3HG2 THR 62 3HG2 THR 62 14.620 -23.139 5.336 481 H TYR 63 HN TYR 63 11.671 -19.328 5.000 482 HA TYR 63 HA TYR 63 11.099 -18.064 7.442 483 1HB TYR 63 HB2 TYR 63 10.919 -16.900 4.656 484 2HB TYR 63 HB1 TYR 63 11.059 -15.994 6.157 485 HD1 TYR 63 HD1 TYR 63 13.188 -16.491 7.590 486 HD2 TYR 63 HD2 TYR 63 12.833 -17.412 3.451 487 HE1 TYR 63 HE1 TYR 63 15.639 -16.556 7.400 488 HE2 TYR 63 HE2 TYR 63 15.282 -17.481 3.250 489 HH TYR 63 HH TYR 63 17.296 -17.937 5.428 490 H THR 64 HN THR 64 9.055 -19.381 4.975 491 HA THR 64 HA THR 64 6.789 -17.744 5.506 492 HB THR 64 HB THR 64 7.199 -20.351 4.083 493 HG1 THR 64 HG1 THR 64 7.505 -18.694 2.746 494 1HG2 THR 64 1HG2 THR 64 4.537 -19.194 4.837 495 2HG2 THR 64 3HG2 THR 64 4.761 -20.218 3.419 496 3HG2 THR 64 2HG2 THR 64 5.112 -20.851 5.026 497 H GLY 65 HN GLY 65 7.488 -21.117 6.410 498 1HA GLY 65 HA1 GLY 65 6.788 -22.354 8.219 499 2HA GLY 65 HA2 GLY 65 5.357 -21.330 8.254 500 H ILE 66 HN ILE 66 8.720 -20.316 8.571 501 HA ILE 66 HA ILE 66 8.793 -20.118 11.391 502 HB ILE 66 HB ILE 66 10.439 -18.804 9.234 503 1HG1 ILE 66 2HG1 ILE 66 10.723 -21.240 9.639 504 2HG1 ILE 66 1HG1 ILE 66 12.179 -20.317 9.993 505 1HG2 ILE 66 1HG2 ILE 66 10.557 -18.391 12.201 506 2HG2 ILE 66 3HG2 ILE 66 11.996 -18.224 11.195 507 3HG2 ILE 66 2HG2 ILE 66 10.597 -17.191 10.908 508 1HD1 ILE 66 1HD1 ILE 66 11.649 -20.423 12.381 509 2HD1 ILE 66 3HD1 ILE 66 10.212 -21.375 12.010 510 3HD1 ILE 66 2HD1 ILE 66 11.813 -22.025 11.664 511 H PHE 67 HN PHE 67 8.505 -17.536 8.938 512 HA PHE 67 HA PHE 67 8.003 -15.400 10.624 513 1HB PHE 67 HB2 PHE 67 8.370 -15.138 8.211 514 2HB PHE 67 HB1 PHE 67 6.801 -15.865 7.885 515 HD1 PHE 67 HD1 PHE 67 4.800 -14.601 8.042 516 HD2 PHE 67 HD2 PHE 67 8.504 -12.917 9.294 517 HE1 PHE 67 HE1 PHE 67 3.746 -12.381 8.165 518 HE2 PHE 67 HE2 PHE 67 7.456 -10.695 9.419 519 HZ PHE 67 HZ PHE 67 5.074 -10.426 8.855 520 H THR 68 HN THR 68 5.551 -17.424 9.016 521 HA THR 68 HA THR 68 3.345 -16.276 10.330 522 HB THR 68 HB THR 68 3.509 -19.051 9.154 523 HG1 THR 68 HG1 THR 68 2.988 -16.558 7.905 524 1HG2 THR 68 1HG2 THR 68 1.219 -17.230 9.775 525 2HG2 THR 68 3HG2 THR 68 1.103 -18.463 8.520 526 3HG2 THR 68 2HG2 THR 68 1.434 -18.931 10.188 527 H ASP 69 HN ASP 69 5.655 -18.580 11.396 528 HA ASP 69 HA ASP 69 4.163 -20.059 13.248 529 1HB ASP 69 HB2 ASP 69 6.844 -19.904 12.551 530 2HB ASP 69 HB1 ASP 69 6.830 -19.382 14.233 531 H GLN 70 HN GLN 70 6.089 -17.110 13.828 532 HA GLN 70 HA GLN 70 5.124 -16.738 16.479 533 1HB GLN 70 HB2 GLN 70 6.556 -14.889 14.570 534 2HB GLN 70 HB1 GLN 70 6.150 -14.442 16.222 535 1HG GLN 70 HG2 GLN 70 7.596 -16.069 17.124 536 2HG GLN 70 HG1 GLN 70 7.787 -16.871 15.566 537 1HE2 GLN 70 1HE2 GLN 70 8.717 -14.161 17.535 538 2HE2 GLN 70 2HE2 GLN 70 10.043 -13.645 16.555 539 H VAL 71 HN VAL 71 3.917 -15.843 13.358 540 HA VAL 71 HA VAL 71 2.249 -13.682 14.148 541 HB VAL 71 HB VAL 71 2.008 -15.553 11.777 542 1HG1 VAL 71 2HG1 VAL 71 0.518 -13.037 12.476 543 2HG1 VAL 71 1HG1 VAL 71 0.623 -13.655 10.828 544 3HG1 VAL 71 3HG1 VAL 71 -0.140 -14.627 12.087 545 1HG2 VAL 71 3HG2 VAL 71 4.024 -13.869 12.171 546 2HG2 VAL 71 2HG2 VAL 71 3.325 -14.135 10.573 547 3HG2 VAL 71 1HG2 VAL 71 2.856 -12.720 11.516 548 H LEU 72 HN LEU 72 1.616 -17.109 13.480 549 HA LEU 72 HA LEU 72 -1.065 -17.176 14.282 550 1HB LEU 72 HB2 LEU 72 1.002 -19.088 13.619 551 2HB LEU 72 HB1 LEU 72 0.085 -19.644 15.007 552 HG LEU 72 HG LEU 72 -1.998 -19.121 13.539 553 1HD1 LEU 72 2HD1 LEU 72 -0.579 -17.976 11.794 554 2HD1 LEU 72 1HD1 LEU 72 0.009 -19.577 11.349 555 3HD1 LEU 72 3HD1 LEU 72 -1.705 -19.194 11.196 556 1HD2 LEU 72 1HD2 LEU 72 -1.315 -21.354 14.264 557 2HD2 LEU 72 3HD2 LEU 72 -1.921 -21.372 12.608 558 3HD2 LEU 72 2HD2 LEU 72 -0.186 -21.449 12.912 559 H SER 73 HN SER 73 1.967 -17.342 16.034 560 HA SER 73 HA SER 73 1.018 -18.175 18.526 561 1HB SER 73 HB2 SER 73 3.465 -17.774 17.667 562 2HB SER 73 HB1 SER 73 3.231 -16.162 18.343 563 HG SER 73 HG SER 73 3.216 -16.971 20.315 564 H VAL 74 HN VAL 74 1.183 -14.929 17.123 565 HA VAL 74 HA VAL 74 0.282 -13.639 19.512 566 HB VAL 74 HB VAL 74 0.091 -11.622 18.273 567 1HG1 VAL 74 2HG1 VAL 74 2.408 -12.953 18.488 568 2HG1 VAL 74 1HG1 VAL 74 2.350 -12.736 16.739 569 3HG1 VAL 74 3HG1 VAL 74 2.276 -11.333 17.804 570 1HG2 VAL 74 1HG2 VAL 74 -0.913 -13.132 16.220 571 2HG2 VAL 74 3HG2 VAL 74 -0.496 -11.422 16.124 572 3HG2 VAL 74 2HG2 VAL 74 0.661 -12.643 15.595 573 H LEU 75 HN LEU 75 -1.307 -15.467 17.106 574 HA LEU 75 HA LEU 75 -3.851 -14.228 17.127 575 1HB LEU 75 HB2 LEU 75 -2.688 -16.404 15.832 576 2HB LEU 75 HB1 LEU 75 -3.960 -17.113 16.804 577 HG LEU 75 HG LEU 75 -5.073 -16.730 14.833 578 1HD1 LEU 75 3HD1 LEU 75 -6.161 -15.511 16.743 579 2HD1 LEU 75 2HD1 LEU 75 -5.457 -14.028 16.099 580 3HD1 LEU 75 1HD1 LEU 75 -6.607 -14.951 15.132 581 1HD2 LEU 75 2HD2 LEU 75 -3.116 -14.541 14.503 582 2HD2 LEU 75 1HD2 LEU 75 -3.694 -15.738 13.343 583 3HD2 LEU 75 3HD2 LEU 75 -4.683 -14.327 13.722 584 H LYS 76 HN LYS 76 -2.333 -16.670 19.103 585 HA LYS 76 HA LYS 76 -4.640 -17.344 20.635 586 1HB LYS 76 HB2 LYS 76 -1.710 -17.723 21.284 587 2HB LYS 76 HB1 LYS 76 -3.048 -18.475 22.141 588 1HG LYS 76 HG2 LYS 76 -2.882 -20.185 20.745 589 2HG LYS 76 HG1 LYS 76 -3.449 -19.122 19.456 590 1HD LYS 76 HD2 LYS 76 -1.059 -18.424 19.117 591 2HD LYS 76 HD1 LYS 76 -0.598 -19.703 20.241 592 1HE LYS 76 HE2 LYS 76 -1.844 -21.303 18.734 593 2HE LYS 76 HE1 LYS 76 -1.951 -19.985 17.567 594 1HZ LYS 76 HZ1 LYS 76 0.585 -21.076 18.666 595 2HZ LYS 76 HZ3 LYS 76 -0.062 -21.468 17.152 596 3HZ LYS 76 HZ2 LYS 76 0.440 -19.886 17.473 597 H GLY 77 HN GLY 77 -1.811 -15.264 21.284 598 1HA GLY 77 HA1 GLY 77 -1.513 -13.529 22.755 599 2HA GLY 77 HA2 GLY 77 -2.501 -14.462 23.870 600 H GLU 78 HN GLU 78 -3.079 -12.677 20.833 601 HA GLU 78 HA GLU 78 -5.529 -11.581 21.998 602 1HB GLU 78 HB2 GLU 78 -3.155 -10.010 21.078 603 2HB GLU 78 HB1 GLU 78 -4.764 -9.343 20.837 604 1HG GLU 78 HG2 GLU 78 -4.973 -10.012 23.411 605 2HG GLU 78 HG1 GLU 78 -3.230 -9.760 23.327 606 H GLU 79 HN GLU 79 -3.575 -11.045 19.053 607 HA GLU 79 HA GLU 79 -5.367 -12.460 17.357 608 1HB GLU 79 HB2 GLU 79 -6.275 -9.935 18.003 609 2HB GLU 79 HB1 GLU 79 -5.442 -9.666 16.478 610 1HG GLU 79 HG2 GLU 79 -7.667 -10.109 15.906 611 2HG GLU 79 HG1 GLU 79 -6.791 -11.598 15.555 No H/Q in entry = 611 Start of MODEL 23 1 H1 THR 1 HT1 THR 1 23.230 -4.956 18.499 2 H2 THR 1 HT3 THR 1 22.649 -6.418 19.179 3 H3 THR 1 HT2 THR 1 24.239 -6.342 18.539 4 HA THR 1 HA THR 1 23.506 -6.204 16.381 5 HB THR 1 HB THR 1 21.890 -8.177 16.263 6 HG1 THR 1 HG1 THR 1 20.784 -8.367 18.045 7 1HG2 THR 1 1HG2 THR 1 24.494 -8.264 17.699 8 2HG2 THR 1 3HG2 THR 1 23.511 -9.724 17.584 9 3HG2 THR 1 2HG2 THR 1 24.052 -8.908 16.117 10 H GLN 2 HN GLN 2 21.749 -6.089 14.814 11 HA GLN 2 HA GLN 2 19.192 -5.061 15.677 12 1HB GLN 2 HB2 GLN 2 19.414 -2.966 14.315 13 2HB GLN 2 HB1 GLN 2 20.401 -2.999 15.768 14 1HG GLN 2 HG2 GLN 2 21.564 -3.837 13.148 15 2HG GLN 2 HG1 GLN 2 21.401 -2.128 13.544 16 1HE2 GLN 2 1HE2 GLN 2 23.428 -4.728 13.674 17 2HE2 GLN 2 2HE2 GLN 2 24.495 -4.194 14.924 18 H GLN 3 HN GLN 3 19.765 -7.389 14.336 19 HA GLN 3 HA GLN 3 18.881 -6.831 11.579 20 1HB GLN 3 HB2 GLN 3 20.275 -9.334 12.534 21 2HB GLN 3 HB1 GLN 3 19.936 -8.871 10.874 22 1HG GLN 3 HG2 GLN 3 21.870 -7.538 12.754 23 2HG GLN 3 HG1 GLN 3 22.269 -8.544 11.363 24 1HE2 GLN 3 1HE2 GLN 3 21.128 -7.711 9.277 25 2HE2 GLN 3 2HE2 GLN 3 21.293 -6.016 8.991 26 HA PRO 4 HA PRO 4 15.042 -8.881 12.326 27 1HB PRO 4 HB2 PRO 4 14.715 -10.212 9.941 28 2HB PRO 4 HB1 PRO 4 14.381 -8.494 10.176 29 1HG PRO 4 HG2 PRO 4 16.805 -9.812 9.020 30 2HG PRO 4 HG1 PRO 4 15.951 -8.357 8.471 31 1HD PRO 4 HD2 PRO 4 18.237 -8.202 9.868 32 2HD PRO 4 HD1 PRO 4 16.932 -7.020 10.092 33 H GLN 5 HN GLN 5 17.815 -10.752 11.258 34 HA GLN 5 HA GLN 5 16.687 -13.325 11.762 35 1HB GLN 5 HB2 GLN 5 18.648 -12.818 10.244 36 2HB GLN 5 HB1 GLN 5 19.618 -12.593 11.691 37 1HG GLN 5 HG2 GLN 5 18.114 -15.130 11.462 38 2HG GLN 5 HG1 GLN 5 19.483 -14.902 10.375 39 1HE2 GLN 5 1HE2 GLN 5 18.984 -16.681 12.751 40 2HE2 GLN 5 2HE2 GLN 5 20.353 -16.426 13.774 41 H GLN 6 HN GLN 6 17.318 -14.794 13.457 42 HA GLN 6 HA GLN 6 17.185 -13.647 16.047 43 1HB GLN 6 HB2 GLN 6 17.684 -16.455 15.068 44 2HB GLN 6 HB1 GLN 6 17.644 -16.052 16.778 45 1HG GLN 6 HG2 GLN 6 15.381 -15.457 14.893 46 2HG GLN 6 HG1 GLN 6 15.512 -16.956 15.809 47 1HE2 GLN 6 1HE2 GLN 6 15.377 -16.869 18.096 48 2HE2 GLN 6 2HE2 GLN 6 14.606 -15.542 18.887 49 H ASP 7 HN ASP 7 19.074 -12.221 16.078 50 HA ASP 7 HA ASP 7 21.716 -13.246 15.813 51 1HB ASP 7 HB2 ASP 7 20.879 -10.718 17.246 52 2HB ASP 7 HB1 ASP 7 22.460 -11.080 16.561 53 H GLU 8 HN GLU 8 23.261 -13.676 17.399 54 HA GLU 8 HA GLU 8 22.274 -14.941 19.749 55 1HB GLU 8 HB2 GLU 8 24.626 -15.384 20.272 56 2HB GLU 8 HB1 GLU 8 24.259 -15.774 18.599 57 1HG GLU 8 HG2 GLU 8 26.091 -14.616 18.103 58 2HG GLU 8 HG1 GLU 8 25.118 -13.180 18.417 59 H MET 9 HN MET 9 23.740 -11.803 19.110 60 HA MET 9 HA MET 9 24.246 -11.122 21.819 61 1HB MET 9 HB2 MET 9 24.868 -10.009 19.384 62 2HB MET 9 HB1 MET 9 23.680 -8.877 20.016 63 1HG MET 9 HG2 MET 9 25.542 -9.542 22.077 64 2HG MET 9 HG1 MET 9 26.416 -9.054 20.627 65 1HE MET 9 HE1 MET 9 23.500 -8.198 22.991 66 2HE MET 9 HE3 MET 9 24.947 -7.685 23.858 67 3HE MET 9 HE2 MET 9 23.771 -6.486 23.318 68 HA PRO 10 HA PRO 10 19.947 -10.257 22.781 69 1HB PRO 10 HB2 PRO 10 20.195 -10.208 25.441 70 2HB PRO 10 HB1 PRO 10 20.342 -11.720 24.539 71 1HG PRO 10 HG2 PRO 10 22.484 -9.987 25.693 72 2HG PRO 10 HG1 PRO 10 22.374 -11.755 25.651 73 1HD PRO 10 HD2 PRO 10 23.858 -10.200 23.890 74 2HD PRO 10 HD1 PRO 10 23.336 -11.868 23.590 75 H SER 11 HN SER 11 21.083 -8.078 21.712 76 HA SER 11 HA SER 11 21.482 -5.930 23.548 77 1HB SER 11 HB2 SER 11 21.351 -4.501 21.476 78 2HB SER 11 HB1 SER 11 22.554 -5.788 21.403 79 HG SER 11 HG SER 11 20.595 -5.338 19.713 80 HA PRO 12 HA PRO 12 17.152 -5.227 24.467 81 1HB PRO 12 HB2 PRO 12 18.196 -2.605 25.386 82 2HB PRO 12 HB1 PRO 12 17.234 -3.802 26.258 83 1HG PRO 12 HG2 PRO 12 19.826 -3.473 26.795 84 2HG PRO 12 HG1 PRO 12 19.082 -5.083 26.811 85 1HD PRO 12 HD2 PRO 12 20.811 -3.811 24.726 86 2HD PRO 12 HD1 PRO 12 20.790 -5.491 25.305 87 H THR 13 HN THR 13 19.104 -2.517 23.192 88 HA THR 13 HA THR 13 16.878 -1.239 21.945 89 HB THR 13 HB THR 13 18.661 0.136 20.810 90 HG1 THR 13 HG1 THR 13 20.481 -0.936 20.698 91 1HG2 THR 13 3HG2 THR 13 17.749 0.808 22.997 92 2HG2 THR 13 2HG2 THR 13 19.040 -0.101 23.783 93 3HG2 THR 13 1HG2 THR 13 19.431 1.287 22.768 94 H PHE 14 HN PHE 14 16.171 -1.311 19.864 95 HA PHE 14 HA PHE 14 17.656 -2.767 17.841 96 1HB PHE 14 HB2 PHE 14 15.637 -4.076 19.343 97 2HB PHE 14 HB1 PHE 14 14.974 -3.786 17.738 98 HD1 PHE 14 HD1 PHE 14 15.740 -4.998 15.853 99 HD2 PHE 14 HD2 PHE 14 17.721 -5.393 19.600 100 HE1 PHE 14 HE1 PHE 14 16.981 -6.936 14.988 101 HE2 PHE 14 HE2 PHE 14 18.967 -7.333 18.740 102 HZ PHE 14 HZ PHE 14 18.598 -8.107 16.431 103 H LEU 15 HN LEU 15 14.442 -1.385 18.567 104 HA LEU 15 HA LEU 15 13.835 -0.625 15.927 105 1HB LEU 15 HB2 LEU 15 12.846 0.306 18.607 106 2HB LEU 15 HB1 LEU 15 12.265 1.031 17.121 107 HG LEU 15 HG LEU 15 12.020 -1.769 16.801 108 1HD1 LEU 15 1HD1 LEU 15 12.197 -1.970 19.229 109 2HD1 LEU 15 3HD1 LEU 15 10.884 -0.808 19.424 110 3HD1 LEU 15 2HD1 LEU 15 10.574 -2.370 18.665 111 1HD2 LEU 15 3HD2 LEU 15 10.607 -0.061 15.777 112 2HD2 LEU 15 2HD2 LEU 15 9.640 -1.243 16.658 113 3HD2 LEU 15 1HD2 LEU 15 9.943 0.346 17.359 114 H THR 16 HN THR 16 15.374 1.163 18.581 115 HA THR 16 HA THR 16 15.506 3.677 17.383 116 HB THR 16 HB THR 16 16.001 3.232 19.761 117 HG1 THR 16 HG1 THR 16 16.749 5.168 19.242 118 1HG2 THR 16 3HG2 THR 16 17.436 1.225 19.421 119 2HG2 THR 16 2HG2 THR 16 18.715 2.304 18.865 120 3HG2 THR 16 1HG2 THR 16 18.107 2.435 20.515 121 H GLN 17 HN GLN 17 17.464 0.837 16.796 122 HA GLN 17 HA GLN 17 19.707 2.059 15.640 123 1HB GLN 17 HB2 GLN 17 18.508 -0.660 15.545 124 2HB GLN 17 HB1 GLN 17 19.714 -0.259 14.331 125 1HG GLN 17 HG2 GLN 17 21.162 -0.989 15.866 126 2HG GLN 17 HG1 GLN 17 20.952 0.612 16.568 127 1HE2 GLN 17 1HE2 GLN 17 21.301 -2.389 17.478 128 2HE2 GLN 17 2HE2 GLN 17 20.239 -2.472 18.837 129 H VAL 18 HN VAL 18 16.527 1.479 14.336 130 HA VAL 18 HA VAL 18 16.583 1.286 11.710 131 HB VAL 18 HB VAL 18 14.807 3.066 11.503 132 1HG1 VAL 18 2HG1 VAL 18 14.701 0.740 13.358 133 2HG1 VAL 18 1HG1 VAL 18 13.295 1.797 13.232 134 3HG1 VAL 18 3HG1 VAL 18 13.914 0.980 11.798 135 1HG2 VAL 18 1HG2 VAL 18 15.660 3.526 14.318 136 2HG2 VAL 18 3HG2 VAL 18 15.137 4.680 13.091 137 3HG2 VAL 18 2HG2 VAL 18 13.947 3.679 13.924 138 H LYS 19 HN LYS 19 17.502 4.351 13.287 139 HA LYS 19 HA LYS 19 17.856 5.941 11.067 140 1HB LYS 19 HB2 LYS 19 19.495 5.907 13.604 141 2HB LYS 19 HB1 LYS 19 19.511 7.210 12.424 142 1HG LYS 19 HG2 LYS 19 17.066 6.307 13.933 143 2HG LYS 19 HG1 LYS 19 18.093 7.664 14.400 144 1HD LYS 19 HD2 LYS 19 16.659 8.883 13.169 145 2HD LYS 19 HD1 LYS 19 17.578 8.262 11.798 146 1HE LYS 19 HE2 LYS 19 15.353 7.843 11.225 147 2HE LYS 19 HE1 LYS 19 15.938 6.295 11.831 148 1HZ LYS 19 HZ1 LYS 19 14.347 8.266 13.385 149 2HZ LYS 19 HZ3 LYS 19 13.753 6.831 12.713 150 3HZ LYS 19 HZ2 LYS 19 14.897 6.772 13.958 151 H GLU 20 HN GLU 20 20.317 3.860 12.581 152 HA GLU 20 HA GLU 20 22.349 4.418 10.707 153 1HB GLU 20 HB2 GLU 20 22.004 1.913 12.362 154 2HB GLU 20 HB1 GLU 20 23.493 2.465 11.610 155 1HG GLU 20 HG2 GLU 20 23.925 3.312 13.634 156 2HG GLU 20 HG1 GLU 20 22.867 4.623 13.111 157 H SER 21 HN SER 21 19.697 2.166 10.727 158 HA SER 21 HA SER 21 20.550 0.444 8.662 159 1HB SER 21 HB2 SER 21 18.518 0.267 10.325 160 2HB SER 21 HB1 SER 21 17.646 1.091 9.033 161 HG SER 21 HG SER 21 18.639 -1.487 9.141 162 H LEU 22 HN LEU 22 18.677 3.449 8.626 163 HA LEU 22 HA LEU 22 18.201 3.447 5.818 164 1HB LEU 22 HB2 LEU 22 16.967 4.725 7.704 165 2HB LEU 22 HB1 LEU 22 18.241 5.916 7.525 166 HG LEU 22 HG LEU 22 17.520 5.786 4.972 167 1HD1 LEU 22 1HD1 LEU 22 15.067 4.908 6.483 168 2HD1 LEU 22 3HD1 LEU 22 15.039 5.578 4.851 169 3HD1 LEU 22 2HD1 LEU 22 15.881 4.061 5.167 170 1HD2 LEU 22 1HD2 LEU 22 17.515 7.787 6.384 171 2HD2 LEU 22 3HD2 LEU 22 16.081 7.710 5.361 172 3HD2 LEU 22 2HD2 LEU 22 15.967 7.296 7.071 173 H SER 23 HN SER 23 20.681 4.868 7.903 174 HA SER 23 HA SER 23 21.926 6.517 6.018 175 1HB SER 23 HB2 SER 23 23.216 5.042 8.327 176 2HB SER 23 HB1 SER 23 23.895 6.432 7.483 177 HG SER 23 HG SER 23 21.916 6.318 9.399 178 H SER 24 HN SER 24 22.729 3.174 6.954 179 HA SER 24 HA SER 24 24.781 2.826 5.045 180 1HB SER 24 HB2 SER 24 23.031 0.776 6.426 181 2HB SER 24 HB1 SER 24 24.476 0.393 5.490 182 HG SER 24 HG SER 24 24.235 1.572 8.002 183 H TYR 25 HN TYR 25 21.363 2.887 4.722 184 HA TYR 25 HA TYR 25 21.273 1.285 2.315 185 1HB TYR 25 HB2 TYR 25 19.383 1.470 4.003 186 2HB TYR 25 HB1 TYR 25 19.108 3.097 3.393 187 HD1 TYR 25 HD1 TYR 25 18.415 3.406 1.001 188 HD2 TYR 25 HD2 TYR 25 18.580 -0.430 2.837 189 HE1 TYR 25 HE1 TYR 25 16.985 2.499 -0.780 190 HE2 TYR 25 HE2 TYR 25 17.152 -1.347 1.059 191 HH TYR 25 HH TYR 25 16.728 -0.289 -1.694 192 H TRP 26 HN TRP 26 21.031 4.721 3.179 193 HA TRP 26 HA TRP 26 20.590 5.706 0.577 194 1HB TRP 26 HB2 TRP 26 21.286 6.829 3.204 195 2HB TRP 26 HB1 TRP 26 21.879 7.767 1.838 196 HD1 TRP 26 HD1 TRP 26 20.257 9.722 1.556 197 HE1 TRP 26 HE1 TRP 26 17.702 9.996 1.425 198 HE3 TRP 26 HE3 TRP 26 18.865 4.901 2.551 199 HZ2 TRP 26 HZ2 TRP 26 15.403 8.386 1.708 200 HZ3 TRP 26 HZ3 TRP 26 16.469 4.354 2.603 201 HH2 TRP 26 HH2 TRP 26 14.774 6.061 2.190 202 H GLU 27 HN GLU 27 23.519 4.955 2.354 203 HA GLU 27 HA GLU 27 25.536 6.163 1.019 204 1HB GLU 27 HB2 GLU 27 25.240 3.566 2.378 205 2HB GLU 27 HB1 GLU 27 26.582 3.651 1.247 206 1HG GLU 27 HG2 GLU 27 27.783 4.969 2.585 207 2HG GLU 27 HG1 GLU 27 26.395 5.970 3.006 208 H SER 28 HN SER 28 24.228 2.988 0.057 209 HA SER 28 HA SER 28 25.335 3.372 -2.628 210 1HB SER 28 HB2 SER 28 24.245 0.931 -1.216 211 2HB SER 28 HB1 SER 28 24.725 0.939 -2.913 212 HG SER 28 HG SER 28 26.793 1.138 -2.349 213 H ALA 29 HN ALA 29 22.531 4.185 -1.145 214 HA ALA 29 HA ALA 29 20.501 3.130 -2.779 215 1HB ALA 29 HB2 ALA 29 19.891 4.219 -0.750 216 2HB ALA 29 HB3 ALA 29 19.191 5.147 -2.075 217 3HB ALA 29 HB1 ALA 29 20.644 5.728 -1.263 218 H LYS 30 HN LYS 30 22.555 5.992 -3.187 219 HA LYS 30 HA LYS 30 21.278 7.197 -5.326 220 1HB LYS 30 HB2 LYS 30 23.289 8.051 -4.029 221 2HB LYS 30 HB1 LYS 30 24.278 7.026 -5.060 222 1HG LYS 30 HG2 LYS 30 22.786 8.412 -6.886 223 2HG LYS 30 HG1 LYS 30 23.035 9.607 -5.611 224 1HD LYS 30 HD2 LYS 30 25.396 9.413 -5.769 225 2HD LYS 30 HD1 LYS 30 25.277 7.973 -6.783 226 1HE LYS 30 HE2 LYS 30 25.751 9.601 -8.344 227 2HE LYS 30 HE1 LYS 30 23.989 9.556 -8.403 228 1HZ LYS 30 HZ1 LYS 30 25.576 11.496 -6.807 229 2HZ LYS 30 HZ3 LYS 30 24.889 11.823 -8.319 230 3HZ LYS 30 HZ2 LYS 30 23.894 11.485 -6.994 231 H THR 31 HN THR 31 23.837 4.725 -5.485 232 HA THR 31 HA THR 31 24.074 4.435 -8.212 233 HB THR 31 HB THR 31 24.029 2.074 -6.329 234 HG1 THR 31 HG1 THR 31 26.075 4.007 -6.675 235 1HG2 THR 31 2HG2 THR 31 25.661 2.675 -8.782 236 2HG2 THR 31 1HG2 THR 31 25.917 1.298 -7.709 237 3HG2 THR 31 3HG2 THR 31 24.409 1.444 -8.611 238 H ALA 32 HN ALA 32 21.628 3.157 -6.032 239 HA ALA 32 HA ALA 32 20.276 1.506 -7.880 240 1HB ALA 32 HB2 ALA 32 18.758 2.899 -5.726 241 2HB ALA 32 HB1 ALA 32 18.679 1.219 -6.259 242 3HB ALA 32 HB3 ALA 32 20.033 1.768 -5.271 243 H ALA 33 HN ALA 33 19.826 4.918 -6.955 244 HA ALA 33 HA ALA 33 17.558 5.534 -8.395 245 1HB ALA 33 HB1 ALA 33 18.900 7.044 -6.848 246 2HB ALA 33 HB3 ALA 33 19.900 7.409 -8.254 247 3HB ALA 33 HB2 ALA 33 18.181 7.801 -8.270 248 H GLN 34 HN GLN 34 20.905 5.739 -9.583 249 HA GLN 34 HA GLN 34 20.186 6.403 -12.235 250 1HB GLN 34 HB2 GLN 34 22.687 5.143 -11.096 251 2HB GLN 34 HB1 GLN 34 22.522 5.600 -12.785 252 1HG GLN 34 HG2 GLN 34 23.576 7.442 -11.963 253 2HG GLN 34 HG1 GLN 34 21.894 7.934 -11.768 254 1HE2 GLN 34 1HE2 GLN 34 24.512 6.293 -10.018 255 2HE2 GLN 34 2HE2 GLN 34 24.114 6.945 -8.469 256 H ASN 35 HN ASN 35 20.719 3.363 -10.546 257 HA ASN 35 HA ASN 35 20.631 1.653 -12.784 258 1HB ASN 35 HB2 ASN 35 21.295 1.137 -10.322 259 2HB ASN 35 HB1 ASN 35 19.577 0.825 -10.095 260 1HD2 ASN 35 1HD2 ASN 35 18.628 -0.945 -11.111 261 2HD2 ASN 35 2HD2 ASN 35 19.569 -2.225 -11.789 262 H LEU 36 HN LEU 36 18.140 3.272 -11.019 263 HA LEU 36 HA LEU 36 15.897 1.743 -11.684 264 1HB LEU 36 HB2 LEU 36 16.110 3.832 -10.144 265 2HB LEU 36 HB1 LEU 36 15.835 4.750 -11.612 266 HG LEU 36 HG LEU 36 13.884 2.598 -11.047 267 1HD1 LEU 36 3HD1 LEU 36 14.225 3.501 -8.811 268 2HD1 LEU 36 2HD1 LEU 36 13.972 5.136 -9.421 269 3HD1 LEU 36 1HD1 LEU 36 12.648 3.970 -9.446 270 1HD2 LEU 36 1HD2 LEU 36 13.663 5.464 -11.960 271 2HD2 LEU 36 3HD2 LEU 36 13.648 4.034 -12.990 272 3HD2 LEU 36 2HD2 LEU 36 12.326 4.319 -11.856 273 H TYR 37 HN TYR 37 17.532 4.400 -13.308 274 HA TYR 37 HA TYR 37 15.894 4.478 -15.622 275 1HB TYR 37 HB2 TYR 37 18.668 5.447 -14.985 276 2HB TYR 37 HB1 TYR 37 18.065 5.519 -16.635 277 HD1 TYR 37 HD1 TYR 37 16.199 7.000 -17.216 278 HD2 TYR 37 HD2 TYR 37 17.805 6.917 -13.276 279 HE1 TYR 37 HE1 TYR 37 15.063 9.121 -16.716 280 HE2 TYR 37 HE2 TYR 37 16.673 9.039 -12.765 281 HH TYR 37 HH TYR 37 15.707 11.130 -14.723 282 H GLU 38 HN GLU 38 18.765 2.682 -14.697 283 HA GLU 38 HA GLU 38 19.470 1.569 -17.155 284 1HB GLU 38 HB2 GLU 38 20.002 0.932 -14.323 285 2HB GLU 38 HB1 GLU 38 20.195 -0.408 -15.443 286 1HG GLU 38 HG2 GLU 38 22.313 0.548 -15.284 287 2HG GLU 38 HG1 GLU 38 21.666 1.151 -16.809 288 H LYS 39 HN LYS 39 17.511 0.084 -14.596 289 HA LYS 39 HA LYS 39 16.818 -2.241 -15.965 290 1HB LYS 39 HB2 LYS 39 16.469 -1.469 -13.466 291 2HB LYS 39 HB1 LYS 39 14.879 -1.009 -14.059 292 1HG LYS 39 HG2 LYS 39 14.179 -3.129 -14.188 293 2HG LYS 39 HG1 LYS 39 15.715 -3.703 -14.839 294 1HD LYS 39 HD2 LYS 39 16.676 -3.537 -12.548 295 2HD LYS 39 HD1 LYS 39 15.067 -3.129 -11.950 296 1HE LYS 39 HE2 LYS 39 14.939 -5.357 -11.609 297 2HE LYS 39 HE1 LYS 39 14.489 -5.369 -13.314 298 1HZ LYS 39 HZ2 LYS 39 16.883 -5.725 -13.820 299 2HZ LYS 39 HZ1 LYS 39 17.169 -5.914 -12.164 300 3HZ LYS 39 HZ3 LYS 39 16.162 -7.003 -12.978 301 H THR 40 HN THR 40 15.765 0.960 -16.572 302 HA THR 40 HA THR 40 13.150 0.359 -17.542 303 HB THR 40 HB THR 40 14.873 2.682 -18.404 304 HG1 THR 40 HG1 THR 40 13.316 2.393 -16.051 305 1HG2 THR 40 2HG2 THR 40 11.893 2.380 -18.139 306 2HG2 THR 40 1HG2 THR 40 12.733 3.892 -18.484 307 3HG2 THR 40 3HG2 THR 40 12.815 2.556 -19.632 308 H TYR 41 HN TYR 41 16.300 0.745 -19.060 309 HA TYR 41 HA TYR 41 15.455 0.367 -21.731 310 1HB TYR 41 HB2 TYR 41 18.209 -0.361 -20.776 311 2HB TYR 41 HB1 TYR 41 17.725 0.328 -22.320 312 HD1 TYR 41 HD1 TYR 41 19.459 1.056 -19.474 313 HD2 TYR 41 HD2 TYR 41 16.365 2.710 -21.882 314 HE1 TYR 41 HE1 TYR 41 20.005 3.296 -18.624 315 HE2 TYR 41 HE2 TYR 41 16.903 4.956 -21.039 316 HH TYR 41 HH TYR 41 18.127 5.789 -18.666 317 H LEU 42 HN LEU 42 16.893 -1.925 -19.398 318 HA LEU 42 HA LEU 42 16.680 -4.131 -21.233 319 1HB LEU 42 HB2 LEU 42 17.610 -3.791 -18.417 320 2HB LEU 42 HB1 LEU 42 17.263 -5.404 -19.007 321 HG LEU 42 HG LEU 42 19.640 -4.898 -19.189 322 1HD1 LEU 42 3HD1 LEU 42 18.445 -6.325 -20.889 323 2HD1 LEU 42 2HD1 LEU 42 18.465 -4.921 -21.956 324 3HD1 LEU 42 1HD1 LEU 42 19.982 -5.634 -21.407 325 1HD2 LEU 42 1HD2 LEU 42 19.328 -2.429 -19.465 326 2HD2 LEU 42 3HD2 LEU 42 20.505 -3.154 -20.560 327 3HD2 LEU 42 2HD2 LEU 42 18.896 -2.735 -21.148 328 HA PRO 43 HA PRO 43 12.688 -5.568 -19.873 329 1HB PRO 43 HB2 PRO 43 12.577 -7.802 -21.325 330 2HB PRO 43 HB1 PRO 43 12.639 -6.217 -22.102 331 1HG PRO 43 HG2 PRO 43 14.757 -8.277 -21.840 332 2HG PRO 43 HG1 PRO 43 14.504 -7.078 -23.118 333 1HD PRO 43 HD2 PRO 43 16.297 -6.914 -20.904 334 2HD PRO 43 HD1 PRO 43 15.966 -5.667 -22.121 335 H ALA 44 HN ALA 44 14.730 -6.095 -17.927 336 HA ALA 44 HA ALA 44 14.931 -8.820 -17.217 337 1HB ALA 44 HB1 ALA 44 15.191 -6.397 -15.445 338 2HB ALA 44 HB3 ALA 44 15.776 -8.022 -15.087 339 3HB ALA 44 HB2 ALA 44 16.481 -7.104 -16.417 340 H VAL 45 HN VAL 45 12.321 -6.647 -16.915 341 HA VAL 45 HA VAL 45 11.001 -7.132 -14.627 342 HB VAL 45 HB VAL 45 9.724 -7.119 -17.366 343 1HG1 VAL 45 1HG1 VAL 45 8.564 -6.805 -14.610 344 2HG1 VAL 45 3HG1 VAL 45 7.750 -6.205 -16.055 345 3HG1 VAL 45 2HG1 VAL 45 8.083 -7.928 -15.882 346 1HG2 VAL 45 1HG2 VAL 45 10.588 -4.949 -15.487 347 2HG2 VAL 45 3HG2 VAL 45 10.873 -5.103 -17.221 348 3HG2 VAL 45 2HG2 VAL 45 9.267 -4.685 -16.626 349 H ASP 46 HN ASP 46 10.661 -9.241 -17.497 350 HA ASP 46 HA ASP 46 9.123 -11.188 -16.101 351 1HB ASP 46 HB2 ASP 46 8.992 -10.832 -18.553 352 2HB ASP 46 HB1 ASP 46 10.617 -11.490 -18.713 353 H GLU 47 HN GLU 47 12.569 -10.838 -16.781 354 HA GLU 47 HA GLU 47 13.299 -13.503 -16.082 355 1HB GLU 47 HB2 GLU 47 14.844 -10.922 -16.249 356 2HB GLU 47 HB1 GLU 47 15.604 -12.418 -15.726 357 1HG GLU 47 HG2 GLU 47 16.102 -12.474 -17.943 358 2HG GLU 47 HG1 GLU 47 14.571 -13.345 -17.956 359 H LYS 48 HN LYS 48 13.454 -10.454 -14.233 360 HA LYS 48 HA LYS 48 14.398 -11.544 -11.833 361 1HB LYS 48 HB2 LYS 48 14.116 -9.064 -12.586 362 2HB LYS 48 HB1 LYS 48 12.520 -9.205 -11.863 363 1HG LYS 48 HG2 LYS 48 13.394 -9.548 -9.720 364 2HG LYS 48 HG1 LYS 48 15.001 -9.926 -10.342 365 1HD LYS 48 HD2 LYS 48 15.309 -7.772 -9.591 366 2HD LYS 48 HD1 LYS 48 14.889 -7.487 -11.281 367 1HE LYS 48 HE2 LYS 48 13.520 -5.973 -10.224 368 2HE LYS 48 HE1 LYS 48 12.450 -7.367 -10.348 369 1HZ LYS 48 HZ1 LYS 48 14.047 -6.637 -7.950 370 2HZ LYS 48 HZ3 LYS 48 12.386 -6.369 -8.142 371 3HZ LYS 48 HZ2 LYS 48 12.985 -7.949 -8.071 372 H LEU 49 HN LEU 49 11.206 -11.555 -13.227 373 HA LEU 49 HA LEU 49 9.691 -12.005 -10.890 374 1HB LEU 49 HB2 LEU 49 9.267 -12.487 -13.809 375 2HB LEU 49 HB1 LEU 49 8.176 -13.251 -12.670 376 HG LEU 49 HG LEU 49 8.682 -10.286 -12.625 377 1HD1 LEU 49 1HD1 LEU 49 6.911 -11.882 -14.414 378 2HD1 LEU 49 3HD1 LEU 49 6.359 -10.313 -13.827 379 3HD1 LEU 49 2HD1 LEU 49 7.852 -10.430 -14.760 380 1HD2 LEU 49 2HD2 LEU 49 7.648 -11.380 -10.650 381 2HD2 LEU 49 1HD2 LEU 49 6.594 -10.205 -11.437 382 3HD2 LEU 49 3HD2 LEU 49 6.334 -11.930 -11.691 383 H ARG 50 HN ARG 50 10.649 -14.361 -13.398 384 HA ARG 50 HA ARG 50 10.101 -16.637 -11.820 385 1HB ARG 50 HB2 ARG 50 10.516 -16.368 -14.409 386 2HB ARG 50 HB1 ARG 50 12.186 -16.696 -13.968 387 1HG ARG 50 HG2 ARG 50 11.279 -18.772 -14.562 388 2HG ARG 50 HG1 ARG 50 11.320 -18.773 -12.798 389 1HD ARG 50 HD2 ARG 50 8.909 -17.952 -12.908 390 2HD ARG 50 HD1 ARG 50 8.954 -18.393 -14.615 391 HE ARG 50 HE ARG 50 9.773 -20.657 -13.439 392 1HH1 ARG 50 1HH1 ARG 50 7.042 -18.569 -12.767 393 2HH1 ARG 50 2HH1 ARG 50 6.050 -19.856 -12.169 394 1HH2 ARG 50 1HH2 ARG 50 8.460 -22.346 -12.652 395 2HH2 ARG 50 2HH2 ARG 50 6.855 -22.000 -12.104 396 H ASP 51 HN ASP 51 12.904 -14.565 -12.162 397 HA ASP 51 HA ASP 51 14.889 -16.181 -11.057 398 1HB ASP 51 HB2 ASP 51 15.757 -14.237 -11.943 399 2HB ASP 51 HB1 ASP 51 14.463 -13.239 -11.298 400 H LEU 52 HN LEU 52 12.850 -13.780 -9.379 401 HA LEU 52 HA LEU 52 13.735 -14.464 -6.784 402 1HB LEU 52 HB2 LEU 52 12.289 -12.425 -7.805 403 2HB LEU 52 HB1 LEU 52 11.002 -13.374 -7.086 404 HG LEU 52 HG LEU 52 12.494 -13.341 -4.954 405 1HD1 LEU 52 2HD1 LEU 52 14.472 -12.397 -6.031 406 2HD1 LEU 52 1HD1 LEU 52 13.562 -10.942 -6.438 407 3HD1 LEU 52 3HD1 LEU 52 13.875 -11.344 -4.749 408 1HD2 LEU 52 2HD2 LEU 52 10.313 -12.256 -5.154 409 2HD2 LEU 52 1HD2 LEU 52 11.443 -11.258 -4.239 410 3HD2 LEU 52 3HD2 LEU 52 11.073 -10.859 -5.918 411 H TYR 53 HN TYR 53 11.311 -15.833 -8.887 412 HA TYR 53 HA TYR 53 9.787 -17.184 -6.910 413 1HB TYR 53 HB2 TYR 53 10.164 -17.726 -9.861 414 2HB TYR 53 HB1 TYR 53 9.040 -18.621 -8.846 415 HD1 TYR 53 HD1 TYR 53 8.221 -17.138 -11.291 416 HD2 TYR 53 HD2 TYR 53 8.483 -15.858 -7.241 417 HE1 TYR 53 HE1 TYR 53 6.498 -15.439 -11.722 418 HE2 TYR 53 HE2 TYR 53 6.761 -14.158 -7.661 419 HH TYR 53 HH TYR 53 5.901 -12.875 -9.732 420 H SER 54 HN SER 54 12.537 -18.178 -8.931 421 HA SER 54 HA SER 54 12.661 -20.856 -8.096 422 1HB SER 54 HB2 SER 54 14.918 -19.056 -9.013 423 2HB SER 54 HB1 SER 54 14.983 -20.816 -8.929 424 HG SER 54 HG SER 54 13.625 -20.965 -10.610 425 H LYS 55 HN LYS 55 14.375 -17.980 -6.881 426 HA LYS 55 HA LYS 55 15.832 -19.278 -4.856 427 1HB LYS 55 HB2 LYS 55 14.871 -16.414 -5.020 428 2HB LYS 55 HB1 LYS 55 16.044 -17.007 -3.853 429 1HG LYS 55 HG2 LYS 55 17.576 -17.581 -5.651 430 2HG LYS 55 HG1 LYS 55 16.393 -17.046 -6.845 431 1HD LYS 55 HD2 LYS 55 17.414 -15.215 -4.691 432 2HD LYS 55 HD1 LYS 55 18.268 -15.419 -6.223 433 1HE LYS 55 HE2 LYS 55 16.100 -14.828 -7.371 434 2HE LYS 55 HE1 LYS 55 15.476 -14.378 -5.786 435 1HZ LYS 55 HZ2 LYS 55 17.904 -13.200 -7.023 436 2HZ LYS 55 HZ1 LYS 55 16.370 -12.489 -7.066 437 3HZ LYS 55 HZ3 LYS 55 17.161 -12.708 -5.586 438 H SER 56 HN SER 56 12.702 -17.582 -4.748 439 HA SER 56 HA SER 56 12.224 -17.922 -2.002 440 1HB SER 56 HB2 SER 56 9.931 -17.301 -2.478 441 2HB SER 56 HB1 SER 56 11.017 -16.313 -3.454 442 HG SER 56 HG SER 56 9.445 -17.019 -4.820 443 H THR 57 HN THR 57 12.075 -20.292 -4.513 444 HA THR 57 HA THR 57 10.019 -21.939 -3.602 445 HB THR 57 HB THR 57 12.614 -22.830 -4.880 446 HG1 THR 57 HG1 THR 57 10.197 -21.911 -6.043 447 1HG2 THR 57 1HG2 THR 57 9.899 -24.118 -4.798 448 2HG2 THR 57 3HG2 THR 57 11.206 -24.610 -5.875 449 3HG2 THR 57 2HG2 THR 57 11.406 -24.743 -4.127 450 H ALA 58 HN ALA 58 13.511 -22.175 -2.870 451 HA ALA 58 HA ALA 58 12.962 -24.047 -0.714 452 1HB ALA 58 HB3 ALA 58 14.871 -24.456 -2.175 453 2HB ALA 58 HB2 ALA 58 15.583 -22.917 -1.689 454 3HB ALA 58 HB1 ALA 58 15.390 -24.211 -0.507 455 H ALA 59 HN ALA 59 14.247 -20.762 -1.109 456 HA ALA 59 HA ALA 59 14.889 -20.283 1.583 457 1HB ALA 59 HB1 ALA 59 14.925 -17.919 0.980 458 2HB ALA 59 HB2 ALA 59 14.107 -18.289 -0.538 459 3HB ALA 59 HB3 ALA 59 15.733 -18.904 -0.239 460 H MET 60 HN MET 60 12.052 -19.020 -0.203 461 HA MET 60 HA MET 60 10.736 -18.029 2.064 462 1HB MET 60 HB2 MET 60 10.322 -17.583 -0.465 463 2HB MET 60 HB1 MET 60 9.224 -18.951 -0.354 464 1HG MET 60 HG2 MET 60 8.043 -16.848 -0.100 465 2HG MET 60 HG1 MET 60 7.948 -17.815 1.370 466 1HE MET 60 HE3 MET 60 7.482 -16.289 3.208 467 2HE MET 60 HE2 MET 60 8.973 -17.098 3.695 468 3HE MET 60 HE1 MET 60 8.780 -15.367 3.966 469 H SER 61 HN SER 61 10.948 -21.288 0.889 470 HA SER 61 HA SER 61 8.530 -22.278 1.977 471 1HB SER 61 HB2 SER 61 9.769 -23.523 0.283 472 2HB SER 61 HB1 SER 61 11.119 -23.733 1.397 473 HG SER 61 HG SER 61 10.090 -25.321 2.317 474 H THR 62 HN THR 62 11.454 -21.323 3.498 475 HA THR 62 HA THR 62 10.831 -22.876 5.906 476 HB THR 62 HB THR 62 13.072 -22.115 6.705 477 HG1 THR 62 HG1 THR 62 13.788 -20.425 5.687 478 1HG2 THR 62 2HG2 THR 62 12.853 -24.259 5.507 479 2HG2 THR 62 1HG2 THR 62 13.227 -23.420 4.001 480 3HG2 THR 62 3HG2 THR 62 14.426 -23.493 5.292 481 H TYR 63 HN TYR 63 11.605 -19.540 4.916 482 HA TYR 63 HA TYR 63 11.005 -18.352 7.387 483 1HB TYR 63 HB2 TYR 63 12.327 -17.394 5.372 484 2HB TYR 63 HB1 TYR 63 10.748 -16.899 4.771 485 HD1 TYR 63 HD1 TYR 63 9.707 -14.951 5.586 486 HD2 TYR 63 HD2 TYR 63 13.067 -16.551 7.650 487 HE1 TYR 63 HE1 TYR 63 9.801 -12.933 6.987 488 HE2 TYR 63 HE2 TYR 63 13.169 -14.538 9.056 489 HH TYR 63 HH TYR 63 10.958 -12.590 9.645 490 H THR 64 HN THR 64 8.957 -19.583 4.895 491 HA THR 64 HA THR 64 6.748 -17.857 5.386 492 HB THR 64 HB THR 64 7.086 -20.474 3.973 493 HG1 THR 64 HG1 THR 64 6.059 -17.935 3.230 494 1HG2 THR 64 2HG2 THR 64 4.442 -19.286 4.747 495 2HG2 THR 64 1HG2 THR 64 4.646 -20.318 3.332 496 3HG2 THR 64 3HG2 THR 64 5.002 -20.949 4.939 497 H GLY 65 HN GLY 65 7.344 -21.231 6.346 498 1HA GLY 65 HA1 GLY 65 6.578 -22.423 8.161 499 2HA GLY 65 HA2 GLY 65 5.186 -21.345 8.177 500 H ILE 66 HN ILE 66 8.583 -20.448 8.488 501 HA ILE 66 HA ILE 66 8.660 -20.217 11.306 502 HB ILE 66 HB ILE 66 10.346 -18.925 9.161 503 1HG1 ILE 66 2HG1 ILE 66 11.185 -21.000 11.175 504 2HG1 ILE 66 1HG1 ILE 66 10.401 -21.457 9.667 505 1HG2 ILE 66 3HG2 ILE 66 10.513 -18.671 12.146 506 2HG2 ILE 66 2HG2 ILE 66 11.935 -18.480 11.120 507 3HG2 ILE 66 1HG2 ILE 66 10.554 -17.401 10.923 508 1HD1 ILE 66 3HD1 ILE 66 12.289 -19.955 8.622 509 2HD1 ILE 66 2HD1 ILE 66 13.106 -20.335 10.138 510 3HD1 ILE 66 1HD1 ILE 66 12.587 -21.636 9.066 511 H PHE 67 HN PHE 67 8.482 -17.651 8.828 512 HA PHE 67 HA PHE 67 8.041 -15.484 10.488 513 1HB PHE 67 HB2 PHE 67 8.443 -15.292 8.061 514 2HB PHE 67 HB1 PHE 67 6.826 -15.912 7.748 515 HD1 PHE 67 HD1 PHE 67 8.711 -13.091 9.213 516 HD2 PHE 67 HD2 PHE 67 4.947 -14.495 7.807 517 HE1 PHE 67 HE1 PHE 67 7.820 -10.800 9.323 518 HE2 PHE 67 HE2 PHE 67 4.050 -12.207 7.914 519 HZ PHE 67 HZ PHE 67 5.487 -10.357 8.671 520 H THR 68 HN THR 68 5.556 -17.491 8.914 521 HA THR 68 HA THR 68 3.359 -16.233 10.140 522 HB THR 68 HB THR 68 3.511 -19.051 9.065 523 HG1 THR 68 HG1 THR 68 2.954 -16.595 7.762 524 1HG2 THR 68 1HG2 THR 68 1.204 -17.239 9.652 525 2HG2 THR 68 3HG2 THR 68 1.093 -18.523 8.448 526 3HG2 THR 68 2HG2 THR 68 1.447 -18.919 10.130 527 H ASP 69 HN ASP 69 5.568 -18.623 11.283 528 HA ASP 69 HA ASP 69 4.012 -19.906 13.229 529 1HB ASP 69 HB2 ASP 69 6.346 -20.561 12.562 530 2HB ASP 69 HB1 ASP 69 6.942 -19.207 13.513 531 H GLN 70 HN GLN 70 6.140 -17.069 13.612 532 HA GLN 70 HA GLN 70 5.295 -16.513 16.270 533 1HB GLN 70 HB2 GLN 70 6.768 -14.846 14.230 534 2HB GLN 70 HB1 GLN 70 6.448 -14.301 15.870 535 1HG GLN 70 HG2 GLN 70 8.550 -15.130 16.125 536 2HG GLN 70 HG1 GLN 70 7.607 -16.569 16.508 537 1HE2 GLN 70 1HE2 GLN 70 8.167 -18.366 15.495 538 2HE2 GLN 70 2HE2 GLN 70 9.055 -18.464 14.017 539 H VAL 71 HN VAL 71 4.056 -15.666 13.144 540 HA VAL 71 HA VAL 71 2.538 -13.385 13.904 541 HB VAL 71 HB VAL 71 2.152 -15.315 11.598 542 1HG1 VAL 71 3HG1 VAL 71 0.765 -12.727 12.254 543 2HG1 VAL 71 2HG1 VAL 71 0.808 -13.400 10.624 544 3HG1 VAL 71 1HG1 VAL 71 0.044 -14.303 11.931 545 1HG2 VAL 71 3HG2 VAL 71 4.213 -13.626 11.933 546 2HG2 VAL 71 2HG2 VAL 71 3.537 -14.028 10.354 547 3HG2 VAL 71 1HG2 VAL 71 3.058 -12.536 11.165 548 H LEU 72 HN LEU 72 1.676 -16.778 13.322 549 HA LEU 72 HA LEU 72 -0.975 -16.672 14.211 550 1HB LEU 72 HB2 LEU 72 1.025 -18.767 13.692 551 2HB LEU 72 HB1 LEU 72 -0.171 -19.203 14.896 552 HG LEU 72 HG LEU 72 -1.970 -18.808 13.305 553 1HD1 LEU 72 1HD1 LEU 72 0.266 -17.821 11.581 554 2HD1 LEU 72 3HD1 LEU 72 -1.193 -18.496 10.853 555 3HD1 LEU 72 2HD1 LEU 72 -1.304 -17.088 11.909 556 1HD2 LEU 72 1HD2 LEU 72 -0.959 -21.026 13.387 557 2HD2 LEU 72 3HD2 LEU 72 -1.497 -20.635 11.753 558 3HD2 LEU 72 2HD2 LEU 72 0.216 -20.543 12.163 559 H SER 73 HN SER 73 2.087 -17.011 15.899 560 HA SER 73 HA SER 73 1.131 -17.776 18.415 561 1HB SER 73 HB2 SER 73 3.577 -17.583 17.561 562 2HB SER 73 HB1 SER 73 3.472 -15.913 18.118 563 HG SER 73 HG SER 73 4.266 -17.152 19.790 564 H VAL 74 HN VAL 74 1.185 -14.658 16.862 565 HA VAL 74 HA VAL 74 0.612 -13.135 19.210 566 HB VAL 74 HB VAL 74 -0.008 -12.375 16.349 567 1HG1 VAL 74 1HG1 VAL 74 -0.006 -10.946 18.934 568 2HG1 VAL 74 3HG1 VAL 74 0.664 -10.079 17.552 569 3HG1 VAL 74 2HG1 VAL 74 -0.989 -10.690 17.493 570 1HG2 VAL 74 2HG2 VAL 74 2.558 -12.607 17.764 571 2HG2 VAL 74 1HG2 VAL 74 2.208 -12.598 16.035 572 3HG2 VAL 74 3HG2 VAL 74 2.304 -11.078 16.923 573 H LEU 75 HN LEU 75 -1.258 -15.053 17.012 574 HA LEU 75 HA LEU 75 -3.808 -13.899 17.444 575 1HB LEU 75 HB2 LEU 75 -2.764 -16.010 15.926 576 2HB LEU 75 HB1 LEU 75 -3.936 -16.750 16.999 577 HG LEU 75 HG LEU 75 -5.006 -16.203 14.915 578 1HD1 LEU 75 2HD1 LEU 75 -6.261 -15.883 17.050 579 2HD1 LEU 75 1HD1 LEU 75 -5.882 -14.163 16.950 580 3HD1 LEU 75 3HD1 LEU 75 -6.861 -14.924 15.697 581 1HD2 LEU 75 2HD2 LEU 75 -3.373 -14.383 14.323 582 2HD2 LEU 75 1HD2 LEU 75 -5.062 -14.033 13.958 583 3HD2 LEU 75 3HD2 LEU 75 -4.298 -13.314 15.376 584 H LYS 76 HN LYS 76 -1.926 -16.301 19.119 585 HA LYS 76 HA LYS 76 -3.977 -17.190 20.883 586 1HB LYS 76 HB2 LYS 76 -1.820 -18.404 20.269 587 2HB LYS 76 HB1 LYS 76 -1.013 -17.338 21.409 588 1HG LYS 76 HG2 LYS 76 -2.923 -18.220 23.019 589 2HG LYS 76 HG1 LYS 76 -2.880 -19.586 21.902 590 1HD LYS 76 HD2 LYS 76 -1.301 -20.270 23.406 591 2HD LYS 76 HD1 LYS 76 -0.274 -19.366 22.291 592 1HE LYS 76 HE2 LYS 76 -1.525 -17.972 24.619 593 2HE LYS 76 HE1 LYS 76 -0.094 -18.969 24.868 594 1HZ LYS 76 HZ1 LYS 76 0.898 -17.606 22.968 595 2HZ LYS 76 HZ3 LYS 76 -0.369 -16.517 23.243 596 3HZ LYS 76 HZ2 LYS 76 0.741 -16.852 24.474 597 H GLY 77 HN GLY 77 -1.738 -14.501 20.946 598 1HA GLY 77 HA1 GLY 77 -1.182 -13.035 22.674 599 2HA GLY 77 HA2 GLY 77 -2.157 -13.993 23.775 600 H GLU 78 HN GLU 78 -4.537 -13.883 22.002 601 HA GLU 78 HA GLU 78 -6.412 -12.640 21.725 602 1HB GLU 78 HB2 GLU 78 -5.203 -10.910 23.891 603 2HB GLU 78 HB1 GLU 78 -6.885 -10.898 23.381 604 1HG GLU 78 HG2 GLU 78 -7.080 -12.236 25.192 605 2HG GLU 78 HG1 GLU 78 -6.705 -13.468 23.990 606 H GLU 79 HN GLU 79 -4.157 -12.042 19.995 607 HA GLU 79 HA GLU 79 -4.803 -9.237 19.359 608 1HB GLU 79 HB2 GLU 79 -2.121 -10.578 18.984 609 2HB GLU 79 HB1 GLU 79 -2.519 -8.931 18.523 610 1HG GLU 79 HG2 GLU 79 -2.298 -8.152 20.614 611 2HG GLU 79 HG1 GLU 79 -3.018 -9.588 21.340 No H/Q in entry = 611 Start of MODEL 24 1 H1 THR 1 HT1 THR 1 15.552 -11.978 25.687 2 H2 THR 1 HT3 THR 1 16.412 -13.462 25.696 3 H3 THR 1 HT2 THR 1 14.944 -13.327 24.817 4 HA THR 1 HA THR 1 14.500 -14.506 26.766 5 HB THR 1 HB THR 1 16.478 -13.811 28.017 6 HG1 THR 1 HG1 THR 1 14.985 -14.589 29.383 7 1HG2 THR 1 1HG2 THR 1 15.127 -11.136 28.177 8 2HG2 THR 1 3HG2 THR 1 16.380 -11.649 29.307 9 3HG2 THR 1 2HG2 THR 1 16.746 -11.515 27.587 10 H GLN 2 HN GLN 2 12.510 -14.304 27.793 11 HA GLN 2 HA GLN 2 10.862 -12.128 26.846 12 1HB GLN 2 HB2 GLN 2 10.146 -14.487 28.602 13 2HB GLN 2 HB1 GLN 2 9.003 -13.380 27.856 14 1HG GLN 2 HG2 GLN 2 10.912 -15.127 26.320 15 2HG GLN 2 HG1 GLN 2 9.243 -15.559 26.690 16 1HE2 GLN 2 1HE2 GLN 2 11.330 -13.496 24.821 17 2HE2 GLN 2 2HE2 GLN 2 10.121 -12.924 23.728 18 H GLN 3 HN GLN 3 11.574 -13.505 30.062 19 HA GLN 3 HA GLN 3 11.804 -12.575 32.108 20 1HB GLN 3 HB2 GLN 3 11.607 -9.853 30.823 21 2HB GLN 3 HB1 GLN 3 12.333 -10.263 32.368 22 1HG GLN 3 HG2 GLN 3 14.264 -10.987 31.434 23 2HG GLN 3 HG1 GLN 3 13.472 -11.563 29.968 24 1HE2 GLN 3 1HE2 GLN 3 12.551 -9.772 28.572 25 2HE2 GLN 3 2HE2 GLN 3 13.537 -8.371 28.368 26 HA PRO 4 HA PRO 4 7.603 -11.949 33.321 27 1HB PRO 4 HB2 PRO 4 7.957 -11.146 35.886 28 2HB PRO 4 HB1 PRO 4 8.209 -12.815 35.365 29 1HG PRO 4 HG2 PRO 4 10.226 -10.650 35.823 30 2HG PRO 4 HG1 PRO 4 10.291 -12.357 36.298 31 1HD PRO 4 HD2 PRO 4 11.586 -11.395 34.122 32 2HD PRO 4 HD1 PRO 4 10.941 -13.047 34.199 33 H GLN 5 HN GLN 5 9.776 -9.441 32.832 34 HA GLN 5 HA GLN 5 8.315 -7.259 33.955 35 1HB GLN 5 HB2 GLN 5 10.498 -7.405 31.876 36 2HB GLN 5 HB1 GLN 5 9.795 -5.887 32.414 37 1HG GLN 5 HG2 GLN 5 11.504 -5.921 33.865 38 2HG GLN 5 HG1 GLN 5 10.428 -6.964 34.791 39 1HE2 GLN 5 1HE2 GLN 5 13.062 -6.986 32.440 40 2HE2 GLN 5 2HE2 GLN 5 13.709 -8.516 32.914 41 H GLN 6 HN GLN 6 7.672 -5.386 32.393 42 HA GLN 6 HA GLN 6 5.461 -6.293 30.860 43 1HB GLN 6 HB2 GLN 6 5.474 -4.120 32.016 44 2HB GLN 6 HB1 GLN 6 6.750 -3.555 30.948 45 1HG GLN 6 HG2 GLN 6 4.261 -4.542 29.684 46 2HG GLN 6 HG1 GLN 6 4.183 -3.006 30.545 47 1HE2 GLN 6 1HE2 GLN 6 5.892 -1.407 29.951 48 2HE2 GLN 6 2HE2 GLN 6 6.345 -1.307 28.286 49 H ASP 7 HN ASP 7 8.419 -4.550 29.846 50 HA ASP 7 HA ASP 7 7.957 -5.027 27.073 51 1HB ASP 7 HB2 ASP 7 9.385 -3.170 28.227 52 2HB ASP 7 HB1 ASP 7 10.668 -4.375 28.192 53 H GLU 8 HN GLU 8 8.395 -6.788 25.909 54 HA GLU 8 HA GLU 8 9.505 -9.115 27.111 55 1HB GLU 8 HB2 GLU 8 7.816 -8.767 25.068 56 2HB GLU 8 HB1 GLU 8 9.306 -8.936 24.149 57 1HG GLU 8 HG2 GLU 8 8.422 -11.090 24.261 58 2HG GLU 8 HG1 GLU 8 9.700 -11.066 25.474 59 H MET 9 HN MET 9 10.726 -6.800 24.706 60 HA MET 9 HA MET 9 13.182 -8.153 24.256 61 1HB MET 9 HB2 MET 9 12.007 -5.539 23.527 62 2HB MET 9 HB1 MET 9 13.763 -5.595 23.576 63 1HG MET 9 HG2 MET 9 13.143 -6.068 21.358 64 2HG MET 9 HG1 MET 9 13.636 -7.603 22.072 65 1HE MET 9 HE2 MET 9 11.048 -5.765 20.071 66 2HE MET 9 HE1 MET 9 9.488 -6.417 20.574 67 3HE MET 9 HE3 MET 9 10.386 -5.349 21.652 68 HA PRO 10 HA PRO 10 15.088 -7.079 28.171 69 1HB PRO 10 HB2 PRO 10 17.587 -8.004 27.509 70 2HB PRO 10 HB1 PRO 10 16.273 -9.028 28.095 71 1HG PRO 10 HG2 PRO 10 17.206 -8.559 25.294 72 2HG PRO 10 HG1 PRO 10 16.692 -10.070 26.068 73 1HD PRO 10 HD2 PRO 10 15.076 -8.690 24.413 74 2HD PRO 10 HD1 PRO 10 14.447 -9.584 25.813 75 H SER 11 HN SER 11 16.838 -6.449 25.115 76 HA SER 11 HA SER 11 18.371 -4.306 26.217 77 1HB SER 11 HB2 SER 11 19.188 -5.620 24.304 78 2HB SER 11 HB1 SER 11 17.852 -5.028 23.320 79 HG SER 11 HG SER 11 18.799 -3.120 23.149 80 HA PRO 12 HA PRO 12 15.160 -1.222 25.934 81 1HB PRO 12 HB2 PRO 12 16.719 0.943 26.484 82 2HB PRO 12 HB1 PRO 12 16.137 -0.174 27.722 83 1HG PRO 12 HG2 PRO 12 18.815 -0.033 26.400 84 2HG PRO 12 HG1 PRO 12 18.417 -0.344 28.100 85 1HD PRO 12 HD2 PRO 12 19.083 -2.314 26.354 86 2HD PRO 12 HD1 PRO 12 17.981 -2.569 27.721 87 H THR 13 HN THR 13 18.328 -0.445 24.459 88 HA THR 13 HA THR 13 17.210 1.327 22.524 89 HB THR 13 HB THR 13 19.501 1.159 21.469 90 HG1 THR 13 HG1 THR 13 20.399 -0.689 22.014 91 1HG2 THR 13 2HG2 THR 13 19.023 2.867 23.165 92 2HG2 THR 13 1HG2 THR 13 19.538 1.739 24.419 93 3HG2 THR 13 3HG2 THR 13 20.694 2.305 23.214 94 H PHE 14 HN PHE 14 16.341 0.903 20.605 95 HA PHE 14 HA PHE 14 17.058 -1.466 19.105 96 1HB PHE 14 HB2 PHE 14 14.535 -1.265 20.608 97 2HB PHE 14 HB1 PHE 14 14.335 -1.701 18.914 98 HD1 PHE 14 HD1 PHE 14 15.038 -2.898 22.164 99 HD2 PHE 14 HD2 PHE 14 15.813 -3.642 18.046 100 HE1 PHE 14 HE1 PHE 14 15.633 -5.224 22.699 101 HE2 PHE 14 HE2 PHE 14 16.408 -5.969 18.574 102 HZ PHE 14 HZ PHE 14 16.318 -6.763 20.904 103 H LEU 15 HN LEU 15 14.494 1.024 19.253 104 HA LEU 15 HA LEU 15 14.232 1.318 16.466 105 1HB LEU 15 HB2 LEU 15 12.806 2.186 18.561 106 2HB LEU 15 HB1 LEU 15 13.688 3.659 18.207 107 HG LEU 15 HG LEU 15 12.352 2.320 15.920 108 1HD1 LEU 15 1HD1 LEU 15 10.662 2.129 17.668 109 2HD1 LEU 15 3HD1 LEU 15 10.825 3.850 18.022 110 3HD1 LEU 15 2HD1 LEU 15 10.196 3.325 16.459 111 1HD2 LEU 15 1HD2 LEU 15 12.834 5.149 16.820 112 2HD2 LEU 15 3HD2 LEU 15 13.532 4.310 15.435 113 3HD2 LEU 15 2HD2 LEU 15 11.823 4.743 15.434 114 H THR 16 HN THR 16 16.449 2.742 18.768 115 HA THR 16 HA THR 16 17.337 4.960 17.330 116 HB THR 16 HB THR 16 19.536 4.527 18.614 117 HG1 THR 16 HG1 THR 16 19.590 2.883 19.979 118 1HG2 THR 16 2HG2 THR 16 17.851 6.078 19.445 119 2HG2 THR 16 1HG2 THR 16 16.990 4.739 20.203 120 3HG2 THR 16 3HG2 THR 16 18.606 5.174 20.757 121 H GLN 17 HN GLN 17 18.260 1.556 17.074 122 HA GLN 17 HA GLN 17 20.507 1.876 15.410 123 1HB GLN 17 HB2 GLN 17 18.578 -0.391 15.846 124 2HB GLN 17 HB1 GLN 17 19.866 -0.514 14.656 125 1HG GLN 17 HG2 GLN 17 21.055 -1.351 16.346 126 2HG GLN 17 HG1 GLN 17 21.244 0.333 16.835 127 1HE2 GLN 17 1HE2 GLN 17 20.309 1.030 18.691 128 2HE2 GLN 17 2HE2 GLN 17 19.412 0.015 19.762 129 H VAL 18 HN VAL 18 17.129 1.126 14.586 130 HA VAL 18 HA VAL 18 16.967 0.841 11.969 131 HB VAL 18 HB VAL 18 15.275 2.870 13.435 132 1HG1 VAL 18 2HG1 VAL 18 14.900 1.420 10.827 133 2HG1 VAL 18 1HG1 VAL 18 13.553 2.119 11.726 134 3HG1 VAL 18 3HG1 VAL 18 14.852 3.156 11.136 135 1HG2 VAL 18 1HG2 VAL 18 15.128 -0.121 13.212 136 2HG2 VAL 18 3HG2 VAL 18 15.083 0.885 14.660 137 3HG2 VAL 18 2HG2 VAL 18 13.700 0.852 13.567 138 H LYS 19 HN LYS 19 17.442 4.082 13.391 139 HA LYS 19 HA LYS 19 17.385 5.613 11.105 140 1HB LYS 19 HB2 LYS 19 19.022 5.940 13.615 141 2HB LYS 19 HB1 LYS 19 18.973 7.157 12.349 142 1HG LYS 19 HG2 LYS 19 17.254 8.022 13.463 143 2HG LYS 19 HG1 LYS 19 16.314 6.676 12.818 144 1HD LYS 19 HD2 LYS 19 17.229 5.397 14.896 145 2HD LYS 19 HD1 LYS 19 17.528 7.015 15.532 146 1HE LYS 19 HE2 LYS 19 14.858 6.528 14.359 147 2HE LYS 19 HE1 LYS 19 15.216 5.690 15.867 148 1HZ LYS 19 HZ3 LYS 19 15.440 8.622 15.438 149 2HZ LYS 19 HZ2 LYS 19 14.178 7.844 16.251 150 3HZ LYS 19 HZ1 LYS 19 15.742 7.806 16.890 151 H GLU 20 HN GLU 20 20.295 4.122 12.547 152 HA GLU 20 HA GLU 20 22.057 4.955 10.508 153 1HB GLU 20 HB2 GLU 20 22.249 2.642 12.440 154 2HB GLU 20 HB1 GLU 20 23.561 3.158 11.390 155 1HG GLU 20 HG2 GLU 20 24.168 4.743 12.809 156 2HG GLU 20 HG1 GLU 20 22.531 5.390 12.879 157 H SER 21 HN SER 21 19.855 2.282 10.749 158 HA SER 21 HA SER 21 20.953 0.592 8.779 159 1HB SER 21 HB2 SER 21 19.005 0.183 10.489 160 2HB SER 21 HB1 SER 21 17.987 0.790 9.184 161 HG SER 21 HG SER 21 18.391 -0.955 8.030 162 H LEU 22 HN LEU 22 18.561 3.211 8.577 163 HA LEU 22 HA LEU 22 18.121 2.938 5.776 164 1HB LEU 22 HB2 LEU 22 16.547 4.013 7.414 165 2HB LEU 22 HB1 LEU 22 17.643 5.381 7.480 166 HG LEU 22 HG LEU 22 17.310 5.513 4.922 167 1HD1 LEU 22 3HD1 LEU 22 16.220 3.352 4.647 168 2HD1 LEU 22 2HD1 LEU 22 14.897 3.874 5.690 169 3HD1 LEU 22 1HD1 LEU 22 15.158 4.662 4.134 170 1HD2 LEU 22 3HD2 LEU 22 16.469 7.164 6.513 171 2HD2 LEU 22 2HD2 LEU 22 15.318 6.891 5.206 172 3HD2 LEU 22 1HD2 LEU 22 15.037 6.173 6.793 173 H SER 23 HN SER 23 20.235 4.983 7.756 174 HA SER 23 HA SER 23 21.169 6.675 5.734 175 1HB SER 23 HB2 SER 23 21.565 7.034 8.167 176 2HB SER 23 HB1 SER 23 22.722 5.702 8.146 177 HG SER 23 HG SER 23 24.139 6.930 7.144 178 H SER 24 HN SER 24 22.598 3.653 6.971 179 HA SER 24 HA SER 24 24.719 3.556 5.109 180 1HB SER 24 HB2 SER 24 23.381 1.307 6.633 181 2HB SER 24 HB1 SER 24 24.915 1.174 5.775 182 HG SER 24 HG SER 24 24.319 2.435 8.179 183 H TYR 25 HN TYR 25 21.362 2.904 4.773 184 HA TYR 25 HA TYR 25 21.636 1.116 2.520 185 1HB TYR 25 HB2 TYR 25 19.692 0.794 3.875 186 2HB TYR 25 HB1 TYR 25 19.263 2.498 3.782 187 HD1 TYR 25 HD1 TYR 25 17.901 3.309 2.031 188 HD2 TYR 25 HD2 TYR 25 19.506 -0.624 1.795 189 HE1 TYR 25 HE1 TYR 25 16.462 2.846 0.093 190 HE2 TYR 25 HE2 TYR 25 18.071 -1.098 -0.144 191 HH TYR 25 HH TYR 25 16.844 0.805 -2.036 192 H TRP 26 HN TRP 26 20.802 4.521 3.062 193 HA TRP 26 HA TRP 26 20.234 5.182 0.383 194 1HB TRP 26 HB2 TRP 26 20.934 6.734 2.838 195 2HB TRP 26 HB1 TRP 26 20.970 7.557 1.283 196 HD1 TRP 26 HD1 TRP 26 18.389 5.098 2.852 197 HE1 TRP 26 HE1 TRP 26 16.055 6.153 2.607 198 HE3 TRP 26 HE3 TRP 26 19.716 9.489 0.595 199 HZ2 TRP 26 HZ2 TRP 26 14.926 8.532 1.591 200 HZ3 TRP 26 HZ3 TRP 26 17.948 11.100 0.018 201 HH2 TRP 26 HH2 TRP 26 15.603 10.629 0.506 202 H GLU 27 HN GLU 27 23.230 5.114 2.217 203 HA GLU 27 HA GLU 27 25.023 6.502 0.742 204 1HB GLU 27 HB2 GLU 27 25.152 4.127 2.443 205 2HB GLU 27 HB1 GLU 27 26.426 4.166 1.231 206 1HG GLU 27 HG2 GLU 27 27.364 5.224 3.070 207 2HG GLU 27 HG1 GLU 27 26.863 6.555 2.028 208 H SER 28 HN SER 28 24.254 3.077 0.130 209 HA SER 28 HA SER 28 25.401 3.273 -2.541 210 1HB SER 28 HB2 SER 28 25.740 1.309 -0.877 211 2HB SER 28 HB1 SER 28 24.136 0.796 -1.399 212 HG SER 28 HG SER 28 25.709 -0.177 -2.688 213 H ALA 29 HN ALA 29 22.368 3.725 -1.121 214 HA ALA 29 HA ALA 29 20.628 2.520 -2.972 215 1HB ALA 29 HB2 ALA 29 19.850 3.414 -0.843 216 2HB ALA 29 HB1 ALA 29 20.201 5.053 -1.392 217 3HB ALA 29 HB3 ALA 29 18.943 4.106 -2.187 218 H LYS 30 HN LYS 30 22.442 5.527 -3.135 219 HA LYS 30 HA LYS 30 21.096 6.851 -5.158 220 1HB LYS 30 HB2 LYS 30 24.100 6.757 -4.835 221 2HB LYS 30 HB1 LYS 30 23.174 8.016 -5.638 222 1HG LYS 30 HG2 LYS 30 23.200 7.370 -2.698 223 2HG LYS 30 HG1 LYS 30 23.847 8.807 -3.486 224 1HD LYS 30 HD2 LYS 30 21.884 9.795 -3.129 225 2HD LYS 30 HD1 LYS 30 21.172 8.670 -4.289 226 1HE LYS 30 HE2 LYS 30 21.044 7.058 -2.260 227 2HE LYS 30 HE1 LYS 30 21.235 8.522 -1.298 228 1HZ LYS 30 HZ2 LYS 30 19.117 8.137 -3.343 229 2HZ LYS 30 HZ1 LYS 30 18.898 7.877 -1.686 230 3HZ LYS 30 HZ3 LYS 30 19.260 9.429 -2.259 231 H THR 31 HN THR 31 23.698 4.451 -5.522 232 HA THR 31 HA THR 31 23.961 4.392 -8.261 233 HB THR 31 HB THR 31 23.929 1.885 -6.576 234 HG1 THR 31 HG1 THR 31 25.390 2.834 -5.418 235 1HG2 THR 31 1HG2 THR 31 25.602 2.693 -8.942 236 2HG2 THR 31 3HG2 THR 31 25.801 1.214 -8.004 237 3HG2 THR 31 2HG2 THR 31 24.321 1.481 -8.923 238 H ALA 32 HN ALA 32 21.488 2.941 -6.227 239 HA ALA 32 HA ALA 32 20.194 1.407 -8.208 240 1HB ALA 32 HB3 ALA 32 18.649 2.661 -5.980 241 2HB ALA 32 HB2 ALA 32 18.528 1.036 -6.659 242 3HB ALA 32 HB1 ALA 32 19.885 1.458 -5.613 243 H ALA 33 HN ALA 33 19.759 4.774 -7.142 244 HA ALA 33 HA ALA 33 17.487 5.468 -8.541 245 1HB ALA 33 HB2 ALA 33 18.847 6.912 -6.955 246 2HB ALA 33 HB1 ALA 33 19.860 7.303 -8.345 247 3HB ALA 33 HB3 ALA 33 18.148 7.726 -8.355 248 H GLN 34 HN GLN 34 20.823 5.779 -9.759 249 HA GLN 34 HA GLN 34 20.040 6.476 -12.385 250 1HB GLN 34 HB2 GLN 34 22.344 6.762 -11.281 251 2HB GLN 34 HB1 GLN 34 22.616 5.073 -11.686 252 1HG GLN 34 HG2 GLN 34 22.053 5.734 -14.084 253 2HG GLN 34 HG1 GLN 34 22.238 7.400 -13.537 254 1HE2 GLN 34 1HE2 GLN 34 23.884 4.314 -13.903 255 2HE2 GLN 34 2HE2 GLN 34 25.484 4.965 -13.950 256 H ASN 35 HN ASN 35 20.679 3.420 -10.765 257 HA ASN 35 HA ASN 35 20.641 1.755 -13.039 258 1HB ASN 35 HB2 ASN 35 21.437 1.060 -10.769 259 2HB ASN 35 HB1 ASN 35 19.759 1.012 -10.244 260 1HD2 ASN 35 1HD2 ASN 35 21.884 -0.269 -12.782 261 2HD2 ASN 35 2HD2 ASN 35 21.143 -1.827 -12.850 262 H LEU 36 HN LEU 36 18.102 3.271 -11.252 263 HA LEU 36 HA LEU 36 15.907 1.683 -11.944 264 1HB LEU 36 HB2 LEU 36 16.089 3.804 -10.397 265 2HB LEU 36 HB1 LEU 36 15.695 4.676 -11.867 266 HG LEU 36 HG LEU 36 13.672 3.035 -11.996 267 1HD1 LEU 36 1HD1 LEU 36 14.386 2.885 -9.072 268 2HD1 LEU 36 3HD1 LEU 36 12.858 2.359 -9.777 269 3HD1 LEU 36 2HD1 LEU 36 14.359 1.545 -10.218 270 1HD2 LEU 36 2HD2 LEU 36 13.557 5.475 -11.635 271 2HD2 LEU 36 1HD2 LEU 36 12.319 4.593 -10.741 272 3HD2 LEU 36 3HD2 LEU 36 13.745 5.205 -9.903 273 H TYR 37 HN TYR 37 17.447 4.427 -13.507 274 HA TYR 37 HA TYR 37 15.834 4.474 -15.839 275 1HB TYR 37 HB2 TYR 37 18.250 5.802 -14.886 276 2HB TYR 37 HB1 TYR 37 18.338 5.434 -16.606 277 HD1 TYR 37 HD1 TYR 37 16.653 6.381 -18.159 278 HD2 TYR 37 HD2 TYR 37 16.780 7.491 -14.054 279 HE1 TYR 37 HE1 TYR 37 15.262 8.348 -18.653 280 HE2 TYR 37 HE2 TYR 37 15.390 9.461 -14.537 281 HH TYR 37 HH TYR 37 15.011 10.912 -16.912 282 H GLU 38 HN GLU 38 18.801 2.809 -14.938 283 HA GLU 38 HA GLU 38 19.515 1.753 -17.424 284 1HB GLU 38 HB2 GLU 38 20.971 1.703 -15.424 285 2HB GLU 38 HB1 GLU 38 19.928 0.478 -14.716 286 1HG GLU 38 HG2 GLU 38 22.024 -0.389 -15.750 287 2HG GLU 38 HG1 GLU 38 20.540 -1.119 -16.358 288 H LYS 39 HN LYS 39 17.720 0.120 -14.833 289 HA LYS 39 HA LYS 39 17.085 -2.195 -16.251 290 1HB LYS 39 HB2 LYS 39 15.824 -0.836 -13.888 291 2HB LYS 39 HB1 LYS 39 15.145 -2.316 -14.552 292 1HG LYS 39 HG2 LYS 39 17.611 -3.182 -14.298 293 2HG LYS 39 HG1 LYS 39 17.708 -1.882 -13.107 294 1HD LYS 39 HD2 LYS 39 16.123 -2.853 -11.727 295 2HD LYS 39 HD1 LYS 39 15.411 -3.796 -13.037 296 1HE LYS 39 HE2 LYS 39 17.643 -5.045 -13.105 297 2HE LYS 39 HE1 LYS 39 17.969 -4.293 -11.544 298 1HZ LYS 39 HZ3 LYS 39 15.923 -5.302 -10.696 299 2HZ LYS 39 HZ2 LYS 39 15.670 -6.062 -12.186 300 3HZ LYS 39 HZ1 LYS 39 17.013 -6.474 -11.246 301 H THR 40 HN THR 40 15.861 0.959 -16.740 302 HA THR 40 HA THR 40 13.214 0.317 -17.536 303 HB THR 40 HB THR 40 14.936 2.610 -18.498 304 HG1 THR 40 HG1 THR 40 14.227 3.715 -16.755 305 1HG2 THR 40 1HG2 THR 40 11.948 2.287 -18.419 306 2HG2 THR 40 3HG2 THR 40 12.789 3.803 -18.736 307 3HG2 THR 40 2HG2 THR 40 12.966 2.447 -19.850 308 H TYR 41 HN TYR 41 16.128 0.949 -19.437 309 HA TYR 41 HA TYR 41 15.031 0.180 -21.930 310 1HB TYR 41 HB2 TYR 41 17.968 0.070 -21.259 311 2HB TYR 41 HB1 TYR 41 17.217 0.408 -22.814 312 HD1 TYR 41 HD1 TYR 41 18.715 1.835 -19.950 313 HD2 TYR 41 HD2 TYR 41 15.752 2.578 -22.913 314 HE1 TYR 41 HE1 TYR 41 18.860 4.244 -19.483 315 HE2 TYR 41 HE2 TYR 41 15.890 4.989 -22.454 316 HH TYR 41 HH TYR 41 18.120 6.512 -21.254 317 H LEU 42 HN LEU 42 16.764 -1.603 -19.428 318 HA LEU 42 HA LEU 42 17.182 -3.960 -20.972 319 1HB LEU 42 HB2 LEU 42 17.127 -3.664 -17.970 320 2HB LEU 42 HB1 LEU 42 17.822 -5.001 -18.868 321 HG LEU 42 HG LEU 42 18.831 -2.178 -19.160 322 1HD1 LEU 42 2HD1 LEU 42 19.701 -4.300 -17.207 323 2HD1 LEU 42 1HD1 LEU 42 20.651 -2.869 -17.609 324 3HD1 LEU 42 3HD1 LEU 42 19.075 -2.693 -16.838 325 1HD2 LEU 42 2HD2 LEU 42 20.026 -4.878 -19.773 326 2HD2 LEU 42 1HD2 LEU 42 19.447 -3.696 -20.945 327 3HD2 LEU 42 3HD2 LEU 42 20.856 -3.332 -19.950 328 HA PRO 43 HA PRO 43 13.184 -5.828 -20.359 329 1HB PRO 43 HB2 PRO 43 13.620 -8.099 -21.679 330 2HB PRO 43 HB1 PRO 43 13.646 -6.544 -22.518 331 1HG PRO 43 HG2 PRO 43 15.910 -8.293 -21.704 332 2HG PRO 43 HG1 PRO 43 15.755 -7.239 -23.118 333 1HD PRO 43 HD2 PRO 43 17.096 -6.652 -20.692 334 2HD PRO 43 HD1 PRO 43 16.750 -5.527 -22.020 335 H ALA 44 HN ALA 44 15.447 -6.307 -18.266 336 HA ALA 44 HA ALA 44 15.301 -8.994 -17.411 337 1HB ALA 44 HB3 ALA 44 15.986 -6.516 -15.837 338 2HB ALA 44 HB2 ALA 44 16.290 -8.176 -15.324 339 3HB ALA 44 HB1 ALA 44 17.114 -7.525 -16.741 340 H VAL 45 HN VAL 45 13.032 -6.455 -17.159 341 HA VAL 45 HA VAL 45 11.741 -6.639 -14.808 342 HB VAL 45 HB VAL 45 10.372 -6.573 -17.502 343 1HG1 VAL 45 1HG1 VAL 45 9.390 -5.944 -14.730 344 2HG1 VAL 45 3HG1 VAL 45 8.609 -5.314 -16.180 345 3HG1 VAL 45 2HG1 VAL 45 8.698 -7.054 -15.913 346 1HG2 VAL 45 2HG2 VAL 45 11.598 -4.452 -15.771 347 2HG2 VAL 45 1HG2 VAL 45 11.830 -4.752 -17.493 348 3HG2 VAL 45 3HG2 VAL 45 10.312 -4.068 -16.914 349 H ASP 46 HN ASP 46 10.900 -8.765 -17.561 350 HA ASP 46 HA ASP 46 9.228 -10.430 -15.954 351 1HB ASP 46 HB2 ASP 46 10.334 -10.772 -18.744 352 2HB ASP 46 HB1 ASP 46 9.211 -11.904 -17.995 353 H GLU 47 HN GLU 47 12.621 -10.522 -16.837 354 HA GLU 47 HA GLU 47 13.061 -13.275 -16.280 355 1HB GLU 47 HB2 GLU 47 14.571 -11.524 -17.508 356 2HB GLU 47 HB1 GLU 47 15.198 -11.208 -15.897 357 1HG GLU 47 HG2 GLU 47 15.157 -13.917 -17.207 358 2HG GLU 47 HG1 GLU 47 16.540 -12.826 -17.203 359 H LYS 48 HN LYS 48 13.681 -10.355 -14.320 360 HA LYS 48 HA LYS 48 14.642 -11.570 -12.026 361 1HB LYS 48 HB2 LYS 48 13.450 -8.979 -12.704 362 2HB LYS 48 HB1 LYS 48 13.210 -9.446 -11.026 363 1HG LYS 48 HG2 LYS 48 15.190 -8.199 -11.050 364 2HG LYS 48 HG1 LYS 48 15.705 -9.882 -10.937 365 1HD LYS 48 HD2 LYS 48 15.423 -8.923 -13.685 366 2HD LYS 48 HD1 LYS 48 16.636 -8.045 -12.751 367 1HE LYS 48 HE2 LYS 48 17.827 -10.045 -12.263 368 2HE LYS 48 HE1 LYS 48 16.521 -11.050 -12.888 369 1HZ LYS 48 HZ3 LYS 48 18.175 -9.196 -14.517 370 2HZ LYS 48 HZ2 LYS 48 18.380 -10.873 -14.442 371 3HZ LYS 48 HZ1 LYS 48 16.963 -10.224 -15.099 372 H LEU 49 HN LEU 49 11.366 -11.472 -13.208 373 HA LEU 49 HA LEU 49 10.000 -11.967 -10.791 374 1HB LEU 49 HB2 LEU 49 9.361 -11.832 -13.581 375 2HB LEU 49 HB1 LEU 49 8.644 -13.285 -12.911 376 HG LEU 49 HG LEU 49 8.257 -10.661 -11.520 377 1HD1 LEU 49 2HD1 LEU 49 7.672 -10.235 -13.847 378 2HD1 LEU 49 1HD1 LEU 49 6.634 -11.660 -13.856 379 3HD1 LEU 49 3HD1 LEU 49 6.231 -10.283 -12.831 380 1HD2 LEU 49 2HD2 LEU 49 6.579 -13.156 -11.777 381 2HD2 LEU 49 1HD2 LEU 49 7.568 -12.706 -10.387 382 3HD2 LEU 49 3HD2 LEU 49 6.167 -11.728 -10.826 383 H ARG 50 HN ARG 50 10.681 -14.274 -13.427 384 HA ARG 50 HA ARG 50 10.229 -16.578 -11.860 385 1HB ARG 50 HB2 ARG 50 11.894 -16.284 -14.370 386 2HB ARG 50 HB1 ARG 50 11.325 -17.804 -13.696 387 1HG ARG 50 HG2 ARG 50 9.217 -15.831 -14.209 388 2HG ARG 50 HG1 ARG 50 10.068 -16.401 -15.645 389 1HD ARG 50 HD2 ARG 50 8.594 -18.091 -15.573 390 2HD ARG 50 HD1 ARG 50 9.655 -18.734 -14.324 391 HE ARG 50 HE ARG 50 7.075 -17.412 -13.920 392 1HH1 ARG 50 1HH1 ARG 50 9.859 -19.024 -12.521 393 2HH1 ARG 50 2HH1 ARG 50 9.076 -19.317 -11.007 394 1HH2 ARG 50 1HH2 ARG 50 6.060 -17.799 -11.920 395 2HH2 ARG 50 2HH2 ARG 50 6.922 -18.623 -10.664 396 H ASP 51 HN ASP 51 13.057 -14.592 -12.461 397 HA ASP 51 HA ASP 51 15.089 -16.281 -11.577 398 1HB ASP 51 HB2 ASP 51 15.264 -13.948 -12.645 399 2HB ASP 51 HB1 ASP 51 15.065 -13.321 -11.012 400 H LEU 52 HN LEU 52 13.331 -13.828 -9.674 401 HA LEU 52 HA LEU 52 14.444 -14.771 -7.199 402 1HB LEU 52 HB2 LEU 52 12.508 -12.646 -7.997 403 2HB LEU 52 HB1 LEU 52 12.545 -13.164 -6.322 404 HG LEU 52 HG LEU 52 15.080 -12.691 -6.440 405 1HD1 LEU 52 2HD1 LEU 52 15.203 -12.465 -8.876 406 2HD1 LEU 52 1HD1 LEU 52 14.143 -11.056 -8.793 407 3HD1 LEU 52 3HD1 LEU 52 15.744 -11.001 -8.055 408 1HD2 LEU 52 3HD2 LEU 52 13.490 -11.372 -5.139 409 2HD2 LEU 52 2HD2 LEU 52 14.717 -10.345 -5.881 410 3HD2 LEU 52 1HD2 LEU 52 13.096 -10.424 -6.572 411 H TYR 53 HN TYR 53 11.805 -15.749 -9.128 412 HA TYR 53 HA TYR 53 9.993 -16.563 -7.107 413 1HB TYR 53 HB2 TYR 53 10.106 -16.639 -9.950 414 2HB TYR 53 HB1 TYR 53 9.781 -18.275 -9.390 415 HD1 TYR 53 HD1 TYR 53 7.906 -18.428 -7.517 416 HD2 TYR 53 HD2 TYR 53 8.313 -15.225 -10.287 417 HE1 TYR 53 HE1 TYR 53 5.540 -17.849 -7.184 418 HE2 TYR 53 HE2 TYR 53 5.949 -14.635 -9.962 419 HH TYR 53 HH TYR 53 4.196 -15.266 -7.636 420 H SER 54 HN SER 54 12.455 -18.355 -8.967 421 HA SER 54 HA SER 54 12.075 -20.842 -7.714 422 1HB SER 54 HB2 SER 54 14.412 -21.334 -8.521 423 2HB SER 54 HB1 SER 54 13.317 -20.747 -9.771 424 HG SER 54 HG SER 54 14.446 -18.954 -9.937 425 H LYS 55 HN LYS 55 14.344 -18.198 -6.993 426 HA LYS 55 HA LYS 55 15.652 -19.432 -4.833 427 1HB LYS 55 HB2 LYS 55 15.197 -16.492 -5.377 428 2HB LYS 55 HB1 LYS 55 16.330 -17.132 -4.195 429 1HG LYS 55 HG2 LYS 55 17.276 -18.426 -6.275 430 2HG LYS 55 HG1 LYS 55 16.488 -17.121 -7.164 431 1HD LYS 55 HD2 LYS 55 17.728 -15.484 -5.784 432 2HD LYS 55 HD1 LYS 55 18.565 -16.823 -4.996 433 1HE LYS 55 HE2 LYS 55 19.161 -17.501 -7.452 434 2HE LYS 55 HE1 LYS 55 18.814 -15.807 -7.792 435 1HZ LYS 55 HZ3 LYS 55 20.461 -15.180 -6.130 436 2HZ LYS 55 HZ2 LYS 55 20.801 -16.808 -5.823 437 3HZ LYS 55 HZ1 LYS 55 21.156 -16.143 -7.336 438 H SER 56 HN SER 56 12.883 -17.192 -4.884 439 HA SER 56 HA SER 56 12.513 -17.054 -2.104 440 1HB SER 56 HB2 SER 56 10.346 -16.086 -2.582 441 2HB SER 56 HB1 SER 56 11.523 -15.466 -3.738 442 HG SER 56 HG SER 56 9.934 -16.060 -5.045 443 H THR 57 HN THR 57 11.015 -19.264 -4.492 444 HA THR 57 HA THR 57 9.188 -20.466 -2.764 445 HB THR 57 HB THR 57 9.393 -22.466 -4.339 446 HG1 THR 57 HG1 THR 57 11.365 -22.320 -5.208 447 1HG2 THR 57 1HG2 THR 57 8.729 -19.715 -5.294 448 2HG2 THR 57 3HG2 THR 57 8.618 -21.105 -6.372 449 3HG2 THR 57 2HG2 THR 57 7.650 -21.053 -4.899 450 H ALA 58 HN ALA 58 12.632 -21.022 -3.126 451 HA ALA 58 HA ALA 58 12.583 -23.425 -1.508 452 1HB ALA 58 HB2 ALA 58 15.033 -23.369 -1.760 453 2HB ALA 58 HB1 ALA 58 14.194 -23.280 -3.309 454 3HB ALA 58 HB3 ALA 58 14.895 -21.825 -2.601 455 H ALA 59 HN ALA 59 13.991 -20.158 -1.182 456 HA ALA 59 HA ALA 59 14.842 -20.448 1.485 457 1HB ALA 59 HB1 ALA 59 14.988 -17.980 1.494 458 2HB ALA 59 HB2 ALA 59 14.157 -17.951 -0.061 459 3HB ALA 59 HB3 ALA 59 15.744 -18.711 0.077 460 H MET 60 HN MET 60 11.984 -18.721 0.221 461 HA MET 60 HA MET 60 10.851 -18.125 2.716 462 1HB MET 60 HB2 MET 60 10.301 -17.166 0.392 463 2HB MET 60 HB1 MET 60 9.217 -18.539 0.228 464 1HG MET 60 HG2 MET 60 8.032 -16.556 0.972 465 2HG MET 60 HG1 MET 60 7.985 -17.823 2.195 466 1HE MET 60 HE1 MET 60 7.127 -16.022 3.885 467 2HE MET 60 HE3 MET 60 8.222 -17.176 4.644 468 3HE MET 60 HE2 MET 60 8.348 -15.460 5.025 469 H SER 61 HN SER 61 11.050 -21.166 1.162 470 HA SER 61 HA SER 61 8.599 -22.302 2.009 471 1HB SER 61 HB2 SER 61 10.876 -23.168 0.566 472 2HB SER 61 HB1 SER 61 10.666 -24.294 1.906 473 HG SER 61 HG SER 61 8.824 -24.963 1.077 474 H THR 62 HN THR 62 11.501 -21.554 3.707 475 HA THR 62 HA THR 62 10.787 -23.299 5.948 476 HB THR 62 HB THR 62 12.999 -22.549 6.888 477 HG1 THR 62 HG1 THR 62 13.746 -20.822 5.960 478 1HG2 THR 62 1HG2 THR 62 12.836 -24.645 5.613 479 2HG2 THR 62 3HG2 THR 62 13.222 -23.752 4.142 480 3HG2 THR 62 2HG2 THR 62 14.405 -23.855 5.446 481 H TYR 63 HN TYR 63 11.582 -19.895 5.265 482 HA TYR 63 HA TYR 63 10.875 -18.900 7.793 483 1HB TYR 63 HB2 TYR 63 12.264 -17.808 5.870 484 2HB TYR 63 HB1 TYR 63 10.699 -17.230 5.309 485 HD1 TYR 63 HD1 TYR 63 12.712 -17.377 8.458 486 HD2 TYR 63 HD2 TYR 63 9.979 -15.166 6.062 487 HE1 TYR 63 HE1 TYR 63 12.842 -15.508 10.048 488 HE2 TYR 63 HE2 TYR 63 10.101 -13.289 7.645 489 HH TYR 63 HH TYR 63 12.284 -12.664 9.596 490 H THR 64 HN THR 64 8.904 -20.117 5.287 491 HA THR 64 HA THR 64 6.692 -18.360 5.632 492 HB THR 64 HB THR 64 7.130 -20.976 4.285 493 HG1 THR 64 HG1 THR 64 6.977 -19.665 2.677 494 1HG2 THR 64 3HG2 THR 64 4.411 -20.028 5.128 495 2HG2 THR 64 2HG2 THR 64 4.664 -21.030 3.698 496 3HG2 THR 64 1HG2 THR 64 5.118 -21.637 5.290 497 H GLY 65 HN GLY 65 7.201 -21.707 6.742 498 1HA GLY 65 HA1 GLY 65 6.372 -22.809 8.586 499 2HA GLY 65 HA2 GLY 65 5.012 -21.691 8.542 500 H ILE 66 HN ILE 66 8.416 -20.841 8.848 501 HA ILE 66 HA ILE 66 8.496 -20.526 11.656 502 HB ILE 66 HB ILE 66 10.187 -19.284 9.483 503 1HG1 ILE 66 2HG1 ILE 66 10.355 -21.738 9.740 504 2HG1 ILE 66 1HG1 ILE 66 11.855 -20.924 10.168 505 1HG2 ILE 66 2HG2 ILE 66 10.387 -19.045 12.468 506 2HG2 ILE 66 1HG2 ILE 66 11.801 -18.871 11.428 507 3HG2 ILE 66 3HG2 ILE 66 10.434 -17.771 11.249 508 1HD1 ILE 66 2HD1 ILE 66 11.260 -21.141 12.545 509 2HD1 ILE 66 1HD1 ILE 66 9.808 -22.025 12.077 510 3HD1 ILE 66 3HD1 ILE 66 11.399 -22.697 11.729 511 H PHE 67 HN PHE 67 8.327 -18.039 9.097 512 HA PHE 67 HA PHE 67 7.921 -15.813 10.684 513 1HB PHE 67 HB2 PHE 67 8.306 -15.691 8.259 514 2HB PHE 67 HB1 PHE 67 6.695 -16.336 7.966 515 HD1 PHE 67 HD1 PHE 67 4.821 -14.929 7.918 516 HD2 PHE 67 HD2 PHE 67 8.535 -13.454 9.383 517 HE1 PHE 67 HE1 PHE 67 3.904 -12.646 7.936 518 HE2 PHE 67 HE2 PHE 67 7.624 -11.169 9.403 519 HZ PHE 67 HZ PHE 67 5.306 -10.763 8.680 520 H THR 68 HN THR 68 5.380 -17.814 9.177 521 HA THR 68 HA THR 68 3.228 -16.492 10.422 522 HB THR 68 HB THR 68 1.869 -18.430 9.731 523 HG1 THR 68 HG1 THR 68 3.015 -20.214 9.881 524 1HG2 THR 68 1HG2 THR 68 3.830 -17.471 7.665 525 2HG2 THR 68 3HG2 THR 68 2.401 -18.441 7.303 526 3HG2 THR 68 2HG2 THR 68 2.221 -16.832 8.005 527 H ASP 69 HN ASP 69 5.432 -18.848 11.598 528 HA ASP 69 HA ASP 69 3.886 -20.135 13.544 529 1HB ASP 69 HB2 ASP 69 6.546 -20.203 12.805 530 2HB ASP 69 HB1 ASP 69 6.614 -19.541 14.435 531 H GLN 70 HN GLN 70 5.907 -17.218 13.878 532 HA GLN 70 HA GLN 70 5.075 -16.667 16.543 533 1HB GLN 70 HB2 GLN 70 6.410 -14.926 14.464 534 2HB GLN 70 HB1 GLN 70 6.127 -14.423 16.124 535 1HG GLN 70 HG2 GLN 70 8.271 -15.149 16.296 536 2HG GLN 70 HG1 GLN 70 7.420 -16.646 16.671 537 1HE2 GLN 70 1HE2 GLN 70 8.135 -18.373 15.644 538 2HE2 GLN 70 2HE2 GLN 70 8.937 -18.390 14.114 539 H VAL 71 HN VAL 71 3.801 -15.876 13.409 540 HA VAL 71 HA VAL 71 2.151 -13.691 14.176 541 HB VAL 71 HB VAL 71 1.837 -15.612 11.854 542 1HG1 VAL 71 2HG1 VAL 71 0.452 -13.023 12.506 543 2HG1 VAL 71 1HG1 VAL 71 0.498 -13.698 10.878 544 3HG1 VAL 71 3HG1 VAL 71 -0.273 -14.598 12.185 545 1HG2 VAL 71 2HG2 VAL 71 3.940 -14.093 12.097 546 2HG2 VAL 71 1HG2 VAL 71 3.098 -14.183 10.551 547 3HG2 VAL 71 3HG2 VAL 71 2.835 -12.805 11.619 548 H LEU 72 HN LEU 72 1.501 -17.122 13.571 549 HA LEU 72 HA LEU 72 -1.169 -17.181 14.401 550 1HB LEU 72 HB2 LEU 72 0.189 -19.001 13.205 551 2HB LEU 72 HB1 LEU 72 0.776 -19.448 14.795 552 HG LEU 72 HG LEU 72 -1.701 -19.697 15.441 553 1HD1 LEU 72 1HD1 LEU 72 -2.642 -18.552 13.508 554 2HD1 LEU 72 3HD1 LEU 72 -1.949 -19.771 12.437 555 3HD1 LEU 72 2HD1 LEU 72 -3.206 -20.221 13.590 556 1HD2 LEU 72 2HD2 LEU 72 -0.162 -21.573 15.184 557 2HD2 LEU 72 1HD2 LEU 72 -1.767 -21.978 14.574 558 3HD2 LEU 72 3HD2 LEU 72 -0.466 -21.593 13.446 559 H SER 73 HN SER 73 1.874 -17.333 16.151 560 HA SER 73 HA SER 73 0.909 -18.140 18.655 561 1HB SER 73 HB2 SER 73 3.360 -17.796 17.850 562 2HB SER 73 HB1 SER 73 3.134 -16.134 18.393 563 HG SER 73 HG SER 73 3.141 -16.779 20.414 564 H VAL 74 HN VAL 74 1.014 -14.975 17.132 565 HA VAL 74 HA VAL 74 0.136 -13.531 19.438 566 HB VAL 74 HB VAL 74 -0.129 -12.692 16.544 567 1HG1 VAL 74 1HG1 VAL 74 -0.227 -11.210 19.155 568 2HG1 VAL 74 3HG1 VAL 74 0.125 -10.396 17.631 569 3HG1 VAL 74 2HG1 VAL 74 -1.414 -11.227 17.850 570 1HG2 VAL 74 1HG2 VAL 74 2.231 -12.983 18.236 571 2HG2 VAL 74 3HG2 VAL 74 2.105 -12.765 16.490 572 3HG2 VAL 74 2HG2 VAL 74 2.051 -11.365 17.559 573 H LEU 75 HN LEU 75 -1.446 -15.547 17.158 574 HA LEU 75 HA LEU 75 -4.015 -14.370 17.134 575 1HB LEU 75 HB2 LEU 75 -2.952 -16.327 15.708 576 2HB LEU 75 HB1 LEU 75 -3.691 -17.326 16.945 577 HG LEU 75 HG LEU 75 -5.879 -16.146 16.407 578 1HD1 LEU 75 1HD1 LEU 75 -4.238 -15.229 14.053 579 2HD1 LEU 75 3HD1 LEU 75 -5.999 -15.185 14.120 580 3HD1 LEU 75 2HD1 LEU 75 -5.050 -14.217 15.248 581 1HD2 LEU 75 1HD2 LEU 75 -5.329 -18.436 15.690 582 2HD2 LEU 75 3HD2 LEU 75 -6.334 -17.587 14.515 583 3HD2 LEU 75 2HD2 LEU 75 -4.607 -17.785 14.218 584 H LYS 76 HN LYS 76 -2.434 -16.660 19.236 585 HA LYS 76 HA LYS 76 -4.730 -17.294 20.809 586 1HB LYS 76 HB2 LYS 76 -2.458 -18.564 20.551 587 2HB LYS 76 HB1 LYS 76 -1.926 -17.509 21.852 588 1HG LYS 76 HG2 LYS 76 -4.090 -18.351 23.040 589 2HG LYS 76 HG1 LYS 76 -3.966 -19.681 21.888 590 1HD LYS 76 HD2 LYS 76 -1.600 -18.848 23.531 591 2HD LYS 76 HD1 LYS 76 -2.833 -19.917 24.202 592 1HE LYS 76 HE2 LYS 76 -2.407 -21.585 22.592 593 2HE LYS 76 HE1 LYS 76 -1.485 -20.479 21.576 594 1HZ LYS 76 HZ2 LYS 76 -0.655 -21.453 24.257 595 2HZ LYS 76 HZ1 LYS 76 -0.044 -22.002 22.778 596 3HZ LYS 76 HZ3 LYS 76 0.234 -20.407 23.269 597 H GLY 77 HN GLY 77 -2.096 -14.942 21.109 598 1HA GLY 77 HA1 GLY 77 -1.771 -13.186 22.555 599 2HA GLY 77 HA2 GLY 77 -2.776 -14.040 23.715 600 H GLU 78 HN GLU 78 -3.065 -12.176 20.684 601 HA GLU 78 HA GLU 78 -5.751 -11.330 21.415 602 1HB GLU 78 HB2 GLU 78 -3.634 -9.792 22.272 603 2HB GLU 78 HB1 GLU 78 -4.075 -9.014 20.759 604 1HG GLU 78 HG2 GLU 78 -5.258 -7.946 22.527 605 2HG GLU 78 HG1 GLU 78 -6.414 -8.874 21.573 606 H GLU 79 HN GLU 79 -4.784 -12.891 19.226 607 HA GLU 79 HA GLU 79 -5.257 -13.120 17.015 608 1HB GLU 79 HB2 GLU 79 -7.125 -11.431 17.569 609 2HB GLU 79 HB1 GLU 79 -6.071 -10.228 16.840 610 1HG GLU 79 HG2 GLU 79 -6.950 -12.729 15.424 611 2HG GLU 79 HG1 GLU 79 -7.823 -11.200 15.335 No H/Q in entry = 611 Start of MODEL 25 1 H1 THR 1 HT2 THR 1 29.429 -19.625 17.281 2 H2 THR 1 HT1 THR 1 28.177 -18.625 16.666 3 H3 THR 1 HT3 THR 1 29.389 -19.229 15.613 4 HA THR 1 HA THR 1 31.045 -17.951 16.662 5 HB THR 1 HB THR 1 30.043 -15.651 16.211 6 HG1 THR 1 HG1 THR 1 27.941 -15.735 16.525 7 1HG2 THR 1 3HG2 THR 1 31.076 -17.063 14.431 8 2HG2 THR 1 2HG2 THR 1 29.456 -17.639 14.040 9 3HG2 THR 1 1HG2 THR 1 29.848 -15.929 13.868 10 H GLN 2 HN GLN 2 31.848 -16.998 18.451 11 HA GLN 2 HA GLN 2 30.196 -16.966 20.833 12 1HB GLN 2 HB2 GLN 2 32.711 -17.713 20.561 13 2HB GLN 2 HB1 GLN 2 33.029 -16.002 20.806 14 1HG GLN 2 HG2 GLN 2 31.486 -17.768 22.694 15 2HG GLN 2 HG1 GLN 2 33.178 -17.311 22.878 16 1HE2 GLN 2 1HE2 GLN 2 33.509 -14.841 22.752 17 2HE2 GLN 2 2HE2 GLN 2 32.406 -13.898 23.689 18 H GLN 3 HN GLN 3 29.172 -15.239 21.591 19 HA GLN 3 HA GLN 3 30.098 -12.570 20.755 20 1HB GLN 3 HB2 GLN 3 27.813 -13.525 19.877 21 2HB GLN 3 HB1 GLN 3 27.238 -13.088 21.479 22 1HG GLN 3 HG2 GLN 3 28.756 -11.010 20.045 23 2HG GLN 3 HG1 GLN 3 27.188 -11.437 19.364 24 1HE2 GLN 3 1HE2 GLN 3 25.377 -10.695 20.317 25 2HE2 GLN 3 2HE2 GLN 3 25.347 -9.759 21.768 26 HA PRO 4 HA PRO 4 30.568 -12.269 25.224 27 1HB PRO 4 HB2 PRO 4 31.862 -9.889 25.221 28 2HB PRO 4 HB1 PRO 4 32.662 -11.410 24.811 29 1HG PRO 4 HG2 PRO 4 31.577 -9.292 22.995 30 2HG PRO 4 HG1 PRO 4 33.104 -10.186 22.884 31 1HD PRO 4 HD2 PRO 4 30.916 -10.817 21.407 32 2HD PRO 4 HD1 PRO 4 32.104 -12.026 21.935 33 H GLN 5 HN GLN 5 28.207 -12.037 25.353 34 HA GLN 5 HA GLN 5 26.978 -9.475 25.070 35 1HB GLN 5 HB2 GLN 5 26.144 -12.157 26.033 36 2HB GLN 5 HB1 GLN 5 25.216 -10.784 26.619 37 1HG GLN 5 HG2 GLN 5 25.743 -11.307 23.706 38 2HG GLN 5 HG1 GLN 5 24.321 -11.897 24.565 39 1HE2 GLN 5 1HE2 GLN 5 22.661 -10.519 24.996 40 2HE2 GLN 5 2HE2 GLN 5 22.616 -8.874 24.469 41 H GLN 6 HN GLN 6 28.272 -11.318 27.801 42 HA GLN 6 HA GLN 6 27.389 -9.530 29.818 43 1HB GLN 6 HB2 GLN 6 29.079 -10.676 31.254 44 2HB GLN 6 HB1 GLN 6 27.974 -11.774 30.442 45 1HG GLN 6 HG2 GLN 6 30.124 -11.558 28.702 46 2HG GLN 6 HG1 GLN 6 30.857 -11.602 30.304 47 1HE2 GLN 6 1HE2 GLN 6 29.197 -13.369 27.872 48 2HE2 GLN 6 2HE2 GLN 6 29.214 -14.904 28.664 49 H ASP 7 HN ASP 7 30.460 -9.841 28.049 50 HA ASP 7 HA ASP 7 31.735 -7.690 29.416 51 1HB ASP 7 HB2 ASP 7 32.466 -8.800 26.700 52 2HB ASP 7 HB1 ASP 7 33.513 -7.921 27.809 53 H GLU 8 HN GLU 8 31.053 -7.837 25.937 54 HA GLU 8 HA GLU 8 30.891 -5.004 25.699 55 1HB GLU 8 HB2 GLU 8 30.432 -7.316 23.851 56 2HB GLU 8 HB1 GLU 8 29.888 -5.715 23.373 57 1HG GLU 8 HG2 GLU 8 32.139 -6.344 22.523 58 2HG GLU 8 HG1 GLU 8 32.100 -4.848 23.453 59 H MET 9 HN MET 9 29.246 -3.813 26.399 60 HA MET 9 HA MET 9 26.702 -4.890 27.049 61 1HB MET 9 HB2 MET 9 27.876 -2.829 28.047 62 2HB MET 9 HB1 MET 9 27.256 -1.957 26.651 63 1HG MET 9 HG2 MET 9 24.981 -3.051 27.443 64 2HG MET 9 HG1 MET 9 25.819 -3.070 28.992 65 1HE MET 9 HE3 MET 9 25.117 -0.834 25.894 66 2HE MET 9 HE2 MET 9 23.564 -0.983 26.716 67 3HE MET 9 HE1 MET 9 24.374 0.581 26.641 68 HA PRO 10 HA PRO 10 25.040 -4.750 22.880 69 1HB PRO 10 HB2 PRO 10 22.529 -5.574 23.541 70 2HB PRO 10 HB1 PRO 10 23.899 -6.678 23.377 71 1HG PRO 10 HG2 PRO 10 22.706 -5.495 25.854 72 2HG PRO 10 HG1 PRO 10 23.252 -7.155 25.558 73 1HD PRO 10 HD2 PRO 10 24.748 -5.370 26.921 74 2HD PRO 10 HD1 PRO 10 25.474 -6.618 25.889 75 H SER 11 HN SER 11 23.494 -3.509 21.715 76 HA SER 11 HA SER 11 22.976 -0.938 22.845 77 1HB SER 11 HB2 SER 11 22.269 -2.207 20.199 78 2HB SER 11 HB1 SER 11 21.765 -0.571 20.622 79 HG SER 11 HG SER 11 24.315 -1.572 20.081 80 HA PRO 12 HA PRO 12 19.062 -2.206 24.684 81 1HB PRO 12 HB2 PRO 12 18.900 0.630 25.456 82 2HB PRO 12 HB1 PRO 12 18.929 -0.810 26.476 83 1HG PRO 12 HG2 PRO 12 21.023 0.867 26.340 84 2HG PRO 12 HG1 PRO 12 21.234 -0.882 26.541 85 1HD PRO 12 HD2 PRO 12 21.514 0.790 24.070 86 2HD PRO 12 HD1 PRO 12 22.531 -0.548 24.646 87 H THR 13 HN THR 13 19.335 1.001 23.117 88 HA THR 13 HA THR 13 16.585 1.071 22.362 89 HB THR 13 HB THR 13 17.373 3.010 20.896 90 HG1 THR 13 HG1 THR 13 19.466 2.818 20.570 91 1HG2 THR 13 1HG2 THR 13 16.485 3.381 23.150 92 2HG2 THR 13 3HG2 THR 13 18.109 3.181 23.806 93 3HG2 THR 13 2HG2 THR 13 17.755 4.529 22.725 94 H PHE 14 HN PHE 14 15.898 -0.521 21.049 95 HA PHE 14 HA PHE 14 17.483 -1.433 18.811 96 1HB PHE 14 HB2 PHE 14 14.639 -2.164 19.545 97 2HB PHE 14 HB1 PHE 14 15.687 -3.025 18.422 98 HD1 PHE 14 HD1 PHE 14 14.413 -3.034 21.651 99 HD2 PHE 14 HD2 PHE 14 18.022 -3.746 19.510 100 HE1 PHE 14 HE1 PHE 14 15.231 -4.433 23.502 101 HE2 PHE 14 HE2 PHE 14 18.846 -5.148 21.356 102 HZ PHE 14 HZ PHE 14 17.449 -5.493 23.356 103 H LEU 15 HN LEU 15 14.458 0.365 19.292 104 HA LEU 15 HA LEU 15 13.797 0.684 16.574 105 1HB LEU 15 HB2 LEU 15 12.246 1.086 18.465 106 2HB LEU 15 HB1 LEU 15 13.153 2.527 18.879 107 HG LEU 15 HG LEU 15 12.256 2.525 16.099 108 1HD1 LEU 15 2HD1 LEU 15 10.386 1.275 17.039 109 2HD1 LEU 15 1HD1 LEU 15 10.179 2.505 18.285 110 3HD1 LEU 15 3HD1 LEU 15 9.897 2.909 16.590 111 1HD2 LEU 15 1HD2 LEU 15 13.194 4.454 17.350 112 2HD2 LEU 15 3HD2 LEU 15 11.610 4.776 16.642 113 3HD2 LEU 15 2HD2 LEU 15 11.754 4.446 18.369 114 H THR 16 HN THR 16 15.650 2.753 18.795 115 HA THR 16 HA THR 16 16.096 4.911 17.083 116 HB THR 16 HB THR 16 18.030 3.884 19.166 117 HG1 THR 16 HG1 THR 16 15.718 5.500 19.463 118 1HG2 THR 16 2HG2 THR 16 17.546 6.617 18.021 119 2HG2 THR 16 1HG2 THR 16 18.426 6.331 19.523 120 3HG2 THR 16 3HG2 THR 16 19.038 5.677 18.003 121 H GLN 17 HN GLN 17 17.579 1.753 17.116 122 HA GLN 17 HA GLN 17 19.969 2.333 15.768 123 1HB GLN 17 HB2 GLN 17 19.087 0.132 16.915 124 2HB GLN 17 HB1 GLN 17 18.540 -0.251 15.289 125 1HG GLN 17 HG2 GLN 17 21.378 0.455 16.003 126 2HG GLN 17 HG1 GLN 17 20.760 -1.191 15.875 127 1HE2 GLN 17 1HE2 GLN 17 19.486 -1.501 13.704 128 2HE2 GLN 17 2HE2 GLN 17 20.331 -0.962 12.298 129 H VAL 18 HN VAL 18 16.826 1.259 14.473 130 HA VAL 18 HA VAL 18 17.121 0.845 11.889 131 HB VAL 18 HB VAL 18 14.994 1.835 11.366 132 1HG1 VAL 18 2HG1 VAL 18 15.170 -0.199 12.864 133 2HG1 VAL 18 1HG1 VAL 18 14.788 0.878 14.207 134 3HG1 VAL 18 3HG1 VAL 18 13.634 0.667 12.891 135 1HG2 VAL 18 1HG2 VAL 18 15.576 3.542 13.725 136 2HG2 VAL 18 3HG2 VAL 18 14.824 3.955 12.184 137 3HG2 VAL 18 2HG2 VAL 18 13.895 3.106 13.419 138 H LYS 19 HN LYS 19 17.351 4.148 13.202 139 HA LYS 19 HA LYS 19 17.456 5.598 10.865 140 1HB LYS 19 HB2 LYS 19 18.752 5.998 13.541 141 2HB LYS 19 HB1 LYS 19 19.060 7.127 12.229 142 1HG LYS 19 HG2 LYS 19 17.286 8.206 13.068 143 2HG LYS 19 HG1 LYS 19 16.362 7.012 12.155 144 1HD LYS 19 HD2 LYS 19 16.858 5.677 14.484 145 2HD LYS 19 HD1 LYS 19 16.686 7.338 15.051 146 1HE LYS 19 HE2 LYS 19 14.506 7.518 14.159 147 2HE LYS 19 HE1 LYS 19 14.694 6.046 13.207 148 1HZ LYS 19 HZ1 LYS 19 14.820 4.802 15.318 149 2HZ LYS 19 HZ3 LYS 19 14.491 6.229 16.164 150 3HZ LYS 19 HZ2 LYS 19 13.338 5.587 15.107 151 H GLU 20 HN GLU 20 20.239 4.164 12.573 152 HA GLU 20 HA GLU 20 22.161 4.937 10.656 153 1HB GLU 20 HB2 GLU 20 22.275 2.572 12.534 154 2HB GLU 20 HB1 GLU 20 23.644 3.323 11.729 155 1HG GLU 20 HG2 GLU 20 23.877 4.398 13.679 156 2HG GLU 20 HG1 GLU 20 22.626 5.454 13.025 157 H SER 21 HN SER 21 19.988 2.230 10.881 158 HA SER 21 HA SER 21 21.192 0.518 8.991 159 1HB SER 21 HB2 SER 21 19.118 0.215 10.662 160 2HB SER 21 HB1 SER 21 18.220 0.568 9.186 161 HG SER 21 HG SER 21 19.725 -1.650 9.863 162 H LEU 22 HN LEU 22 18.766 3.084 8.658 163 HA LEU 22 HA LEU 22 18.377 2.724 5.859 164 1HB LEU 22 HB2 LEU 22 16.826 3.872 7.544 165 2HB LEU 22 HB1 LEU 22 17.869 5.271 7.382 166 HG LEU 22 HG LEU 22 16.850 4.135 4.849 167 1HD1 LEU 22 2HD1 LEU 22 14.881 3.914 6.278 168 2HD1 LEU 22 1HD1 LEU 22 15.036 5.604 6.756 169 3HD1 LEU 22 3HD1 LEU 22 14.668 5.191 5.081 170 1HD2 LEU 22 3HD2 LEU 22 17.074 6.931 5.961 171 2HD2 LEU 22 2HD2 LEU 22 18.232 6.137 4.893 172 3HD2 LEU 22 1HD2 LEU 22 16.610 6.513 4.311 173 H SER 23 HN SER 23 20.482 4.786 7.816 174 HA SER 23 HA SER 23 21.415 6.479 5.796 175 1HB SER 23 HB2 SER 23 22.912 5.492 8.236 176 2HB SER 23 HB1 SER 23 23.349 6.895 7.264 177 HG SER 23 HG SER 23 21.364 6.600 9.158 178 H SER 24 HN SER 24 22.873 3.473 7.037 179 HA SER 24 HA SER 24 24.961 3.371 5.137 180 1HB SER 24 HB2 SER 24 25.166 0.983 5.826 181 2HB SER 24 HB1 SER 24 25.103 2.090 7.196 182 HG SER 24 HG SER 24 23.210 1.303 7.765 183 H TYR 25 HN TYR 25 21.605 2.687 4.874 184 HA TYR 25 HA TYR 25 21.859 0.875 2.636 185 1HB TYR 25 HB2 TYR 25 19.961 0.806 4.305 186 2HB TYR 25 HB1 TYR 25 19.367 2.299 3.587 187 HD1 TYR 25 HD1 TYR 25 18.344 2.305 1.392 188 HD2 TYR 25 HD2 TYR 25 19.843 -1.302 3.080 189 HE1 TYR 25 HE1 TYR 25 17.129 1.010 -0.310 190 HE2 TYR 25 HE2 TYR 25 18.634 -2.605 1.382 191 HH TYR 25 HH TYR 25 17.696 -1.741 -1.281 192 H TRP 26 HN TRP 26 21.014 4.277 3.166 193 HA TRP 26 HA TRP 26 20.330 4.894 0.504 194 1HB TRP 26 HB2 TRP 26 20.272 6.254 2.881 195 2HB TRP 26 HB1 TRP 26 21.579 7.073 2.033 196 HD1 TRP 26 HD1 TRP 26 17.855 6.897 2.220 197 HE1 TRP 26 HE1 TRP 26 16.810 8.419 0.428 198 HE3 TRP 26 HE3 TRP 26 22.044 7.904 -0.532 199 HZ2 TRP 26 HZ2 TRP 26 17.652 9.857 -1.853 200 HZ3 TRP 26 HZ3 TRP 26 21.838 9.359 -2.503 201 HH2 TRP 26 HH2 TRP 26 19.687 10.315 -3.150 202 H GLU 27 HN GLU 27 23.400 4.891 2.217 203 HA GLU 27 HA GLU 27 25.121 6.248 0.629 204 1HB GLU 27 HB2 GLU 27 25.352 3.836 2.314 205 2HB GLU 27 HB1 GLU 27 26.624 4.028 1.117 206 1HG GLU 27 HG2 GLU 27 27.611 5.636 2.281 207 2HG GLU 27 HG1 GLU 27 26.093 6.500 2.523 208 H SER 28 HN SER 28 24.326 2.812 0.157 209 HA SER 28 HA SER 28 25.405 2.870 -2.539 210 1HB SER 28 HB2 SER 28 24.900 0.448 -2.543 211 2HB SER 28 HB1 SER 28 25.872 0.916 -1.149 212 HG SER 28 HG SER 28 24.255 0.461 0.151 213 H ALA 29 HN ALA 29 22.385 3.415 -1.043 214 HA ALA 29 HA ALA 29 20.598 2.342 -2.926 215 1HB ALA 29 HB1 ALA 29 19.937 3.212 -0.707 216 2HB ALA 29 HB3 ALA 29 20.198 4.850 -1.305 217 3HB ALA 29 HB2 ALA 29 18.945 3.838 -2.022 218 H LYS 30 HN LYS 30 22.452 5.341 -2.957 219 HA LYS 30 HA LYS 30 21.120 6.750 -4.930 220 1HB LYS 30 HB2 LYS 30 23.300 7.278 -3.503 221 2HB LYS 30 HB1 LYS 30 24.100 6.768 -4.983 222 1HG LYS 30 HG2 LYS 30 23.241 8.537 -6.211 223 2HG LYS 30 HG1 LYS 30 21.929 8.822 -5.065 224 1HD LYS 30 HD2 LYS 30 23.669 9.516 -3.394 225 2HD LYS 30 HD1 LYS 30 24.858 9.431 -4.696 226 1HE LYS 30 HE2 LYS 30 24.264 11.677 -4.672 227 2HE LYS 30 HE1 LYS 30 23.258 11.013 -5.958 228 1HZ LYS 30 HZ3 LYS 30 22.363 11.477 -3.162 229 2HZ LYS 30 HZ2 LYS 30 22.020 12.488 -4.474 230 3HZ LYS 30 HZ1 LYS 30 21.403 10.914 -4.438 231 H THR 31 HN THR 31 23.749 4.393 -5.394 232 HA THR 31 HA THR 31 23.986 4.440 -8.138 233 HB THR 31 HB THR 31 24.021 1.877 -6.536 234 HG1 THR 31 HG1 THR 31 25.481 2.823 -5.371 235 1HG2 THR 31 1HG2 THR 31 25.628 2.784 -8.910 236 2HG2 THR 31 3HG2 THR 31 25.889 1.290 -8.013 237 3HG2 THR 31 2HG2 THR 31 24.381 1.537 -8.893 238 H ALA 32 HN ALA 32 21.560 2.874 -6.134 239 HA ALA 32 HA ALA 32 20.277 1.382 -8.152 240 1HB ALA 32 HB2 ALA 32 18.710 2.525 -5.885 241 2HB ALA 32 HB1 ALA 32 18.653 0.912 -6.596 242 3HB ALA 32 HB3 ALA 32 19.993 1.364 -5.543 243 H ALA 33 HN ALA 33 19.800 4.710 -6.983 244 HA ALA 33 HA ALA 33 17.498 5.403 -8.331 245 1HB ALA 33 HB1 ALA 33 18.854 6.828 -6.727 246 2HB ALA 33 HB3 ALA 33 19.842 7.271 -8.120 247 3HB ALA 33 HB2 ALA 33 18.122 7.666 -8.096 248 H GLN 34 HN GLN 34 20.812 5.766 -9.588 249 HA GLN 34 HA GLN 34 19.990 6.532 -12.184 250 1HB GLN 34 HB2 GLN 34 22.312 6.783 -11.103 251 2HB GLN 34 HB1 GLN 34 22.574 5.106 -11.561 252 1HG GLN 34 HG2 GLN 34 21.710 7.103 -13.607 253 2HG GLN 34 HG1 GLN 34 23.398 7.014 -13.107 254 1HE2 GLN 34 1HE2 GLN 34 24.223 4.644 -13.052 255 2HE2 GLN 34 2HE2 GLN 34 23.851 3.709 -14.456 256 H ASN 35 HN ASN 35 20.698 3.439 -10.656 257 HA ASN 35 HA ASN 35 20.591 1.829 -12.969 258 1HB ASN 35 HB2 ASN 35 21.296 1.282 -10.474 259 2HB ASN 35 HB1 ASN 35 19.624 0.744 -10.360 260 1HD2 ASN 35 1HD2 ASN 35 18.912 -0.924 -11.815 261 2HD2 ASN 35 2HD2 ASN 35 20.050 -2.066 -12.436 262 H LEU 36 HN LEU 36 18.103 3.301 -11.083 263 HA LEU 36 HA LEU 36 15.898 1.699 -11.700 264 1HB LEU 36 HB2 LEU 36 16.082 3.765 -10.131 265 2HB LEU 36 HB1 LEU 36 15.740 4.703 -11.572 266 HG LEU 36 HG LEU 36 13.871 2.480 -10.959 267 1HD1 LEU 36 2HD1 LEU 36 14.278 3.457 -8.746 268 2HD1 LEU 36 1HD1 LEU 36 13.882 5.051 -9.384 269 3HD1 LEU 36 3HD1 LEU 36 12.647 3.793 -9.324 270 1HD2 LEU 36 1HD2 LEU 36 13.534 5.329 -11.895 271 2HD2 LEU 36 3HD2 LEU 36 13.547 3.889 -12.913 272 3HD2 LEU 36 2HD2 LEU 36 12.242 4.136 -11.753 273 H TYR 37 HN TYR 37 17.369 4.452 -13.317 274 HA TYR 37 HA TYR 37 15.669 4.495 -15.590 275 1HB TYR 37 HB2 TYR 37 18.513 5.476 -15.227 276 2HB TYR 37 HB1 TYR 37 17.534 5.795 -16.655 277 HD1 TYR 37 HD1 TYR 37 15.566 7.276 -16.503 278 HD2 TYR 37 HD2 TYR 37 18.159 6.679 -13.182 279 HE1 TYR 37 HE1 TYR 37 14.624 9.270 -15.415 280 HE2 TYR 37 HE2 TYR 37 17.224 8.671 -12.086 281 HH TYR 37 HH TYR 37 15.804 10.990 -13.378 282 H GLU 38 HN GLU 38 18.668 2.813 -14.790 283 HA GLU 38 HA GLU 38 19.278 1.756 -17.311 284 1HB GLU 38 HB2 GLU 38 20.842 1.662 -15.433 285 2HB GLU 38 HB1 GLU 38 19.785 0.540 -14.590 286 1HG GLU 38 HG2 GLU 38 20.465 -0.414 -17.235 287 2HG GLU 38 HG1 GLU 38 21.898 -0.098 -16.258 288 H LYS 39 HN LYS 39 17.525 0.153 -14.663 289 HA LYS 39 HA LYS 39 16.818 -2.144 -16.094 290 1HB LYS 39 HB2 LYS 39 16.683 -1.562 -13.537 291 2HB LYS 39 HB1 LYS 39 15.040 -1.080 -13.937 292 1HG LYS 39 HG2 LYS 39 15.742 -3.688 -15.019 293 2HG LYS 39 HG1 LYS 39 15.874 -3.610 -13.261 294 1HD LYS 39 HD2 LYS 39 13.628 -3.174 -12.977 295 2HD LYS 39 HD1 LYS 39 13.450 -2.486 -14.592 296 1HE LYS 39 HE2 LYS 39 12.363 -4.518 -14.798 297 2HE LYS 39 HE1 LYS 39 13.975 -4.891 -15.404 298 1HZ LYS 39 HZ1 LYS 39 13.099 -5.396 -12.612 299 2HZ LYS 39 HZ3 LYS 39 13.065 -6.561 -13.838 300 3HZ LYS 39 HZ2 LYS 39 14.540 -5.905 -13.337 301 H THR 40 HN THR 40 15.648 1.031 -16.508 302 HA THR 40 HA THR 40 12.950 0.500 -17.163 303 HB THR 40 HB THR 40 14.700 2.680 -18.313 304 HG1 THR 40 HG1 THR 40 13.215 2.602 -15.899 305 1HG2 THR 40 1HG2 THR 40 11.721 2.522 -17.938 306 2HG2 THR 40 3HG2 THR 40 12.607 3.978 -18.387 307 3HG2 THR 40 2HG2 THR 40 12.600 2.583 -19.466 308 H TYR 41 HN TYR 41 15.736 1.021 -19.294 309 HA TYR 41 HA TYR 41 14.429 0.180 -21.660 310 1HB TYR 41 HB2 TYR 41 16.507 1.612 -21.516 311 2HB TYR 41 HB1 TYR 41 17.409 0.142 -21.162 312 HD1 TYR 41 HD1 TYR 41 17.991 -1.393 -22.894 313 HD2 TYR 41 HD2 TYR 41 15.420 1.891 -23.735 314 HE1 TYR 41 HE1 TYR 41 18.237 -1.825 -25.301 315 HE2 TYR 41 HE2 TYR 41 15.658 1.468 -26.146 316 HH TYR 41 HH TYR 41 16.411 -1.050 -27.507 317 H LEU 42 HN LEU 42 16.471 -1.526 -19.320 318 HA LEU 42 HA LEU 42 16.755 -3.926 -20.774 319 1HB LEU 42 HB2 LEU 42 17.154 -3.082 -17.957 320 2HB LEU 42 HB1 LEU 42 17.023 -4.803 -18.264 321 HG LEU 42 HG LEU 42 18.856 -4.367 -20.065 322 1HD1 LEU 42 2HD1 LEU 42 18.771 -1.929 -19.938 323 2HD1 LEU 42 1HD1 LEU 42 19.261 -1.999 -18.246 324 3HD1 LEU 42 3HD1 LEU 42 20.367 -2.542 -19.506 325 1HD2 LEU 42 3HD2 LEU 42 19.249 -4.461 -17.091 326 2HD2 LEU 42 2HD2 LEU 42 19.373 -5.772 -18.265 327 3HD2 LEU 42 1HD2 LEU 42 20.610 -4.516 -18.212 328 HA PRO 43 HA PRO 43 12.757 -5.745 -19.996 329 1HB PRO 43 HB2 PRO 43 13.087 -7.976 -21.411 330 2HB PRO 43 HB1 PRO 43 13.078 -6.396 -22.204 331 1HG PRO 43 HG2 PRO 43 15.374 -8.181 -21.564 332 2HG PRO 43 HG1 PRO 43 15.137 -7.109 -22.953 333 1HD PRO 43 HD2 PRO 43 16.643 -6.556 -20.628 334 2HD PRO 43 HD1 PRO 43 16.186 -5.402 -21.895 335 H ALA 44 HN ALA 44 14.814 -6.106 -17.886 336 HA ALA 44 HA ALA 44 15.029 -8.815 -17.120 337 1HB ALA 44 HB2 ALA 44 15.410 -6.215 -15.693 338 2HB ALA 44 HB1 ALA 44 15.483 -7.742 -14.812 339 3HB ALA 44 HB3 ALA 44 16.604 -7.435 -16.138 340 H VAL 45 HN VAL 45 12.373 -6.675 -16.961 341 HA VAL 45 HA VAL 45 10.961 -7.087 -14.736 342 HB VAL 45 HB VAL 45 9.798 -7.311 -17.516 343 1HG1 VAL 45 2HG1 VAL 45 8.522 -6.865 -14.831 344 2HG1 VAL 45 1HG1 VAL 45 7.745 -6.376 -16.338 345 3HG1 VAL 45 3HG1 VAL 45 8.123 -8.075 -16.051 346 1HG2 VAL 45 2HG2 VAL 45 10.460 -4.977 -15.747 347 2HG2 VAL 45 1HG2 VAL 45 10.909 -5.252 -17.430 348 3HG2 VAL 45 3HG2 VAL 45 9.241 -4.859 -17.016 349 H ASP 46 HN ASP 46 10.434 -9.321 -17.482 350 HA ASP 46 HA ASP 46 9.111 -11.248 -15.878 351 1HB ASP 46 HB2 ASP 46 8.891 -10.901 -18.392 352 2HB ASP 46 HB1 ASP 46 10.402 -11.790 -18.549 353 H GLU 47 HN GLU 47 12.479 -10.792 -16.753 354 HA GLU 47 HA GLU 47 13.369 -13.422 -16.131 355 1HB GLU 47 HB2 GLU 47 14.783 -12.062 -17.478 356 2HB GLU 47 HB1 GLU 47 14.778 -10.758 -16.300 357 1HG GLU 47 HG2 GLU 47 15.809 -13.072 -15.028 358 2HG GLU 47 HG1 GLU 47 16.618 -12.897 -16.583 359 H LYS 48 HN LYS 48 13.576 -10.382 -14.264 360 HA LYS 48 HA LYS 48 14.614 -11.462 -11.909 361 1HB LYS 48 HB2 LYS 48 14.148 -8.971 -12.700 362 2HB LYS 48 HB1 LYS 48 12.691 -9.188 -11.741 363 1HG LYS 48 HG2 LYS 48 13.996 -8.412 -10.088 364 2HG LYS 48 HG1 LYS 48 14.524 -10.093 -9.997 365 1HD LYS 48 HD2 LYS 48 15.905 -8.145 -11.811 366 2HD LYS 48 HD1 LYS 48 16.308 -8.219 -10.096 367 1HE LYS 48 HE2 LYS 48 16.327 -10.634 -11.893 368 2HE LYS 48 HE1 LYS 48 17.743 -9.615 -11.642 369 1HZ LYS 48 HZ3 LYS 48 17.476 -10.068 -9.218 370 2HZ LYS 48 HZ2 LYS 48 16.295 -11.215 -9.607 371 3HZ LYS 48 HZ1 LYS 48 17.885 -11.425 -10.142 372 H LEU 49 HN LEU 49 11.365 -11.505 -13.166 373 HA LEU 49 HA LEU 49 9.960 -12.006 -10.773 374 1HB LEU 49 HB2 LEU 49 9.396 -12.021 -13.613 375 2HB LEU 49 HB1 LEU 49 8.634 -13.389 -12.826 376 HG LEU 49 HG LEU 49 7.094 -11.520 -12.947 377 1HD1 LEU 49 3HD1 LEU 49 7.144 -13.056 -10.945 378 2HD1 LEU 49 2HD1 LEU 49 7.990 -11.768 -10.087 379 3HD1 LEU 49 1HD1 LEU 49 6.360 -11.495 -10.703 380 1HD2 LEU 49 3HD2 LEU 49 9.340 -10.031 -11.640 381 2HD2 LEU 49 2HD2 LEU 49 8.382 -9.591 -13.052 382 3HD2 LEU 49 1HD2 LEU 49 7.669 -9.505 -11.442 383 H ARG 50 HN ARG 50 10.908 -14.287 -13.344 384 HA ARG 50 HA ARG 50 10.419 -16.613 -11.826 385 1HB ARG 50 HB2 ARG 50 11.917 -16.007 -14.343 386 2HB ARG 50 HB1 ARG 50 12.141 -17.576 -13.583 387 1HG ARG 50 HG2 ARG 50 10.244 -18.316 -14.447 388 2HG ARG 50 HG1 ARG 50 9.347 -16.979 -13.726 389 1HD ARG 50 HD2 ARG 50 10.427 -15.645 -15.740 390 2HD ARG 50 HD1 ARG 50 10.496 -17.255 -16.457 391 HE ARG 50 HE ARG 50 8.197 -17.267 -16.619 392 1HH1 ARG 50 1HH1 ARG 50 9.214 -14.494 -14.737 393 2HH1 ARG 50 2HH1 ARG 50 7.654 -13.747 -14.770 394 1HH2 ARG 50 1HH2 ARG 50 6.144 -16.274 -16.659 395 2HH2 ARG 50 2HH2 ARG 50 5.911 -14.756 -15.858 396 H ASP 51 HN ASP 51 13.181 -14.473 -12.113 397 HA ASP 51 HA ASP 51 15.206 -16.087 -11.076 398 1HB ASP 51 HB2 ASP 51 14.734 -13.119 -11.020 399 2HB ASP 51 HB1 ASP 51 16.116 -13.816 -10.189 400 H LEU 52 HN LEU 52 13.228 -13.724 -9.275 401 HA LEU 52 HA LEU 52 14.111 -14.569 -6.722 402 1HB LEU 52 HB2 LEU 52 13.000 -12.355 -7.407 403 2HB LEU 52 HB1 LEU 52 11.480 -13.214 -7.254 404 HG LEU 52 HG LEU 52 12.382 -13.796 -4.857 405 1HD1 LEU 52 2HD1 LEU 52 14.608 -12.855 -5.195 406 2HD1 LEU 52 1HD1 LEU 52 13.897 -11.269 -5.498 407 3HD1 LEU 52 3HD1 LEU 52 13.746 -12.013 -3.907 408 1HD2 LEU 52 2HD2 LEU 52 10.372 -12.492 -5.343 409 2HD2 LEU 52 1HD2 LEU 52 11.271 -11.809 -3.988 410 3HD2 LEU 52 3HD2 LEU 52 11.363 -11.051 -5.578 411 H TYR 53 HN TYR 53 11.675 -15.789 -8.878 412 HA TYR 53 HA TYR 53 10.041 -17.099 -6.967 413 1HB TYR 53 HB2 TYR 53 10.364 -17.151 -9.908 414 2HB TYR 53 HB1 TYR 53 9.706 -18.618 -9.195 415 HD1 TYR 53 HD1 TYR 53 8.642 -15.981 -10.910 416 HD2 TYR 53 HD2 TYR 53 7.992 -17.692 -7.068 417 HE1 TYR 53 HE1 TYR 53 6.420 -14.934 -10.826 418 HE2 TYR 53 HE2 TYR 53 5.769 -16.649 -6.974 419 HH TYR 53 HH TYR 53 4.784 -14.274 -8.441 420 H SER 54 HN SER 54 12.817 -18.173 -8.910 421 HA SER 54 HA SER 54 12.818 -20.863 -8.101 422 1HB SER 54 HB2 SER 54 15.056 -19.063 -9.047 423 2HB SER 54 HB1 SER 54 15.266 -20.788 -8.754 424 HG SER 54 HG SER 54 14.102 -21.245 -10.485 425 H LYS 55 HN LYS 55 14.604 -18.063 -6.804 426 HA LYS 55 HA LYS 55 15.926 -19.435 -4.734 427 1HB LYS 55 HB2 LYS 55 15.313 -16.590 -5.346 428 2HB LYS 55 HB1 LYS 55 15.759 -16.971 -3.689 429 1HG LYS 55 HG2 LYS 55 17.823 -16.549 -4.507 430 2HG LYS 55 HG1 LYS 55 17.725 -18.262 -4.923 431 1HD LYS 55 HD2 LYS 55 16.531 -16.934 -7.064 432 2HD LYS 55 HD1 LYS 55 17.934 -15.949 -6.648 433 1HE LYS 55 HE2 LYS 55 18.934 -17.423 -8.067 434 2HE LYS 55 HE1 LYS 55 19.110 -18.322 -6.562 435 1HZ LYS 55 HZ2 LYS 55 17.034 -19.507 -7.142 436 2HZ LYS 55 HZ1 LYS 55 17.029 -18.724 -8.641 437 3HZ LYS 55 HZ3 LYS 55 18.287 -19.783 -8.243 438 H SER 56 HN SER 56 12.841 -17.671 -4.783 439 HA SER 56 HA SER 56 12.223 -17.944 -2.058 440 1HB SER 56 HB2 SER 56 10.541 -17.466 -4.505 441 2HB SER 56 HB1 SER 56 9.811 -17.611 -2.907 442 HG SER 56 HG SER 56 11.428 -15.602 -3.954 443 H THR 57 HN THR 57 12.168 -20.362 -4.528 444 HA THR 57 HA THR 57 10.053 -21.970 -3.685 445 HB THR 57 HB THR 57 12.692 -22.918 -4.821 446 HG1 THR 57 HG1 THR 57 10.357 -21.970 -6.120 447 1HG2 THR 57 2HG2 THR 57 9.949 -24.150 -4.887 448 2HG2 THR 57 1HG2 THR 57 11.321 -24.694 -5.852 449 3HG2 THR 57 3HG2 THR 57 11.388 -24.790 -4.093 450 H ALA 58 HN ALA 58 13.511 -22.305 -2.827 451 HA ALA 58 HA ALA 58 12.816 -24.080 -0.632 452 1HB ALA 58 HB3 ALA 58 14.742 -24.624 -2.025 453 2HB ALA 58 HB2 ALA 58 15.512 -23.105 -1.567 454 3HB ALA 58 HB1 ALA 58 15.227 -24.351 -0.352 455 H ALA 59 HN ALA 59 14.239 -20.862 -1.092 456 HA ALA 59 HA ALA 59 14.851 -20.330 1.596 457 1HB ALA 59 HB3 ALA 59 15.044 -18.013 0.942 458 2HB ALA 59 HB1 ALA 59 14.148 -18.329 -0.545 459 3HB ALA 59 HB2 ALA 59 15.741 -19.046 -0.306 460 H MET 60 HN MET 60 12.084 -19.038 -0.279 461 HA MET 60 HA MET 60 10.768 -17.928 1.934 462 1HB MET 60 HB2 MET 60 10.407 -17.688 -0.690 463 2HB MET 60 HB1 MET 60 9.145 -18.870 -0.374 464 1HG MET 60 HG2 MET 60 8.026 -16.864 -0.197 465 2HG MET 60 HG1 MET 60 8.398 -17.250 1.482 466 1HE MET 60 HE1 MET 60 9.323 -15.995 2.977 467 2HE MET 60 HE3 MET 60 11.037 -15.835 2.596 468 3HE MET 60 HE2 MET 60 10.047 -14.394 2.827 469 H SER 61 HN SER 61 10.888 -21.227 0.855 470 HA SER 61 HA SER 61 8.439 -22.115 1.964 471 1HB SER 61 HB2 SER 61 9.694 -23.422 0.299 472 2HB SER 61 HB1 SER 61 10.979 -23.688 1.476 473 HG SER 61 HG SER 61 8.457 -24.837 1.294 474 H THR 62 HN THR 62 11.363 -21.161 3.464 475 HA THR 62 HA THR 62 10.718 -22.635 5.918 476 HB THR 62 HB THR 62 12.969 -21.969 6.691 477 HG1 THR 62 HG1 THR 62 13.684 -20.236 5.733 478 1HG2 THR 62 3HG2 THR 62 12.724 -24.065 5.418 479 2HG2 THR 62 2HG2 THR 62 13.117 -23.180 3.944 480 3HG2 THR 62 1HG2 THR 62 14.310 -23.316 5.236 481 H TYR 63 HN TYR 63 11.541 -19.352 4.810 482 HA TYR 63 HA TYR 63 11.006 -18.061 7.245 483 1HB TYR 63 HB2 TYR 63 10.895 -16.885 4.461 484 2HB TYR 63 HB1 TYR 63 11.074 -15.991 5.966 485 HD1 TYR 63 HD1 TYR 63 13.152 -16.978 7.449 486 HD2 TYR 63 HD2 TYR 63 12.811 -17.099 3.211 487 HE1 TYR 63 HE1 TYR 63 15.597 -17.157 7.264 488 HE2 TYR 63 HE2 TYR 63 15.255 -17.279 3.013 489 HH TYR 63 HH TYR 63 17.327 -16.451 4.987 490 H THR 64 HN THR 64 8.919 -19.249 4.737 491 HA THR 64 HA THR 64 6.731 -17.514 5.295 492 HB THR 64 HB THR 64 6.978 -20.131 3.843 493 HG1 THR 64 HG1 THR 64 6.206 -17.509 3.085 494 1HG2 THR 64 1HG2 THR 64 4.417 -18.731 4.537 495 2HG2 THR 64 3HG2 THR 64 4.580 -19.775 3.125 496 3HG2 THR 64 2HG2 THR 64 4.831 -20.433 4.741 497 H GLY 65 HN GLY 65 7.238 -20.942 6.115 498 1HA GLY 65 HA1 GLY 65 6.466 -22.182 7.892 499 2HA GLY 65 HA2 GLY 65 5.091 -21.085 7.943 500 H ILE 66 HN ILE 66 8.503 -20.264 8.313 501 HA ILE 66 HA ILE 66 8.555 -20.140 11.138 502 HB ILE 66 HB ILE 66 10.298 -18.884 9.027 503 1HG1 ILE 66 2HG1 ILE 66 10.439 -21.337 9.416 504 2HG1 ILE 66 1HG1 ILE 66 11.941 -20.497 9.785 505 1HG2 ILE 66 1HG2 ILE 66 10.402 -18.508 11.999 506 2HG2 ILE 66 3HG2 ILE 66 11.859 -18.404 11.010 507 3HG2 ILE 66 2HG2 ILE 66 10.516 -17.298 10.722 508 1HD1 ILE 66 3HD1 ILE 66 11.380 -20.583 12.170 509 2HD1 ILE 66 2HD1 ILE 66 9.904 -21.466 11.778 510 3HD1 ILE 66 1HD1 ILE 66 11.479 -22.187 11.445 511 H PHE 67 HN PHE 67 8.411 -17.492 8.742 512 HA PHE 67 HA PHE 67 8.032 -15.367 10.469 513 1HB PHE 67 HB2 PHE 67 8.405 -15.010 8.097 514 2HB PHE 67 HB1 PHE 67 6.859 -15.755 7.706 515 HD1 PHE 67 HD1 PHE 67 8.434 -12.831 9.331 516 HD2 PHE 67 HD2 PHE 67 4.869 -14.502 7.714 517 HE1 PHE 67 HE1 PHE 67 7.346 -10.629 9.465 518 HE2 PHE 67 HE2 PHE 67 3.776 -12.302 7.844 519 HZ PHE 67 HZ PHE 67 5.013 -10.362 8.720 520 H THR 68 HN THR 68 5.455 -17.196 8.819 521 HA THR 68 HA THR 68 3.332 -15.965 10.192 522 HB THR 68 HB THR 68 3.302 -18.710 8.939 523 HG1 THR 68 HG1 THR 68 3.001 -16.158 7.741 524 1HG2 THR 68 3HG2 THR 68 1.144 -16.704 9.499 525 2HG2 THR 68 2HG2 THR 68 0.958 -18.009 8.328 526 3HG2 THR 68 1HG2 THR 68 1.246 -18.384 10.027 527 H ASP 69 HN ASP 69 5.502 -18.450 11.148 528 HA ASP 69 HA ASP 69 3.933 -19.895 12.958 529 1HB ASP 69 HB2 ASP 69 6.629 -19.863 12.251 530 2HB ASP 69 HB1 ASP 69 6.631 -19.466 13.966 531 H GLN 70 HN GLN 70 6.100 -17.150 13.684 532 HA GLN 70 HA GLN 70 5.134 -16.833 16.339 533 1HB GLN 70 HB2 GLN 70 7.390 -16.086 15.363 534 2HB GLN 70 HB1 GLN 70 6.521 -14.686 14.751 535 1HG GLN 70 HG2 GLN 70 5.943 -15.091 17.538 536 2HG GLN 70 HG1 GLN 70 7.683 -15.009 17.266 537 1HE2 GLN 70 1HE2 GLN 70 4.782 -13.259 17.511 538 2HE2 GLN 70 2HE2 GLN 70 5.409 -11.701 17.106 539 H VAL 71 HN VAL 71 4.076 -15.641 13.261 540 HA VAL 71 HA VAL 71 2.590 -13.395 14.173 541 HB VAL 71 HB VAL 71 2.257 -15.071 11.671 542 1HG1 VAL 71 3HG1 VAL 71 0.921 -12.517 12.531 543 2HG1 VAL 71 2HG1 VAL 71 1.038 -13.002 10.839 544 3HG1 VAL 71 1HG1 VAL 71 0.173 -14.020 11.990 545 1HG2 VAL 71 2HG2 VAL 71 4.366 -13.539 12.245 546 2HG2 VAL 71 1HG2 VAL 71 3.719 -13.693 10.612 547 3HG2 VAL 71 3HG2 VAL 71 3.294 -12.296 11.601 548 H LEU 72 HN LEU 72 1.656 -16.680 13.218 549 HA LEU 72 HA LEU 72 -1.034 -16.568 13.981 550 1HB LEU 72 HB2 LEU 72 0.459 -18.419 12.742 551 2HB LEU 72 HB1 LEU 72 0.449 -19.119 14.350 552 HG LEU 72 HG LEU 72 -2.167 -18.306 13.187 553 1HD1 LEU 72 3HD1 LEU 72 -1.070 -19.431 11.319 554 2HD1 LEU 72 2HD1 LEU 72 -0.691 -20.803 12.362 555 3HD1 LEU 72 1HD1 LEU 72 -2.371 -20.418 11.986 556 1HD2 LEU 72 1HD2 LEU 72 -1.181 -20.546 14.943 557 2HD2 LEU 72 3HD2 LEU 72 -2.182 -19.170 15.407 558 3HD2 LEU 72 2HD2 LEU 72 -2.837 -20.420 14.351 559 H SER 73 HN SER 73 1.926 -17.162 15.773 560 HA SER 73 HA SER 73 0.824 -18.140 18.153 561 1HB SER 73 HB2 SER 73 3.320 -17.903 17.433 562 2HB SER 73 HB1 SER 73 3.205 -16.307 18.172 563 HG SER 73 HG SER 73 3.910 -17.797 19.702 564 H VAL 74 HN VAL 74 1.210 -14.855 16.972 565 HA VAL 74 HA VAL 74 0.397 -13.591 19.404 566 HB VAL 74 HB VAL 74 0.239 -12.426 16.619 567 1HG1 VAL 74 1HG1 VAL 74 0.046 -11.324 19.373 568 2HG1 VAL 74 3HG1 VAL 74 0.831 -10.343 18.136 569 3HG1 VAL 74 2HG1 VAL 74 -0.833 -10.879 17.910 570 1HG2 VAL 74 2HG2 VAL 74 2.558 -13.080 18.282 571 2HG2 VAL 74 1HG2 VAL 74 2.459 -12.734 16.556 572 3HG2 VAL 74 3HG2 VAL 74 2.523 -11.410 17.718 573 H LEU 75 HN LEU 75 -1.286 -15.216 16.889 574 HA LEU 75 HA LEU 75 -3.758 -13.846 16.974 575 1HB LEU 75 HB2 LEU 75 -2.794 -15.746 15.370 576 2HB LEU 75 HB1 LEU 75 -3.710 -16.773 16.455 577 HG LEU 75 HG LEU 75 -5.716 -15.292 15.952 578 1HD1 LEU 75 2HD1 LEU 75 -3.907 -14.377 13.720 579 2HD1 LEU 75 1HD1 LEU 75 -5.633 -14.040 13.849 580 3HD1 LEU 75 3HD1 LEU 75 -4.514 -13.383 15.044 581 1HD2 LEU 75 3HD2 LEU 75 -5.447 -17.532 15.021 582 2HD2 LEU 75 2HD2 LEU 75 -6.194 -16.443 13.852 583 3HD2 LEU 75 1HD2 LEU 75 -4.490 -16.872 13.694 584 H LYS 76 HN LYS 76 -2.381 -16.456 18.833 585 HA LYS 76 HA LYS 76 -4.751 -17.096 20.292 586 1HB LYS 76 HB2 LYS 76 -2.290 -18.280 19.983 587 2HB LYS 76 HB1 LYS 76 -2.201 -17.672 21.630 588 1HG LYS 76 HG2 LYS 76 -4.570 -19.253 20.718 589 2HG LYS 76 HG1 LYS 76 -3.081 -20.057 21.218 590 1HD LYS 76 HD2 LYS 76 -3.219 -19.155 23.404 591 2HD LYS 76 HD1 LYS 76 -4.479 -18.015 22.930 592 1HE LYS 76 HE2 LYS 76 -5.916 -20.038 22.411 593 2HE LYS 76 HE1 LYS 76 -4.691 -20.999 23.237 594 1HZ LYS 76 HZ2 LYS 76 -5.054 -19.669 25.229 595 2HZ LYS 76 HZ1 LYS 76 -6.243 -18.767 24.434 596 3HZ LYS 76 HZ3 LYS 76 -6.487 -20.415 24.730 597 H GLY 77 HN GLY 77 -1.958 -14.998 20.894 598 1HA GLY 77 HA1 GLY 77 -1.587 -13.355 22.452 599 2HA GLY 77 HA2 GLY 77 -2.565 -14.309 23.558 600 H GLU 78 HN GLU 78 -3.476 -12.749 20.490 601 HA GLU 78 HA GLU 78 -4.914 -10.633 21.791 602 1HB GLU 78 HB2 GLU 78 -5.107 -11.515 18.906 603 2HB GLU 78 HB1 GLU 78 -5.602 -9.964 19.566 604 1HG GLU 78 HG2 GLU 78 -3.424 -9.225 19.808 605 2HG GLU 78 HG1 GLU 78 -2.759 -10.856 19.788 606 H GLU 79 HN GLU 79 -5.939 -13.404 19.781 607 HA GLU 79 HA GLU 79 -8.644 -13.154 20.887 608 1HB GLU 79 HB2 GLU 79 -7.749 -14.915 18.601 609 2HB GLU 79 HB1 GLU 79 -9.398 -14.492 19.039 610 1HG GLU 79 HG2 GLU 79 -9.299 -12.830 17.588 611 2HG GLU 79 HG1 GLU 79 -8.090 -12.058 18.612 No H/Q in entry = 611 Start of MODEL 26 1 H1 THR 1 HT2 THR 1 2.412 3.170 34.677 2 H2 THR 1 HT1 THR 1 3.676 2.353 33.853 3 H3 THR 1 HT3 THR 1 2.352 2.993 32.972 4 HA THR 1 HA THR 1 0.869 1.469 33.930 5 HB THR 1 HB THR 1 1.952 -0.667 33.126 6 HG1 THR 1 HG1 THR 1 4.035 -0.698 33.143 7 1HG2 THR 1 3HG2 THR 1 0.848 0.940 31.564 8 2HG2 THR 1 2HG2 THR 1 2.444 1.612 31.234 9 3HG2 THR 1 1HG2 THR 1 2.097 -0.072 30.841 10 H GLN 2 HN GLN 2 0.504 -0.422 35.267 11 HA GLN 2 HA GLN 2 1.583 -0.136 37.876 12 1HB GLN 2 HB2 GLN 2 -0.258 -2.122 36.578 13 2HB GLN 2 HB1 GLN 2 0.343 -2.405 38.206 14 1HG GLN 2 HG2 GLN 2 -1.715 -1.372 38.522 15 2HG GLN 2 HG1 GLN 2 -0.542 -0.076 38.753 16 1HE2 GLN 2 1HE2 GLN 2 -2.797 -1.495 36.448 17 2HE2 GLN 2 2HE2 GLN 2 -3.071 -0.047 35.547 18 H GLN 3 HN GLN 3 1.954 -2.682 35.409 19 HA GLN 3 HA GLN 3 4.131 -3.875 36.951 20 1HB GLN 3 HB2 GLN 3 2.139 -4.902 35.215 21 2HB GLN 3 HB1 GLN 3 3.687 -5.177 34.432 22 1HG GLN 3 HG2 GLN 3 4.110 -5.929 37.067 23 2HG GLN 3 HG1 GLN 3 2.491 -6.517 36.692 24 1HE2 GLN 3 1HE2 GLN 3 5.626 -7.386 36.717 25 2HE2 GLN 3 2HE2 GLN 3 5.621 -8.585 35.474 26 HA PRO 4 HA PRO 4 7.305 -2.027 34.504 27 1HB PRO 4 HB2 PRO 4 9.257 -3.898 34.672 28 2HB PRO 4 HB1 PRO 4 8.798 -2.876 36.038 29 1HG PRO 4 HG2 PRO 4 7.998 -5.698 35.434 30 2HG PRO 4 HG1 PRO 4 8.492 -4.982 36.979 31 1HD PRO 4 HD2 PRO 4 5.897 -5.413 36.334 32 2HD PRO 4 HD1 PRO 4 6.414 -4.065 37.365 33 H GLN 5 HN GLN 5 6.033 -2.200 32.542 34 HA GLN 5 HA GLN 5 6.193 -4.495 30.859 35 1HB GLN 5 HB2 GLN 5 5.037 -1.787 30.698 36 2HB GLN 5 HB1 GLN 5 5.490 -2.498 29.156 37 1HG GLN 5 HG2 GLN 5 3.177 -2.964 29.642 38 2HG GLN 5 HG1 GLN 5 4.112 -4.458 29.663 39 1HE2 GLN 5 1HE2 GLN 5 2.290 -2.187 31.545 40 2HE2 GLN 5 2HE2 GLN 5 2.209 -3.132 32.987 41 H GLN 6 HN GLN 6 8.513 -2.140 31.556 42 HA GLN 6 HA GLN 6 9.684 -1.797 28.997 43 1HB GLN 6 HB2 GLN 6 10.074 -0.636 31.422 44 2HB GLN 6 HB1 GLN 6 11.477 -1.691 31.345 45 1HG GLN 6 HG2 GLN 6 10.708 0.409 29.329 46 2HG GLN 6 HG1 GLN 6 12.015 0.511 30.507 47 1HE2 GLN 6 1HE2 GLN 6 11.073 -0.555 27.411 48 2HE2 GLN 6 2HE2 GLN 6 12.558 -1.316 26.964 49 H ASP 7 HN ASP 7 10.619 -3.889 31.749 50 HA ASP 7 HA ASP 7 12.609 -5.272 30.252 51 1HB ASP 7 HB2 ASP 7 12.942 -6.616 32.171 52 2HB ASP 7 HB1 ASP 7 12.523 -5.020 32.784 53 H GLU 8 HN GLU 8 9.196 -5.777 30.809 54 HA GLU 8 HA GLU 8 9.108 -8.492 29.962 55 1HB GLU 8 HB2 GLU 8 7.123 -6.365 30.548 56 2HB GLU 8 HB1 GLU 8 6.590 -7.665 29.493 57 1HG GLU 8 HG2 GLU 8 6.128 -8.833 31.313 58 2HG GLU 8 HG1 GLU 8 7.863 -8.958 31.594 59 H MET 9 HN MET 9 7.880 -5.563 28.303 60 HA MET 9 HA MET 9 7.674 -6.867 25.784 61 1HB MET 9 HB2 MET 9 7.284 -4.126 26.817 62 2HB MET 9 HB1 MET 9 7.718 -4.233 25.118 63 1HG MET 9 HG2 MET 9 5.550 -4.507 24.739 64 2HG MET 9 HG1 MET 9 5.766 -6.142 25.360 65 1HE MET 9 HE2 MET 9 4.441 -7.084 27.148 66 2HE MET 9 HE1 MET 9 5.687 -6.468 28.233 67 3HE MET 9 HE3 MET 9 3.983 -6.250 28.633 68 HA PRO 10 HA PRO 10 11.727 -6.564 24.084 69 1HB PRO 10 HB2 PRO 10 11.232 -5.732 21.521 70 2HB PRO 10 HB1 PRO 10 10.975 -7.386 22.086 71 1HG PRO 10 HG2 PRO 10 8.994 -5.169 21.747 72 2HG PRO 10 HG1 PRO 10 8.835 -6.886 21.331 73 1HD PRO 10 HD2 PRO 10 7.730 -5.857 23.557 74 2HD PRO 10 HD1 PRO 10 8.391 -7.504 23.515 75 H SER 11 HN SER 11 13.254 -5.086 24.426 76 HA SER 11 HA SER 11 12.646 -2.303 24.641 77 1HB SER 11 HB2 SER 11 15.048 -4.013 25.049 78 2HB SER 11 HB1 SER 11 15.326 -2.297 24.748 79 HG SER 11 HG SER 11 14.753 -1.951 26.728 80 HA PRO 12 HA PRO 12 13.725 -0.998 20.552 81 1HB PRO 12 HB2 PRO 12 14.313 1.579 20.940 82 2HB PRO 12 HB1 PRO 12 12.688 0.954 21.249 83 1HG PRO 12 HG2 PRO 12 14.876 1.587 23.186 84 2HG PRO 12 HG1 PRO 12 13.135 1.890 23.323 85 1HD PRO 12 HD2 PRO 12 14.474 -0.242 24.482 86 2HD PRO 12 HD1 PRO 12 12.731 -0.193 24.154 87 H THR 13 HN THR 13 15.890 -2.451 21.662 88 HA THR 13 HA THR 13 18.321 -0.960 21.537 89 HB THR 13 HB THR 13 19.386 -3.249 21.454 90 HG1 THR 13 HG1 THR 13 18.168 -4.858 20.949 91 1HG2 THR 13 1HG2 THR 13 18.907 -2.150 23.607 92 2HG2 THR 13 3HG2 THR 13 17.337 -2.954 23.635 93 3HG2 THR 13 2HG2 THR 13 18.819 -3.909 23.687 94 H PHE 14 HN PHE 14 16.643 -3.149 19.300 95 HA PHE 14 HA PHE 14 18.572 -2.608 17.193 96 1HB PHE 14 HB2 PHE 14 16.062 -4.300 17.173 97 2HB PHE 14 HB1 PHE 14 17.243 -4.211 15.870 98 HD1 PHE 14 HD1 PHE 14 16.289 -5.889 18.843 99 HD2 PHE 14 HD2 PHE 14 19.661 -4.888 16.446 100 HE1 PHE 14 HE1 PHE 14 17.567 -7.715 19.884 101 HE2 PHE 14 HE2 PHE 14 20.944 -6.712 17.483 102 HZ PHE 14 HZ PHE 14 19.897 -8.129 19.205 103 H LEU 15 HN LEU 15 15.350 -1.645 18.153 104 HA LEU 15 HA LEU 15 14.442 -0.591 15.710 105 1HB LEU 15 HB2 LEU 15 13.774 0.004 18.578 106 2HB LEU 15 HB1 LEU 15 13.029 0.901 17.268 107 HG LEU 15 HG LEU 15 12.618 -1.710 16.500 108 1HD1 LEU 15 3HD1 LEU 15 13.464 -2.438 18.729 109 2HD1 LEU 15 2HD1 LEU 15 12.116 -1.573 19.467 110 3HD1 LEU 15 1HD1 LEU 15 11.807 -2.932 18.387 111 1HD2 LEU 15 1HD2 LEU 15 11.009 0.119 16.378 112 2HD2 LEU 15 3HD2 LEU 15 10.295 -1.302 17.139 113 3HD2 LEU 15 2HD2 LEU 15 10.802 0.065 18.129 114 H THR 16 HN THR 16 16.191 0.943 18.404 115 HA THR 16 HA THR 16 16.237 3.554 17.423 116 HB THR 16 HB THR 16 16.892 2.857 19.722 117 HG1 THR 16 HG1 THR 16 17.527 4.863 19.428 118 1HG2 THR 16 1HG2 THR 16 18.603 1.097 18.624 119 2HG2 THR 16 3HG2 THR 16 19.696 2.442 18.956 120 3HG2 THR 16 2HG2 THR 16 18.750 1.729 20.263 121 H GLN 17 HN GLN 17 18.047 0.784 16.365 122 HA GLN 17 HA GLN 17 20.284 2.049 15.234 123 1HB GLN 17 HB2 GLN 17 18.903 -0.471 14.294 124 2HB GLN 17 HB1 GLN 17 20.537 0.025 13.878 125 1HG GLN 17 HG2 GLN 17 19.609 -0.553 16.681 126 2HG GLN 17 HG1 GLN 17 20.408 -1.724 15.634 127 1HE2 GLN 17 1HE2 GLN 17 20.792 1.115 17.582 128 2HE2 GLN 17 2HE2 GLN 17 22.518 1.155 17.552 129 H VAL 18 HN VAL 18 17.011 1.656 14.049 130 HA VAL 18 HA VAL 18 16.920 1.892 11.432 131 HB VAL 18 HB VAL 18 15.095 3.608 11.598 132 1HG1 VAL 18 1HG1 VAL 18 15.164 1.056 13.125 133 2HG1 VAL 18 3HG1 VAL 18 13.733 2.079 13.245 134 3HG1 VAL 18 2HG1 VAL 18 14.261 1.481 11.673 135 1HG2 VAL 18 3HG2 VAL 18 16.126 3.727 14.387 136 2HG2 VAL 18 2HG2 VAL 18 15.491 5.011 13.359 137 3HG2 VAL 18 1HG2 VAL 18 14.387 3.873 14.128 138 H LYS 19 HN LYS 19 17.886 4.684 13.434 139 HA LYS 19 HA LYS 19 18.091 6.615 11.481 140 1HB LYS 19 HB2 LYS 19 19.865 6.206 13.892 141 2HB LYS 19 HB1 LYS 19 19.825 7.675 12.927 142 1HG LYS 19 HG2 LYS 19 17.399 6.561 14.310 143 2HG LYS 19 HG1 LYS 19 18.499 7.715 15.065 144 1HD LYS 19 HD2 LYS 19 17.084 9.236 14.181 145 2HD LYS 19 HD1 LYS 19 18.030 8.963 12.718 146 1HE LYS 19 HE2 LYS 19 16.160 6.947 12.630 147 2HE LYS 19 HE1 LYS 19 15.252 8.296 13.311 148 1HZ LYS 19 HZ3 LYS 19 15.952 9.657 11.430 149 2HZ LYS 19 HZ2 LYS 19 16.794 8.345 10.772 150 3HZ LYS 19 HZ1 LYS 19 15.109 8.285 10.910 151 H GLU 20 HN GLU 20 20.824 4.620 12.638 152 HA GLU 20 HA GLU 20 22.570 5.417 10.570 153 1HB GLU 20 HB2 GLU 20 23.304 4.415 12.730 154 2HB GLU 20 HB1 GLU 20 22.672 2.866 12.188 155 1HG GLU 20 HG2 GLU 20 25.105 3.054 11.922 156 2HG GLU 20 HG1 GLU 20 24.272 2.782 10.393 157 H SER 21 HN SER 21 20.114 2.984 10.777 158 HA SER 21 HA SER 21 20.904 1.317 8.649 159 1HB SER 21 HB2 SER 21 19.054 0.973 10.449 160 2HB SER 21 HB1 SER 21 18.014 1.818 9.304 161 HG SER 21 HG SER 21 18.116 0.161 7.959 162 H LEU 22 HN LEU 22 18.913 4.244 8.741 163 HA LEU 22 HA LEU 22 18.163 4.159 5.996 164 1HB LEU 22 HB2 LEU 22 18.205 6.461 7.949 165 2HB LEU 22 HB1 LEU 22 17.466 6.515 6.360 166 HG LEU 22 HG LEU 22 16.519 4.317 8.076 167 1HD1 LEU 22 1HD1 LEU 22 16.856 6.191 9.696 168 2HD1 LEU 22 3HD1 LEU 22 15.717 7.141 8.742 169 3HD1 LEU 22 2HD1 LEU 22 15.185 5.654 9.526 170 1HD2 LEU 22 1HD2 LEU 22 15.556 4.829 5.884 171 2HD2 LEU 22 3HD2 LEU 22 14.367 5.013 7.173 172 3HD2 LEU 22 2HD2 LEU 22 15.116 6.439 6.454 173 H SER 23 HN SER 23 20.633 6.028 7.772 174 HA SER 23 HA SER 23 21.621 7.459 5.581 175 1HB SER 23 HB2 SER 23 23.821 7.415 7.038 176 2HB SER 23 HB1 SER 23 22.405 8.311 7.585 177 HG SER 23 HG SER 23 22.183 6.968 9.191 178 H SER 24 HN SER 24 22.848 4.424 6.999 179 HA SER 24 HA SER 24 24.854 4.004 5.057 180 1HB SER 24 HB2 SER 24 23.436 2.127 6.950 181 2HB SER 24 HB1 SER 24 24.720 1.587 5.868 182 HG SER 24 HG SER 24 26.165 2.801 6.950 183 H TYR 25 HN TYR 25 21.443 3.632 4.907 184 HA TYR 25 HA TYR 25 21.450 1.647 2.810 185 1HB TYR 25 HB2 TYR 25 19.529 1.564 4.175 186 2HB TYR 25 HB1 TYR 25 19.307 3.308 4.124 187 HD1 TYR 25 HD1 TYR 25 17.870 4.277 2.544 188 HD2 TYR 25 HD2 TYR 25 19.126 0.245 2.022 189 HE1 TYR 25 HE1 TYR 25 16.268 4.024 0.698 190 HE2 TYR 25 HE2 TYR 25 17.527 -0.019 0.174 191 HH TYR 25 HH TYR 25 16.323 2.091 -1.537 192 H TRP 26 HN TRP 26 20.968 5.153 3.071 193 HA TRP 26 HA TRP 26 20.338 5.622 0.367 194 1HB TRP 26 HB2 TRP 26 19.972 7.231 2.258 195 2HB TRP 26 HB1 TRP 26 21.705 7.544 2.258 196 HD1 TRP 26 HD1 TRP 26 22.138 9.798 1.145 197 HE1 TRP 26 HE1 TRP 26 21.238 11.051 -0.915 198 HE3 TRP 26 HE3 TRP 26 18.599 6.434 -0.379 199 HZ2 TRP 26 HZ2 TRP 26 19.292 10.667 -2.921 200 HZ3 TRP 26 HZ3 TRP 26 17.262 6.954 -2.378 201 HH2 TRP 26 HH2 TRP 26 17.602 9.027 -3.621 202 H GLU 27 HN GLU 27 23.400 5.424 2.076 203 HA GLU 27 HA GLU 27 25.243 6.495 0.409 204 1HB GLU 27 HB2 GLU 27 25.230 4.267 2.307 205 2HB GLU 27 HB1 GLU 27 26.449 4.094 1.053 206 1HG GLU 27 HG2 GLU 27 27.527 5.203 2.802 207 2HG GLU 27 HG1 GLU 27 27.160 6.461 1.623 208 H SER 28 HN SER 28 24.158 3.113 0.159 209 HA SER 28 HA SER 28 25.208 2.914 -2.539 210 1HB SER 28 HB2 SER 28 24.467 0.547 -2.386 211 2HB SER 28 HB1 SER 28 25.527 1.012 -1.055 212 HG SER 28 HG SER 28 23.969 0.266 0.142 213 H ALA 29 HN ALA 29 22.235 3.747 -1.047 214 HA ALA 29 HA ALA 29 20.375 2.738 -2.899 215 1HB ALA 29 HB2 ALA 29 19.723 3.684 -0.741 216 2HB ALA 29 HB3 ALA 29 18.849 4.442 -2.070 217 3HB ALA 29 HB1 ALA 29 20.192 5.287 -1.304 218 H LYS 30 HN LYS 30 22.336 5.684 -2.958 219 HA LYS 30 HA LYS 30 21.119 7.041 -5.040 220 1HB LYS 30 HB2 LYS 30 24.033 6.878 -4.273 221 2HB LYS 30 HB1 LYS 30 23.431 7.977 -5.507 222 1HG LYS 30 HG2 LYS 30 22.076 9.132 -3.893 223 2HG LYS 30 HG1 LYS 30 22.497 7.959 -2.645 224 1HD LYS 30 HD2 LYS 30 24.961 8.729 -3.371 225 2HD LYS 30 HD1 LYS 30 24.075 10.203 -3.760 226 1HE LYS 30 HE2 LYS 30 24.791 10.481 -1.540 227 2HE LYS 30 HE1 LYS 30 23.088 10.047 -1.425 228 1HZ LYS 30 HZ1 LYS 30 23.773 7.749 -0.975 229 2HZ LYS 30 HZ3 LYS 30 25.396 8.226 -1.005 230 3HZ LYS 30 HZ2 LYS 30 24.360 8.824 0.190 231 H THR 31 HN THR 31 23.822 4.740 -5.326 232 HA THR 31 HA THR 31 24.105 4.663 -8.063 233 HB THR 31 HB THR 31 24.229 2.193 -6.325 234 HG1 THR 31 HG1 THR 31 26.163 4.252 -6.599 235 1HG2 THR 31 1HG2 THR 31 25.777 3.032 -8.764 236 2HG2 THR 31 3HG2 THR 31 26.168 1.638 -7.756 237 3HG2 THR 31 2HG2 THR 31 24.636 1.694 -8.628 238 H ALA 32 HN ALA 32 21.730 3.070 -6.019 239 HA ALA 32 HA ALA 32 20.545 1.437 -7.991 240 1HB ALA 32 HB3 ALA 32 18.867 2.571 -5.808 241 2HB ALA 32 HB2 ALA 32 18.960 0.920 -6.423 242 3HB ALA 32 HB1 ALA 32 20.231 1.543 -5.370 243 H ALA 33 HN ALA 33 19.850 4.758 -6.911 244 HA ALA 33 HA ALA 33 17.552 5.286 -8.333 245 1HB ALA 33 HB1 ALA 33 18.778 6.811 -6.713 246 2HB ALA 33 HB3 ALA 33 19.767 7.301 -8.090 247 3HB ALA 33 HB2 ALA 33 18.026 7.583 -8.109 248 H GLN 34 HN GLN 34 20.873 5.826 -9.508 249 HA GLN 34 HA GLN 34 20.079 6.531 -12.129 250 1HB GLN 34 HB2 GLN 34 22.703 5.398 -11.132 251 2HB GLN 34 HB1 GLN 34 22.451 6.072 -12.736 252 1HG GLN 34 HG2 GLN 34 22.809 8.125 -11.997 253 2HG GLN 34 HG1 GLN 34 21.593 7.942 -10.735 254 1HE2 GLN 34 1HE2 GLN 34 24.975 7.632 -11.531 255 2HE2 GLN 34 2HE2 GLN 34 25.552 7.545 -9.905 256 H ASN 35 HN ASN 35 20.912 3.479 -10.582 257 HA ASN 35 HA ASN 35 20.963 1.876 -12.902 258 1HB ASN 35 HB2 ASN 35 21.645 1.344 -10.409 259 2HB ASN 35 HB1 ASN 35 19.989 0.753 -10.305 260 1HD2 ASN 35 1HD2 ASN 35 23.159 0.128 -11.393 261 2HD2 ASN 35 2HD2 ASN 35 22.850 -1.398 -12.140 262 H LEU 36 HN LEU 36 18.352 3.177 -11.057 263 HA LEU 36 HA LEU 36 16.258 1.470 -11.768 264 1HB LEU 36 HB2 LEU 36 16.291 3.516 -10.151 265 2HB LEU 36 HB1 LEU 36 15.904 4.451 -11.582 266 HG LEU 36 HG LEU 36 14.185 2.098 -11.059 267 1HD1 LEU 36 2HD1 LEU 36 14.487 2.997 -8.804 268 2HD1 LEU 36 1HD1 LEU 36 14.010 4.595 -9.379 269 3HD1 LEU 36 3HD1 LEU 36 12.850 3.267 -9.399 270 1HD2 LEU 36 1HD2 LEU 36 13.667 4.950 -11.895 271 2HD2 LEU 36 3HD2 LEU 36 13.777 3.549 -12.961 272 3HD2 LEU 36 2HD2 LEU 36 12.453 3.675 -11.803 273 H TYR 37 HN TYR 37 17.613 4.334 -13.286 274 HA TYR 37 HA TYR 37 15.959 4.353 -15.587 275 1HB TYR 37 HB2 TYR 37 18.595 5.589 -14.873 276 2HB TYR 37 HB1 TYR 37 18.054 5.627 -16.547 277 HD1 TYR 37 HD1 TYR 37 17.469 6.891 -13.166 278 HD2 TYR 37 HD2 TYR 37 16.098 6.934 -17.194 279 HE1 TYR 37 HE1 TYR 37 16.084 8.861 -12.668 280 HE2 TYR 37 HE2 TYR 37 14.712 8.903 -16.709 281 HH TYR 37 HH TYR 37 15.018 10.902 -14.621 282 H GLU 38 HN GLU 38 18.986 2.768 -14.752 283 HA GLU 38 HA GLU 38 19.745 1.837 -17.279 284 1HB GLU 38 HB2 GLU 38 21.288 1.702 -15.443 285 2HB GLU 38 HB1 GLU 38 20.206 0.655 -14.540 286 1HG GLU 38 HG2 GLU 38 20.795 -0.537 -17.072 287 2HG GLU 38 HG1 GLU 38 22.292 -0.080 -16.263 288 H LYS 39 HN LYS 39 17.878 0.133 -14.785 289 HA LYS 39 HA LYS 39 17.316 -2.125 -16.391 290 1HB LYS 39 HB2 LYS 39 16.977 -1.423 -13.722 291 2HB LYS 39 HB1 LYS 39 15.338 -1.634 -14.319 292 1HG LYS 39 HG2 LYS 39 17.334 -3.724 -14.992 293 2HG LYS 39 HG1 LYS 39 16.747 -3.639 -13.330 294 1HD LYS 39 HD2 LYS 39 14.752 -3.550 -15.538 295 2HD LYS 39 HD1 LYS 39 15.516 -5.094 -15.165 296 1HE LYS 39 HE2 LYS 39 13.668 -5.161 -13.796 297 2HE LYS 39 HE1 LYS 39 14.883 -4.493 -12.707 298 1HZ LYS 39 HZ3 LYS 39 13.143 -2.710 -14.291 299 2HZ LYS 39 HZ2 LYS 39 12.596 -3.373 -12.834 300 3HZ LYS 39 HZ1 LYS 39 13.968 -2.386 -12.849 301 H THR 40 HN THR 40 16.123 1.002 -16.702 302 HA THR 40 HA THR 40 13.397 0.455 -17.285 303 HB THR 40 HB THR 40 15.095 2.734 -18.320 304 HG1 THR 40 HG1 THR 40 13.578 2.492 -15.936 305 1HG2 THR 40 3HG2 THR 40 12.115 2.470 -18.011 306 2HG2 THR 40 2HG2 THR 40 12.962 3.983 -18.339 307 3HG2 THR 40 1HG2 THR 40 13.022 2.666 -19.511 308 H TYR 41 HN TYR 41 16.170 1.065 -19.411 309 HA TYR 41 HA TYR 41 14.830 0.395 -21.813 310 1HB TYR 41 HB2 TYR 41 17.029 1.718 -21.475 311 2HB TYR 41 HB1 TYR 41 17.805 0.139 -21.458 312 HD1 TYR 41 HD1 TYR 41 15.894 2.522 -23.519 313 HD2 TYR 41 HD2 TYR 41 18.079 -1.129 -23.473 314 HE1 TYR 41 HE1 TYR 41 15.949 2.531 -25.977 315 HE2 TYR 41 HE2 TYR 41 18.141 -1.130 -25.931 316 HH TYR 41 HH TYR 41 16.309 0.250 -27.821 317 H LEU 42 HN LEU 42 16.849 -1.494 -19.594 318 HA LEU 42 HA LEU 42 16.918 -3.831 -21.224 319 1HB LEU 42 HB2 LEU 42 17.457 -3.463 -18.279 320 2HB LEU 42 HB1 LEU 42 17.769 -4.941 -19.168 321 HG LEU 42 HG LEU 42 19.030 -2.420 -20.143 322 1HD1 LEU 42 1HD1 LEU 42 19.355 -2.515 -17.655 323 2HD1 LEU 42 3HD1 LEU 42 20.210 -4.038 -17.896 324 3HD1 LEU 42 2HD1 LEU 42 20.837 -2.552 -18.610 325 1HD2 LEU 42 3HD2 LEU 42 19.217 -4.559 -21.374 326 2HD2 LEU 42 2HD2 LEU 42 20.775 -3.928 -20.842 327 3HD2 LEU 42 1HD2 LEU 42 20.021 -5.264 -19.972 328 HA PRO 43 HA PRO 43 12.986 -5.514 -19.967 329 1HB PRO 43 HB2 PRO 43 13.016 -7.692 -21.499 330 2HB PRO 43 HB1 PRO 43 12.964 -6.080 -22.220 331 1HG PRO 43 HG2 PRO 43 15.245 -7.978 -21.989 332 2HG PRO 43 HG1 PRO 43 14.863 -6.832 -23.283 333 1HD PRO 43 HD2 PRO 43 16.704 -6.450 -21.174 334 2HD PRO 43 HD1 PRO 43 16.128 -5.220 -22.316 335 H ALA 44 HN ALA 44 15.438 -6.123 -18.285 336 HA ALA 44 HA ALA 44 15.499 -8.871 -17.641 337 1HB ALA 44 HB2 ALA 44 16.350 -6.438 -16.090 338 2HB ALA 44 HB1 ALA 44 16.635 -8.091 -15.549 339 3HB ALA 44 HB3 ALA 44 17.360 -7.517 -17.051 340 H VAL 45 HN VAL 45 13.187 -6.466 -16.898 341 HA VAL 45 HA VAL 45 12.244 -7.067 -14.396 342 HB VAL 45 HB VAL 45 10.577 -6.384 -16.826 343 1HG1 VAL 45 3HG1 VAL 45 9.936 -6.397 -13.888 344 2HG1 VAL 45 2HG1 VAL 45 9.027 -5.428 -15.048 345 3HG1 VAL 45 1HG1 VAL 45 9.068 -7.184 -15.206 346 1HG2 VAL 45 1HG2 VAL 45 11.816 -4.619 -14.714 347 2HG2 VAL 45 3HG2 VAL 45 12.299 -4.724 -16.407 348 3HG2 VAL 45 2HG2 VAL 45 10.716 -4.076 -15.980 349 H ASP 46 HN ASP 46 11.211 -8.600 -17.452 350 HA ASP 46 HA ASP 46 9.419 -10.434 -16.339 351 1HB ASP 46 HB2 ASP 46 9.728 -9.849 -18.796 352 2HB ASP 46 HB1 ASP 46 11.093 -10.962 -18.796 353 H GLU 47 HN GLU 47 12.919 -10.591 -16.733 354 HA GLU 47 HA GLU 47 13.190 -13.361 -16.134 355 1HB GLU 47 HB2 GLU 47 14.903 -11.716 -17.190 356 2HB GLU 47 HB1 GLU 47 15.314 -11.322 -15.527 357 1HG GLU 47 HG2 GLU 47 15.361 -14.122 -16.616 358 2HG GLU 47 HG1 GLU 47 16.758 -13.048 -16.637 359 H LYS 48 HN LYS 48 13.470 -10.427 -14.141 360 HA LYS 48 HA LYS 48 14.202 -11.564 -11.726 361 1HB LYS 48 HB2 LYS 48 13.296 -9.034 -12.627 362 2HB LYS 48 HB1 LYS 48 12.332 -9.455 -11.219 363 1HG LYS 48 HG2 LYS 48 14.185 -9.542 -9.817 364 2HG LYS 48 HG1 LYS 48 15.314 -9.699 -11.164 365 1HD LYS 48 HD2 LYS 48 13.681 -7.242 -11.137 366 2HD LYS 48 HD1 LYS 48 14.862 -7.392 -9.835 367 1HE LYS 48 HE2 LYS 48 15.945 -6.259 -11.616 368 2HE LYS 48 HE1 LYS 48 16.583 -7.902 -11.596 369 1HZ LYS 48 HZ2 LYS 48 14.320 -7.182 -13.350 370 2HZ LYS 48 HZ1 LYS 48 15.913 -6.880 -13.828 371 3HZ LYS 48 HZ3 LYS 48 15.413 -8.463 -13.501 372 H LEU 49 HN LEU 49 11.081 -11.624 -13.297 373 HA LEU 49 HA LEU 49 9.479 -12.207 -11.050 374 1HB LEU 49 HB2 LEU 49 9.197 -12.431 -13.987 375 2HB LEU 49 HB1 LEU 49 8.172 -13.491 -13.041 376 HG LEU 49 HG LEU 49 7.455 -11.379 -11.769 377 1HD1 LEU 49 3HD1 LEU 49 9.239 -9.922 -12.582 378 2HD1 LEU 49 2HD1 LEU 49 8.637 -10.099 -14.230 379 3HD1 LEU 49 1HD1 LEU 49 7.649 -9.292 -13.013 380 1HD2 LEU 49 3HD2 LEU 49 6.725 -11.854 -14.653 381 2HD2 LEU 49 2HD2 LEU 49 5.932 -12.507 -13.221 382 3HD2 LEU 49 1HD2 LEU 49 5.834 -10.782 -13.574 383 H ARG 50 HN ARG 50 10.542 -14.469 -13.603 384 HA ARG 50 HA ARG 50 10.028 -16.792 -12.083 385 1HB ARG 50 HB2 ARG 50 11.229 -16.148 -14.668 386 2HB ARG 50 HB1 ARG 50 12.009 -17.515 -13.886 387 1HG ARG 50 HG2 ARG 50 10.319 -18.428 -15.233 388 2HG ARG 50 HG1 ARG 50 9.697 -18.494 -13.584 389 1HD ARG 50 HD2 ARG 50 9.082 -16.164 -15.366 390 2HD ARG 50 HD1 ARG 50 8.149 -17.656 -15.481 391 HE ARG 50 HE ARG 50 8.056 -17.105 -12.844 392 1HH1 ARG 50 1HH1 ARG 50 7.370 -15.164 -15.677 393 2HH1 ARG 50 2HH1 ARG 50 6.192 -14.186 -14.871 394 1HH2 ARG 50 1HH2 ARG 50 6.510 -15.809 -11.789 395 2HH2 ARG 50 2HH2 ARG 50 5.704 -14.550 -12.662 396 H ASP 51 HN ASP 51 12.793 -14.659 -12.341 397 HA ASP 51 HA ASP 51 14.806 -16.259 -11.277 398 1HB ASP 51 HB2 ASP 51 15.022 -13.926 -12.270 399 2HB ASP 51 HB1 ASP 51 14.519 -13.310 -10.700 400 H LEU 52 HN LEU 52 12.832 -13.880 -9.490 401 HA LEU 52 HA LEU 52 13.700 -14.828 -6.946 402 1HB LEU 52 HB2 LEU 52 11.683 -12.852 -7.909 403 2HB LEU 52 HB1 LEU 52 11.582 -13.405 -6.249 404 HG LEU 52 HG LEU 52 12.806 -11.337 -6.312 405 1HD1 LEU 52 2HD1 LEU 52 13.549 -13.241 -4.805 406 2HD1 LEU 52 1HD1 LEU 52 14.879 -13.476 -5.939 407 3HD1 LEU 52 3HD1 LEU 52 14.712 -11.944 -5.083 408 1HD2 LEU 52 1HD2 LEU 52 13.533 -11.429 -8.648 409 2HD2 LEU 52 3HD2 LEU 52 14.878 -11.076 -7.563 410 3HD2 LEU 52 2HD2 LEU 52 14.691 -12.695 -8.237 411 H TYR 53 HN TYR 53 11.251 -15.873 -9.129 412 HA TYR 53 HA TYR 53 9.413 -16.949 -7.255 413 1HB TYR 53 HB2 TYR 53 9.803 -17.018 -10.151 414 2HB TYR 53 HB1 TYR 53 9.190 -18.540 -9.517 415 HD1 TYR 53 HD1 TYR 53 6.916 -18.718 -9.827 416 HD2 TYR 53 HD2 TYR 53 8.529 -14.938 -8.727 417 HE1 TYR 53 HE1 TYR 53 4.647 -17.777 -9.757 418 HE2 TYR 53 HE2 TYR 53 6.264 -13.986 -8.653 419 HH TYR 53 HH TYR 53 3.692 -15.384 -8.272 420 H SER 54 HN SER 54 11.800 -18.630 -9.321 421 HA SER 54 HA SER 54 11.615 -21.112 -8.020 422 1HB SER 54 HB2 SER 54 13.939 -19.951 -9.580 423 2HB SER 54 HB1 SER 54 13.741 -21.652 -9.161 424 HG SER 54 HG SER 54 12.438 -20.127 -11.079 425 H LYS 55 HN LYS 55 13.780 -18.355 -7.497 426 HA LYS 55 HA LYS 55 15.491 -19.548 -5.617 427 1HB LYS 55 HB2 LYS 55 15.793 -17.336 -6.843 428 2HB LYS 55 HB1 LYS 55 14.721 -16.632 -5.641 429 1HG LYS 55 HG2 LYS 55 16.303 -17.407 -3.879 430 2HG LYS 55 HG1 LYS 55 17.404 -17.908 -5.165 431 1HD LYS 55 HD2 LYS 55 17.315 -15.544 -6.019 432 2HD LYS 55 HD1 LYS 55 16.441 -15.120 -4.547 433 1HE LYS 55 HE2 LYS 55 18.303 -15.791 -3.183 434 2HE LYS 55 HE1 LYS 55 19.159 -16.422 -4.588 435 1HZ LYS 55 HZ1 LYS 55 18.468 -13.570 -4.125 436 2HZ LYS 55 HZ3 LYS 55 20.003 -14.257 -3.936 437 3HZ LYS 55 HZ2 LYS 55 19.295 -14.176 -5.470 438 H SER 56 HN SER 56 12.605 -17.506 -5.110 439 HA SER 56 HA SER 56 12.624 -17.626 -2.303 440 1HB SER 56 HB2 SER 56 11.331 -16.003 -3.735 441 2HB SER 56 HB1 SER 56 10.161 -17.292 -4.018 442 HG SER 56 HG SER 56 9.304 -16.617 -2.224 443 H THR 57 HN THR 57 11.719 -20.089 -4.558 444 HA THR 57 HA THR 57 9.713 -21.427 -3.158 445 HB THR 57 HB THR 57 11.888 -22.726 -4.809 446 HG1 THR 57 HG1 THR 57 9.473 -21.483 -5.626 447 1HG2 THR 57 2HG2 THR 57 9.054 -23.555 -4.240 448 2HG2 THR 57 1HG2 THR 57 10.105 -24.307 -5.440 449 3HG2 THR 57 3HG2 THR 57 10.528 -24.378 -3.731 450 H ALA 58 HN ALA 58 13.251 -21.800 -2.949 451 HA ALA 58 HA ALA 58 13.191 -23.854 -0.991 452 1HB ALA 58 HB3 ALA 58 15.584 -23.380 -0.713 453 2HB ALA 58 HB2 ALA 58 15.132 -23.518 -2.412 454 3HB ALA 58 HB1 ALA 58 15.403 -21.929 -1.698 455 H ALA 59 HN ALA 59 13.701 -20.334 -0.757 456 HA ALA 59 HA ALA 59 14.096 -20.229 2.025 457 1HB ALA 59 HB2 ALA 59 13.614 -17.836 1.822 458 2HB ALA 59 HB3 ALA 59 13.009 -18.099 0.187 459 3HB ALA 59 HB1 ALA 59 14.708 -18.390 0.556 460 H MET 60 HN MET 60 11.145 -19.946 0.076 461 HA MET 60 HA MET 60 9.386 -19.258 2.150 462 1HB MET 60 HB2 MET 60 9.032 -20.499 -0.551 463 2HB MET 60 HB1 MET 60 7.664 -20.412 0.550 464 1HG MET 60 HG2 MET 60 9.304 -18.036 -0.290 465 2HG MET 60 HG1 MET 60 7.807 -18.538 -1.074 466 1HE MET 60 HE1 MET 60 9.558 -17.288 2.044 467 2HE MET 60 HE3 MET 60 8.993 -15.829 1.230 468 3HE MET 60 HE2 MET 60 8.345 -16.264 2.811 469 H SER 61 HN SER 61 10.806 -22.330 1.335 470 HA SER 61 HA SER 61 8.855 -23.993 2.532 471 1HB SER 61 HB2 SER 61 10.814 -24.623 0.945 472 2HB SER 61 HB1 SER 61 11.768 -24.724 2.424 473 HG SER 61 HG SER 61 9.780 -26.389 1.479 474 H THR 62 HN THR 62 11.232 -21.937 3.887 475 HA THR 62 HA THR 62 10.901 -23.216 6.520 476 HB THR 62 HB THR 62 13.028 -21.984 7.125 477 HG1 THR 62 HG1 THR 62 13.483 -20.532 5.651 478 1HG2 THR 62 2HG2 THR 62 13.059 -24.377 6.564 479 2HG2 THR 62 1HG2 THR 62 13.333 -23.954 4.874 480 3HG2 THR 62 3HG2 THR 62 14.538 -23.540 6.092 481 H TYR 63 HN TYR 63 11.187 -20.058 4.897 482 HA TYR 63 HA TYR 63 10.573 -18.485 7.131 483 1HB TYR 63 HB2 TYR 63 10.610 -18.016 4.175 484 2HB TYR 63 HB1 TYR 63 9.911 -16.798 5.236 485 HD1 TYR 63 HD1 TYR 63 12.953 -18.230 3.947 486 HD2 TYR 63 HD2 TYR 63 11.352 -15.785 7.038 487 HE1 TYR 63 HE1 TYR 63 15.201 -17.347 4.403 488 HE2 TYR 63 HE2 TYR 63 13.595 -14.894 7.503 489 HH TYR 63 HH TYR 63 16.220 -16.112 6.907 490 H THR 64 HN THR 64 8.536 -20.326 4.995 491 HA THR 64 HA THR 64 6.171 -18.810 5.463 492 HB THR 64 HB THR 64 6.636 -21.603 4.444 493 HG1 THR 64 HG1 THR 64 6.980 -20.064 2.912 494 1HG2 THR 64 2HG2 THR 64 3.990 -20.300 5.000 495 2HG2 THR 64 1HG2 THR 64 4.198 -21.578 3.802 496 3HG2 THR 64 3HG2 THR 64 4.556 -21.894 5.499 497 H GLY 65 HN GLY 65 7.246 -21.938 6.774 498 1HA GLY 65 HA1 GLY 65 6.753 -22.969 8.772 499 2HA GLY 65 HA2 GLY 65 5.236 -22.074 8.763 500 H ILE 66 HN ILE 66 8.510 -20.757 8.717 501 HA ILE 66 HA ILE 66 8.713 -20.151 11.472 502 HB ILE 66 HB ILE 66 10.125 -19.027 9.057 503 1HG1 ILE 66 2HG1 ILE 66 11.283 -20.607 11.348 504 2HG1 ILE 66 1HG1 ILE 66 10.530 -21.400 9.969 505 1HG2 ILE 66 2HG2 ILE 66 10.384 -18.223 11.937 506 2HG2 ILE 66 1HG2 ILE 66 11.724 -18.052 10.805 507 3HG2 ILE 66 3HG2 ILE 66 10.210 -17.197 10.513 508 1HD1 ILE 66 3HD1 ILE 66 12.190 -19.879 8.614 509 2HD1 ILE 66 2HD1 ILE 66 13.080 -19.895 10.136 510 3HD1 ILE 66 1HD1 ILE 66 12.709 -21.411 9.315 511 H PHE 67 HN PHE 67 8.066 -17.978 8.711 512 HA PHE 67 HA PHE 67 7.488 -15.665 10.110 513 1HB PHE 67 HB2 PHE 67 7.688 -15.724 7.668 514 2HB PHE 67 HB1 PHE 67 6.176 -16.618 7.554 515 HD1 PHE 67 HD1 PHE 67 7.665 -13.367 8.476 516 HD2 PHE 67 HD2 PHE 67 4.093 -15.512 7.603 517 HE1 PHE 67 HE1 PHE 67 6.424 -11.246 8.357 518 HE2 PHE 67 HE2 PHE 67 2.847 -13.395 7.480 519 HZ PHE 67 HZ PHE 67 4.012 -11.258 7.858 520 H THR 68 HN THR 68 5.120 -18.083 8.990 521 HA THR 68 HA THR 68 2.912 -16.916 10.287 522 HB THR 68 HB THR 68 3.241 -19.816 9.513 523 HG1 THR 68 HG1 THR 68 3.426 -18.980 7.593 524 1HG2 THR 68 1HG2 THR 68 0.815 -18.107 9.956 525 2HG2 THR 68 3HG2 THR 68 0.776 -19.615 9.044 526 3HG2 THR 68 2HG2 THR 68 1.244 -19.624 10.745 527 H ASP 69 HN ASP 69 5.451 -18.932 11.451 528 HA ASP 69 HA ASP 69 4.210 -20.167 13.635 529 1HB ASP 69 HB2 ASP 69 6.830 -19.970 12.671 530 2HB ASP 69 HB1 ASP 69 6.902 -19.307 14.299 531 H GLN 70 HN GLN 70 6.033 -17.102 13.586 532 HA GLN 70 HA GLN 70 5.325 -16.386 16.246 533 1HB GLN 70 HB2 GLN 70 6.442 -14.762 13.958 534 2HB GLN 70 HB1 GLN 70 6.205 -14.121 15.577 535 1HG GLN 70 HG2 GLN 70 8.406 -14.704 15.674 536 2HG GLN 70 HG1 GLN 70 7.658 -16.181 16.279 537 1HE2 GLN 70 1HE2 GLN 70 8.656 -14.689 13.207 538 2HE2 GLN 70 2HE2 GLN 70 9.272 -16.144 12.509 539 H VAL 71 HN VAL 71 3.794 -15.948 13.162 540 HA VAL 71 HA VAL 71 2.087 -13.783 13.856 541 HB VAL 71 HB VAL 71 1.753 -15.926 11.741 542 1HG1 VAL 71 1HG1 VAL 71 0.165 -13.433 12.299 543 2HG1 VAL 71 3HG1 VAL 71 0.172 -14.224 10.722 544 3HG1 VAL 71 2HG1 VAL 71 -0.417 -15.091 12.140 545 1HG2 VAL 71 3HG2 VAL 71 3.665 -14.052 11.779 546 2HG2 VAL 71 2HG2 VAL 71 2.905 -14.615 10.292 547 3HG2 VAL 71 1HG2 VAL 71 2.363 -13.115 11.045 548 H LEU 72 HN LEU 72 1.571 -17.280 13.597 549 HA LEU 72 HA LEU 72 -1.015 -17.384 14.662 550 1HB LEU 72 HB2 LEU 72 0.290 -19.241 13.495 551 2HB LEU 72 HB1 LEU 72 1.091 -19.513 15.031 552 HG LEU 72 HG LEU 72 -1.270 -19.835 15.999 553 1HD1 LEU 72 1HD1 LEU 72 -2.498 -18.911 14.102 554 2HD1 LEU 72 3HD1 LEU 72 -1.876 -20.195 13.067 555 3HD1 LEU 72 2HD1 LEU 72 -2.956 -20.586 14.405 556 1HD2 LEU 72 2HD2 LEU 72 0.346 -21.642 15.694 557 2HD2 LEU 72 1HD2 LEU 72 -1.294 -22.182 15.337 558 3HD2 LEU 72 3HD2 LEU 72 -0.176 -21.831 14.019 559 H SER 73 HN SER 73 2.174 -17.292 16.143 560 HA SER 73 HA SER 73 1.457 -17.915 18.778 561 1HB SER 73 HB2 SER 73 3.815 -17.592 17.748 562 2HB SER 73 HB1 SER 73 3.587 -15.886 18.138 563 HG SER 73 HG SER 73 4.600 -16.874 19.863 564 H VAL 74 HN VAL 74 1.327 -14.878 17.015 565 HA VAL 74 HA VAL 74 0.612 -13.283 19.277 566 HB VAL 74 HB VAL 74 0.115 -12.701 16.350 567 1HG1 VAL 74 3HG1 VAL 74 -0.054 -11.055 18.842 568 2HG1 VAL 74 2HG1 VAL 74 0.358 -10.296 17.305 569 3HG1 VAL 74 1HG1 VAL 74 -1.173 -11.151 17.483 570 1HG2 VAL 74 1HG2 VAL 74 2.568 -12.827 17.851 571 2HG2 VAL 74 3HG2 VAL 74 2.321 -12.521 16.132 572 3HG2 VAL 74 2HG2 VAL 74 2.276 -11.184 17.281 573 H LEU 75 HN LEU 75 -1.103 -15.498 17.289 574 HA LEU 75 HA LEU 75 -3.702 -14.391 17.431 575 1HB LEU 75 HB2 LEU 75 -2.733 -16.392 16.022 576 2HB LEU 75 HB1 LEU 75 -3.265 -17.345 17.394 577 HG LEU 75 HG LEU 75 -5.564 -16.423 17.071 578 1HD1 LEU 75 3HD1 LEU 75 -4.339 -15.281 14.565 579 2HD1 LEU 75 2HD1 LEU 75 -6.070 -15.383 14.888 580 3HD1 LEU 75 1HD1 LEU 75 -5.041 -14.378 15.908 581 1HD2 LEU 75 3HD2 LEU 75 -4.913 -18.617 16.197 582 2HD2 LEU 75 2HD2 LEU 75 -6.093 -17.823 15.156 583 3HD2 LEU 75 1HD2 LEU 75 -4.393 -17.858 14.692 584 H LYS 76 HN LYS 76 -1.843 -16.465 19.528 585 HA LYS 76 HA LYS 76 -3.957 -17.058 21.354 586 1HB LYS 76 HB2 LYS 76 -1.678 -18.275 20.985 587 2HB LYS 76 HB1 LYS 76 -1.057 -17.092 22.127 588 1HG LYS 76 HG2 LYS 76 -2.505 -17.869 23.846 589 2HG LYS 76 HG1 LYS 76 -3.401 -18.884 22.712 590 1HD LYS 76 HD2 LYS 76 -2.019 -20.423 23.743 591 2HD LYS 76 HD1 LYS 76 -1.087 -20.004 22.303 592 1HE LYS 76 HE2 LYS 76 -0.024 -18.198 23.844 593 2HE LYS 76 HE1 LYS 76 -0.640 -19.206 25.153 594 1HZ LYS 76 HZ1 LYS 76 0.600 -21.077 24.232 595 2HZ LYS 76 HZ3 LYS 76 1.205 -20.090 22.997 596 3HZ LYS 76 HZ2 LYS 76 1.630 -19.789 24.605 597 H GLY 77 HN GLY 77 -1.445 -14.579 21.168 598 1HA GLY 77 HA1 GLY 77 -0.938 -12.847 22.642 599 2HA GLY 77 HA2 GLY 77 -2.172 -13.448 23.741 600 H GLU 78 HN GLU 78 -4.440 -13.045 23.134 601 HA GLU 78 HA GLU 78 -6.152 -11.653 22.614 602 1HB GLU 78 HB2 GLU 78 -4.035 -9.516 22.337 603 2HB GLU 78 HB1 GLU 78 -5.747 -9.273 22.651 604 1HG GLU 78 HG2 GLU 78 -3.730 -10.528 24.498 605 2HG GLU 78 HG1 GLU 78 -4.506 -8.956 24.679 606 H GLU 79 HN GLU 79 -4.818 -13.093 20.424 607 HA GLU 79 HA GLU 79 -5.140 -13.324 18.187 608 1HB GLU 79 HB2 GLU 79 -7.178 -11.592 18.904 609 2HB GLU 79 HB1 GLU 79 -6.369 -10.747 17.592 610 1HG GLU 79 HG2 GLU 79 -8.029 -12.000 16.548 611 2HG GLU 79 HG1 GLU 79 -6.554 -12.931 16.293 No H/Q in entry = 611 Start of MODEL 27 1 H1 THR 1 HT3 THR 1 22.843 -22.745 29.088 2 H2 THR 1 HT2 THR 1 22.589 -21.722 30.442 3 H3 THR 1 HT1 THR 1 23.036 -23.363 30.675 4 HA THR 1 HA THR 1 21.004 -24.124 29.818 5 HB THR 1 HB THR 1 20.577 -21.857 31.784 6 HG1 THR 1 HG1 THR 1 21.947 -23.020 32.884 7 1HG2 THR 1 2HG2 THR 1 19.021 -24.391 31.334 8 2HG2 THR 1 1HG2 THR 1 18.835 -23.332 32.733 9 3HG2 THR 1 3HG2 THR 1 18.453 -22.735 31.119 10 H GLN 2 HN GLN 2 20.742 -20.557 30.080 11 HA GLN 2 HA GLN 2 18.659 -20.565 28.051 12 1HB GLN 2 HB2 GLN 2 19.300 -18.913 30.271 13 2HB GLN 2 HB1 GLN 2 19.422 -17.913 28.830 14 1HG GLN 2 HG2 GLN 2 17.033 -19.647 29.108 15 2HG GLN 2 HG1 GLN 2 17.152 -18.228 30.148 16 1HE2 GLN 2 1HE2 GLN 2 17.284 -19.268 26.771 17 2HE2 GLN 2 2HE2 GLN 2 16.671 -17.796 26.110 18 H GLN 3 HN GLN 3 19.805 -21.141 26.197 19 HA GLN 3 HA GLN 3 22.153 -19.772 25.344 20 1HB GLN 3 HB2 GLN 3 20.293 -21.760 24.120 21 2HB GLN 3 HB1 GLN 3 21.380 -20.872 23.062 22 1HG GLN 3 HG2 GLN 3 22.376 -22.971 23.665 23 2HG GLN 3 HG1 GLN 3 23.287 -21.656 24.403 24 1HE2 GLN 3 1HE2 GLN 3 20.954 -24.210 25.007 25 2HE2 GLN 3 2HE2 GLN 3 21.249 -24.334 26.704 26 HA PRO 4 HA PRO 4 19.303 -17.289 22.449 27 1HB PRO 4 HB2 PRO 4 16.685 -17.768 22.271 28 2HB PRO 4 HB1 PRO 4 17.858 -18.834 21.488 29 1HG PRO 4 HG2 PRO 4 16.369 -19.217 24.053 30 2HG PRO 4 HG1 PRO 4 16.716 -20.394 22.774 31 1HD PRO 4 HD2 PRO 4 18.157 -20.133 25.126 32 2HD PRO 4 HD1 PRO 4 18.763 -20.891 23.642 33 H GLN 5 HN GLN 5 19.874 -16.538 25.036 34 HA GLN 5 HA GLN 5 17.618 -15.464 26.415 35 1HB GLN 5 HB2 GLN 5 19.950 -16.076 27.354 36 2HB GLN 5 HB1 GLN 5 20.443 -14.494 26.769 37 1HG GLN 5 HG2 GLN 5 18.010 -14.627 28.455 38 2HG GLN 5 HG1 GLN 5 19.564 -14.904 29.239 39 1HE2 GLN 5 1HE2 GLN 5 17.706 -12.709 29.612 40 2HE2 GLN 5 2HE2 GLN 5 18.569 -11.264 29.222 41 H GLN 6 HN GLN 6 16.416 -14.050 25.259 42 HA GLN 6 HA GLN 6 17.476 -12.091 23.501 43 1HB GLN 6 HB2 GLN 6 14.999 -13.139 23.918 44 2HB GLN 6 HB1 GLN 6 14.820 -11.567 24.681 45 1HG GLN 6 HG2 GLN 6 16.107 -11.160 22.197 46 2HG GLN 6 HG1 GLN 6 14.740 -12.238 21.922 47 1HE2 GLN 6 1HE2 GLN 6 15.635 -9.095 21.961 48 2HE2 GLN 6 2HE2 GLN 6 14.110 -8.353 22.284 49 H ASP 7 HN ASP 7 16.623 -9.682 23.896 50 HA ASP 7 HA ASP 7 18.181 -8.663 26.054 51 1HB ASP 7 HB2 ASP 7 16.674 -7.564 23.776 52 2HB ASP 7 HB1 ASP 7 16.718 -6.514 25.186 53 H GLU 8 HN GLU 8 17.030 -9.849 27.780 54 HA GLU 8 HA GLU 8 14.357 -9.172 28.485 55 1HB GLU 8 HB2 GLU 8 16.580 -10.701 29.733 56 2HB GLU 8 HB1 GLU 8 15.325 -10.104 30.808 57 1HG GLU 8 HG2 GLU 8 14.780 -12.335 30.162 58 2HG GLU 8 HG1 GLU 8 13.637 -11.235 29.396 59 H MET 9 HN MET 9 17.306 -8.526 30.389 60 HA MET 9 HA MET 9 16.101 -6.389 31.821 61 1HB MET 9 HB2 MET 9 18.895 -7.464 31.617 62 2HB MET 9 HB1 MET 9 18.592 -5.950 32.460 63 1HG MET 9 HG2 MET 9 17.938 -7.037 34.269 64 2HG MET 9 HG1 MET 9 16.724 -7.921 33.349 65 1HE MET 9 HE2 MET 9 16.852 -10.227 32.579 66 2HE MET 9 HE1 MET 9 18.142 -9.915 31.419 67 3HE MET 9 HE3 MET 9 18.277 -11.265 32.545 68 HA PRO 10 HA PRO 10 18.726 -3.461 29.070 69 1HB PRO 10 HB2 PRO 10 20.154 -4.449 27.012 70 2HB PRO 10 HB1 PRO 10 20.788 -4.417 28.662 71 1HG PRO 10 HG2 PRO 10 19.576 -6.691 27.141 72 2HG PRO 10 HG1 PRO 10 20.999 -6.684 28.198 73 1HD PRO 10 HD2 PRO 10 18.530 -7.551 28.985 74 2HD PRO 10 HD1 PRO 10 19.738 -6.882 30.098 75 H SER 11 HN SER 11 18.111 -2.299 27.216 76 HA SER 11 HA SER 11 15.700 -3.190 25.969 77 1HB SER 11 HB2 SER 11 17.427 -0.742 25.591 78 2HB SER 11 HB1 SER 11 15.969 -1.027 24.640 79 HG SER 11 HG SER 11 16.197 -0.660 27.437 80 HA PRO 12 HA PRO 12 17.613 -5.409 22.598 81 1HB PRO 12 HB2 PRO 12 15.371 -5.593 21.031 82 2HB PRO 12 HB1 PRO 12 15.710 -6.658 22.399 83 1HG PRO 12 HG2 PRO 12 13.947 -4.246 22.267 84 2HG PRO 12 HG1 PRO 12 13.661 -5.800 23.070 85 1HD PRO 12 HD2 PRO 12 14.429 -3.614 24.437 86 2HD PRO 12 HD1 PRO 12 14.970 -5.243 24.894 87 H THR 13 HN THR 13 18.803 -4.614 20.989 88 HA THR 13 HA THR 13 18.411 -1.967 20.001 89 HB THR 13 HB THR 13 20.262 -4.098 18.914 90 HG1 THR 13 HG1 THR 13 20.659 -2.219 21.001 91 1HG2 THR 13 3HG2 THR 13 20.365 -1.097 18.752 92 2HG2 THR 13 2HG2 THR 13 21.691 -2.172 18.310 93 3HG2 THR 13 1HG2 THR 13 20.170 -2.233 17.419 94 H PHE 14 HN PHE 14 16.726 -1.550 18.718 95 HA PHE 14 HA PHE 14 16.549 -2.930 16.168 96 1HB PHE 14 HB2 PHE 14 14.862 -3.718 18.242 97 2HB PHE 14 HB1 PHE 14 13.872 -2.631 17.275 98 HD1 PHE 14 HD1 PHE 14 13.289 -3.181 14.987 99 HD2 PHE 14 HD2 PHE 14 15.641 -5.821 17.356 100 HE1 PHE 14 HE1 PHE 14 12.879 -4.990 13.370 101 HE2 PHE 14 HE2 PHE 14 15.236 -7.635 15.743 102 HZ PHE 14 HZ PHE 14 13.854 -7.219 13.747 103 H LEU 15 HN LEU 15 14.597 -0.671 18.146 104 HA LEU 15 HA LEU 15 13.820 0.957 15.984 105 1HB LEU 15 HB2 LEU 15 12.837 0.798 18.361 106 2HB LEU 15 HB1 LEU 15 14.081 1.948 18.811 107 HG LEU 15 HG LEU 15 12.415 2.698 16.483 108 1HD1 LEU 15 3HD1 LEU 15 10.734 1.707 17.949 109 2HD1 LEU 15 2HD1 LEU 15 11.307 2.701 19.288 110 3HD1 LEU 15 1HD1 LEU 15 10.567 3.461 17.880 111 1HD2 LEU 15 1HD2 LEU 15 13.415 4.149 18.931 112 2HD2 LEU 15 3HD2 LEU 15 14.128 4.189 17.319 113 3HD2 LEU 15 2HD2 LEU 15 12.535 4.892 17.596 114 H THR 16 HN THR 16 16.388 1.388 18.416 115 HA THR 16 HA THR 16 17.378 3.839 17.515 116 HB THR 16 HB THR 16 19.012 1.609 18.742 117 HG1 THR 16 HG1 THR 16 17.367 3.559 19.980 118 1HG2 THR 16 3HG2 THR 16 19.351 4.597 18.788 119 2HG2 THR 16 2HG2 THR 16 20.245 3.470 19.808 120 3HG2 THR 16 1HG2 THR 16 20.428 3.408 18.056 121 H GLN 17 HN GLN 17 18.129 0.541 16.472 122 HA GLN 17 HA GLN 17 20.315 1.138 14.813 123 1HB GLN 17 HB2 GLN 17 19.275 -1.155 15.620 124 2HB GLN 17 HB1 GLN 17 18.429 -1.062 14.083 125 1HG GLN 17 HG2 GLN 17 21.416 -0.848 14.340 126 2HG GLN 17 HG1 GLN 17 20.567 -2.369 14.074 127 1HE2 GLN 17 1HE2 GLN 17 22.070 0.207 12.598 128 2HE2 GLN 17 2HE2 GLN 17 21.454 -0.001 10.998 129 H VAL 18 HN VAL 18 16.855 0.821 14.049 130 HA VAL 18 HA VAL 18 16.554 1.010 11.440 131 HB VAL 18 HB VAL 18 15.176 2.894 13.358 132 1HG1 VAL 18 3HG1 VAL 18 14.577 2.154 10.508 133 2HG1 VAL 18 2HG1 VAL 18 13.334 2.761 11.601 134 3HG1 VAL 18 1HG1 VAL 18 14.735 3.760 11.219 135 1HG2 VAL 18 2HG2 VAL 18 14.803 0.039 12.634 136 2HG2 VAL 18 1HG2 VAL 18 14.556 0.860 14.174 137 3HG2 VAL 18 3HG2 VAL 18 13.357 1.015 12.891 138 H LYS 19 HN LYS 19 17.310 3.956 13.321 139 HA LYS 19 HA LYS 19 17.449 5.772 11.253 140 1HB LYS 19 HB2 LYS 19 19.015 5.635 13.825 141 2HB LYS 19 HB1 LYS 19 19.117 7.004 12.728 142 1HG LYS 19 HG2 LYS 19 16.456 6.089 13.730 143 2HG LYS 19 HG1 LYS 19 17.498 7.085 14.748 144 1HD LYS 19 HD2 LYS 19 17.542 8.827 13.082 145 2HD LYS 19 HD1 LYS 19 16.648 7.814 11.947 146 1HE LYS 19 HE2 LYS 19 14.689 7.893 13.307 147 2HE LYS 19 HE1 LYS 19 15.567 8.661 14.628 148 1HZ LYS 19 HZ3 LYS 19 15.048 9.878 11.966 149 2HZ LYS 19 HZ2 LYS 19 14.224 10.252 13.395 150 3HZ LYS 19 HZ1 LYS 19 15.869 10.617 13.249 151 H GLU 20 HN GLU 20 20.210 3.968 12.613 152 HA GLU 20 HA GLU 20 22.076 4.844 10.689 153 1HB GLU 20 HB2 GLU 20 22.090 2.361 12.411 154 2HB GLU 20 HB1 GLU 20 23.466 2.939 11.481 155 1HG GLU 20 HG2 GLU 20 23.985 3.824 13.502 156 2HG GLU 20 HG1 GLU 20 23.021 5.148 12.851 157 H SER 21 HN SER 21 19.727 2.293 10.693 158 HA SER 21 HA SER 21 20.768 0.686 8.628 159 1HB SER 21 HB2 SER 21 18.671 0.424 10.299 160 2HB SER 21 HB1 SER 21 17.817 0.931 8.841 161 HG SER 21 HG SER 21 18.339 -0.896 7.880 162 H LEU 22 HN LEU 22 18.557 3.461 8.571 163 HA LEU 22 HA LEU 22 18.116 3.389 5.757 164 1HB LEU 22 HB2 LEU 22 16.887 4.640 7.809 165 2HB LEU 22 HB1 LEU 22 17.845 5.967 7.183 166 HG LEU 22 HG LEU 22 16.074 4.347 5.375 167 1HD1 LEU 22 3HD1 LEU 22 14.676 5.150 7.208 168 2HD1 LEU 22 2HD1 LEU 22 15.283 6.787 6.960 169 3HD1 LEU 22 1HD1 LEU 22 14.318 6.006 5.708 170 1HD2 LEU 22 3HD2 LEU 22 17.395 7.040 5.262 171 2HD2 LEU 22 2HD2 LEU 22 17.538 5.690 4.137 172 3HD2 LEU 22 1HD2 LEU 22 16.043 6.623 4.209 173 H SER 23 HN SER 23 20.367 5.146 7.855 174 HA SER 23 HA SER 23 21.423 6.897 5.947 175 1HB SER 23 HB2 SER 23 22.906 5.659 8.279 176 2HB SER 23 HB1 SER 23 23.328 7.152 7.443 177 HG SER 23 HG SER 23 21.394 6.676 9.353 178 H SER 24 HN SER 24 22.677 3.734 7.006 179 HA SER 24 HA SER 24 24.755 3.601 5.099 180 1HB SER 24 HB2 SER 24 23.320 1.332 6.503 181 2HB SER 24 HB1 SER 24 24.875 1.214 5.679 182 HG SER 24 HG SER 24 24.249 2.296 8.148 183 H TYR 25 HN TYR 25 21.358 3.151 4.804 184 HA TYR 25 HA TYR 25 21.467 1.425 2.499 185 1HB TYR 25 HB2 TYR 25 19.538 1.329 3.998 186 2HB TYR 25 HB1 TYR 25 19.180 3.022 3.677 187 HD1 TYR 25 HD1 TYR 25 18.021 3.687 1.691 188 HD2 TYR 25 HD2 TYR 25 19.186 -0.369 2.232 189 HE1 TYR 25 HE1 TYR 25 16.592 3.031 -0.199 190 HE2 TYR 25 HE2 TYR 25 17.760 -1.036 0.344 191 HH TYR 25 HH TYR 25 16.797 0.625 -1.914 192 H TRP 26 HN TRP 26 20.965 4.876 3.119 193 HA TRP 26 HA TRP 26 20.384 5.643 0.470 194 1HB TRP 26 HB2 TRP 26 19.990 7.027 2.532 195 2HB TRP 26 HB1 TRP 26 21.722 7.335 2.590 196 HD1 TRP 26 HD1 TRP 26 22.123 9.725 1.793 197 HE1 TRP 26 HE1 TRP 26 21.267 11.206 -0.129 198 HE3 TRP 26 HE3 TRP 26 18.710 6.512 -0.251 199 HZ2 TRP 26 HZ2 TRP 26 19.392 11.036 -2.233 200 HZ3 TRP 26 HZ3 TRP 26 17.427 7.250 -2.215 201 HH2 TRP 26 HH2 TRP 26 17.761 9.465 -3.185 202 H GLU 27 HN GLU 27 23.411 5.259 2.215 203 HA GLU 27 HA GLU 27 25.290 6.482 0.703 204 1HB GLU 27 HB2 GLU 27 25.455 3.686 1.842 205 2HB GLU 27 HB1 GLU 27 26.836 4.615 1.280 206 1HG GLU 27 HG2 GLU 27 25.102 5.092 3.672 207 2HG GLU 27 HG1 GLU 27 26.848 4.871 3.595 208 H SER 28 HN SER 28 24.306 3.108 0.115 209 HA SER 28 HA SER 28 25.356 3.250 -2.596 210 1HB SER 28 HB2 SER 28 24.254 0.987 -0.927 211 2HB SER 28 HB1 SER 28 24.693 0.795 -2.625 212 HG SER 28 HG SER 28 26.684 0.628 -2.010 213 H ALA 29 HN ALA 29 22.458 4.057 -1.172 214 HA ALA 29 HA ALA 29 20.533 2.889 -2.853 215 1HB ALA 29 HB1 ALA 29 19.839 3.995 -0.846 216 2HB ALA 29 HB2 ALA 29 19.095 4.819 -2.215 217 3HB ALA 29 HB3 ALA 29 20.491 5.532 -1.409 218 H LYS 30 HN LYS 30 22.598 5.709 -3.311 219 HA LYS 30 HA LYS 30 21.336 6.932 -5.448 220 1HB LYS 30 HB2 LYS 30 24.232 6.700 -4.690 221 2HB LYS 30 HB1 LYS 30 23.753 7.561 -6.146 222 1HG LYS 30 HG2 LYS 30 22.794 9.278 -4.988 223 2HG LYS 30 HG1 LYS 30 22.412 8.270 -3.590 224 1HD LYS 30 HD2 LYS 30 25.282 8.651 -4.188 225 2HD LYS 30 HD1 LYS 30 24.407 10.073 -3.619 226 1HE LYS 30 HE2 LYS 30 24.048 7.498 -2.165 227 2HE LYS 30 HE1 LYS 30 25.548 8.392 -1.933 228 1HZ LYS 30 HZ1 LYS 30 22.842 9.553 -1.554 229 2HZ LYS 30 HZ3 LYS 30 23.799 8.939 -0.300 230 3HZ LYS 30 HZ2 LYS 30 24.320 10.285 -1.182 231 H THR 31 HN THR 31 23.791 4.358 -5.607 232 HA THR 31 HA THR 31 23.984 4.025 -8.332 233 HB THR 31 HB THR 31 23.870 1.714 -6.385 234 HG1 THR 31 HG1 THR 31 26.020 3.492 -6.899 235 1HG2 THR 31 3HG2 THR 31 25.476 2.124 -8.896 236 2HG2 THR 31 2HG2 THR 31 25.614 0.749 -7.798 237 3HG2 THR 31 1HG2 THR 31 24.115 1.022 -8.686 238 H ALA 32 HN ALA 32 21.523 2.861 -6.104 239 HA ALA 32 HA ALA 32 20.076 1.254 -7.918 240 1HB ALA 32 HB3 ALA 32 18.665 2.723 -5.739 241 2HB ALA 32 HB2 ALA 32 18.489 1.050 -6.268 242 3HB ALA 32 HB1 ALA 32 19.891 1.529 -5.311 243 H ALA 33 HN ALA 33 19.785 4.686 -7.016 244 HA ALA 33 HA ALA 33 17.511 5.388 -8.398 245 1HB ALA 33 HB2 ALA 33 18.963 6.850 -6.906 246 2HB ALA 33 HB1 ALA 33 19.936 7.158 -8.344 247 3HB ALA 33 HB3 ALA 33 18.237 7.626 -8.314 248 H GLN 34 HN GLN 34 20.830 5.539 -9.696 249 HA GLN 34 HA GLN 34 20.014 6.157 -12.331 250 1HB GLN 34 HB2 GLN 34 22.566 4.869 -11.339 251 2HB GLN 34 HB1 GLN 34 22.319 5.464 -12.975 252 1HG GLN 34 HG2 GLN 34 22.747 7.564 -12.387 253 2HG GLN 34 HG1 GLN 34 21.716 7.467 -10.961 254 1HE2 GLN 34 1HE2 GLN 34 24.911 7.436 -12.154 255 2HE2 GLN 34 2HE2 GLN 34 25.718 7.191 -10.646 256 H ASN 35 HN ASN 35 20.553 3.143 -10.609 257 HA ASN 35 HA ASN 35 20.450 1.401 -12.820 258 1HB ASN 35 HB2 ASN 35 21.176 0.829 -10.448 259 2HB ASN 35 HB1 ASN 35 19.463 0.722 -10.050 260 1HD2 ASN 35 1HD2 ASN 35 21.910 -0.546 -12.271 261 2HD2 ASN 35 2HD2 ASN 35 21.204 -2.116 -12.425 262 H LEU 36 HN LEU 36 17.972 3.030 -11.031 263 HA LEU 36 HA LEU 36 15.723 1.519 -11.726 264 1HB LEU 36 HB2 LEU 36 15.924 3.557 -10.134 265 2HB LEU 36 HB1 LEU 36 15.703 4.528 -11.577 266 HG LEU 36 HG LEU 36 13.689 2.406 -11.120 267 1HD1 LEU 36 1HD1 LEU 36 14.020 3.252 -8.853 268 2HD1 LEU 36 3HD1 LEU 36 13.780 4.901 -9.432 269 3HD1 LEU 36 2HD1 LEU 36 12.454 3.741 -9.502 270 1HD2 LEU 36 2HD2 LEU 36 13.560 5.301 -11.959 271 2HD2 LEU 36 1HD2 LEU 36 13.527 3.897 -13.027 272 3HD2 LEU 36 3HD2 LEU 36 12.192 4.188 -11.912 273 H TYR 37 HN TYR 37 17.367 4.207 -13.283 274 HA TYR 37 HA TYR 37 15.743 4.349 -15.600 275 1HB TYR 37 HB2 TYR 37 17.956 5.750 -14.575 276 2HB TYR 37 HB1 TYR 37 18.492 5.100 -16.121 277 HD1 TYR 37 HD1 TYR 37 16.867 7.789 -14.557 278 HD2 TYR 37 HD2 TYR 37 16.785 5.452 -18.111 279 HE1 TYR 37 HE1 TYR 37 15.696 9.611 -15.722 280 HE2 TYR 37 HE2 TYR 37 15.616 7.268 -19.285 281 HH TYR 37 HH TYR 37 13.983 9.411 -18.199 282 H GLU 38 HN GLU 38 18.597 2.519 -14.709 283 HA GLU 38 HA GLU 38 19.336 1.494 -17.191 284 1HB GLU 38 HB2 GLU 38 19.633 0.240 -14.458 285 2HB GLU 38 HB1 GLU 38 20.428 -0.347 -15.909 286 1HG GLU 38 HG2 GLU 38 20.949 2.125 -14.331 287 2HG GLU 38 HG1 GLU 38 22.079 0.909 -14.921 288 H LYS 39 HN LYS 39 17.274 -0.008 -14.730 289 HA LYS 39 HA LYS 39 16.618 -2.327 -16.125 290 1HB LYS 39 HB2 LYS 39 15.291 -0.784 -13.928 291 2HB LYS 39 HB1 LYS 39 14.467 -2.161 -14.647 292 1HG LYS 39 HG2 LYS 39 17.267 -2.577 -13.792 293 2HG LYS 39 HG1 LYS 39 16.059 -2.367 -12.524 294 1HD LYS 39 HD2 LYS 39 15.212 -4.406 -12.865 295 2HD LYS 39 HD1 LYS 39 15.156 -4.173 -14.614 296 1HE LYS 39 HE2 LYS 39 17.259 -5.052 -14.934 297 2HE LYS 39 HE1 LYS 39 17.790 -4.655 -13.301 298 1HZ LYS 39 HZ2 LYS 39 15.788 -6.757 -13.920 299 2HZ LYS 39 HZ1 LYS 39 17.437 -7.062 -13.706 300 3HZ LYS 39 HZ3 LYS 39 16.516 -6.450 -12.425 301 H THR 40 HN THR 40 15.641 0.897 -16.777 302 HA THR 40 HA THR 40 13.108 0.272 -17.967 303 HB THR 40 HB THR 40 14.813 2.703 -18.512 304 HG1 THR 40 HG1 THR 40 14.178 3.533 -16.660 305 1HG2 THR 40 2HG2 THR 40 11.832 2.303 -18.576 306 2HG2 THR 40 1HG2 THR 40 12.663 3.845 -18.781 307 3HG2 THR 40 3HG2 THR 40 12.891 2.557 -19.964 308 H TYR 41 HN TYR 41 16.392 0.712 -19.132 309 HA TYR 41 HA TYR 41 15.823 0.569 -21.897 310 1HB TYR 41 HB2 TYR 41 18.435 -0.346 -20.719 311 2HB TYR 41 HB1 TYR 41 18.143 0.445 -22.261 312 HD1 TYR 41 HD1 TYR 41 20.018 1.056 -19.731 313 HD2 TYR 41 HD2 TYR 41 16.447 2.745 -21.316 314 HE1 TYR 41 HE1 TYR 41 20.593 3.217 -18.712 315 HE2 TYR 41 HE2 TYR 41 17.014 4.910 -20.300 316 HH TYR 41 HH TYR 41 19.625 5.948 -19.511 317 H LEU 42 HN LEU 42 17.253 -1.937 -19.772 318 HA LEU 42 HA LEU 42 16.826 -3.969 -21.777 319 1HB LEU 42 HB2 LEU 42 17.962 -4.039 -18.991 320 2HB LEU 42 HB1 LEU 42 17.765 -5.480 -19.970 321 HG LEU 42 HG LEU 42 19.149 -3.914 -21.694 322 1HD1 LEU 42 1HD1 LEU 42 19.896 -3.073 -18.914 323 2HD1 LEU 42 3HD1 LEU 42 21.046 -3.004 -20.248 324 3HD1 LEU 42 2HD1 LEU 42 19.554 -2.066 -20.321 325 1HD2 LEU 42 2HD2 LEU 42 20.272 -5.717 -19.553 326 2HD2 LEU 42 1HD2 LEU 42 19.680 -6.211 -21.140 327 3HD2 LEU 42 3HD2 LEU 42 21.126 -5.210 -21.011 328 HA PRO 43 HA PRO 43 13.054 -5.605 -20.088 329 1HB PRO 43 HB2 PRO 43 12.917 -7.872 -21.482 330 2HB PRO 43 HB1 PRO 43 12.872 -6.304 -22.295 331 1HG PRO 43 HG2 PRO 43 15.088 -8.277 -22.109 332 2HG PRO 43 HG1 PRO 43 14.683 -7.162 -23.423 333 1HD PRO 43 HD2 PRO 43 16.646 -6.796 -21.409 334 2HD PRO 43 HD1 PRO 43 16.102 -5.602 -22.603 335 H ALA 44 HN ALA 44 15.531 -6.183 -18.472 336 HA ALA 44 HA ALA 44 15.583 -8.897 -17.693 337 1HB ALA 44 HB1 ALA 44 16.513 -6.397 -16.303 338 2HB ALA 44 HB3 ALA 44 16.786 -8.020 -15.673 339 3HB ALA 44 HB2 ALA 44 17.478 -7.550 -17.224 340 H VAL 45 HN VAL 45 13.324 -6.428 -16.988 341 HA VAL 45 HA VAL 45 12.486 -6.997 -14.414 342 HB VAL 45 HB VAL 45 11.668 -5.071 -15.709 343 1HG1 VAL 45 3HG1 VAL 45 11.314 -6.394 -17.833 344 2HG1 VAL 45 2HG1 VAL 45 9.799 -6.955 -17.125 345 3HG1 VAL 45 1HG1 VAL 45 10.049 -5.235 -17.423 346 1HG2 VAL 45 1HG2 VAL 45 10.461 -5.969 -13.699 347 2HG2 VAL 45 3HG2 VAL 45 9.471 -5.011 -14.800 348 3HG2 VAL 45 2HG2 VAL 45 9.350 -6.771 -14.810 349 H ASP 46 HN ASP 46 11.611 -8.596 -17.448 350 HA ASP 46 HA ASP 46 9.617 -10.283 -16.320 351 1HB ASP 46 HB2 ASP 46 11.245 -10.790 -18.819 352 2HB ASP 46 HB1 ASP 46 9.677 -11.483 -18.417 353 H GLU 47 HN GLU 47 13.098 -10.587 -16.820 354 HA GLU 47 HA GLU 47 13.273 -13.356 -16.175 355 1HB GLU 47 HB2 GLU 47 15.067 -12.262 -17.388 356 2HB GLU 47 HB1 GLU 47 15.345 -11.155 -16.053 357 1HG GLU 47 HG2 GLU 47 17.022 -12.955 -16.212 358 2HG GLU 47 HG1 GLU 47 16.169 -12.925 -14.670 359 H LYS 48 HN LYS 48 13.670 -10.391 -14.256 360 HA LYS 48 HA LYS 48 14.472 -11.519 -11.845 361 1HB LYS 48 HB2 LYS 48 12.800 -9.059 -12.358 362 2HB LYS 48 HB1 LYS 48 13.466 -9.480 -10.787 363 1HG LYS 48 HG2 LYS 48 15.036 -8.885 -13.287 364 2HG LYS 48 HG1 LYS 48 14.851 -7.831 -11.887 365 1HD LYS 48 HD2 LYS 48 16.836 -8.757 -11.306 366 2HD LYS 48 HD1 LYS 48 15.792 -10.024 -10.661 367 1HE LYS 48 HE2 LYS 48 17.500 -11.098 -11.920 368 2HE LYS 48 HE1 LYS 48 16.017 -11.202 -12.866 369 1HZ LYS 48 HZ2 LYS 48 18.141 -9.170 -13.289 370 2HZ LYS 48 HZ1 LYS 48 17.979 -10.590 -14.193 371 3HZ LYS 48 HZ3 LYS 48 16.769 -9.409 -14.248 372 H LEU 49 HN LEU 49 11.314 -11.513 -13.320 373 HA LEU 49 HA LEU 49 9.756 -11.989 -11.018 374 1HB LEU 49 HB2 LEU 49 9.302 -11.777 -13.789 375 2HB LEU 49 HB1 LEU 49 8.709 -13.362 -13.332 376 HG LEU 49 HG LEU 49 6.874 -11.851 -13.210 377 1HD1 LEU 49 1HD1 LEU 49 7.472 -13.478 -11.215 378 2HD1 LEU 49 3HD1 LEU 49 7.570 -11.958 -10.326 379 3HD1 LEU 49 2HD1 LEU 49 6.076 -12.403 -11.150 380 1HD2 LEU 49 1HD2 LEU 49 8.286 -9.793 -13.060 381 2HD2 LEU 49 3HD2 LEU 49 6.875 -9.793 -12.001 382 3HD2 LEU 49 2HD2 LEU 49 8.477 -10.119 -11.337 383 H ARG 50 HN ARG 50 10.653 -14.341 -13.545 384 HA ARG 50 HA ARG 50 10.127 -16.614 -11.957 385 1HB ARG 50 HB2 ARG 50 11.383 -16.068 -14.575 386 2HB ARG 50 HB1 ARG 50 11.932 -17.536 -13.780 387 1HG ARG 50 HG2 ARG 50 10.112 -18.045 -15.267 388 2HG ARG 50 HG1 ARG 50 9.596 -18.287 -13.598 389 1HD ARG 50 HD2 ARG 50 9.113 -15.628 -14.834 390 2HD ARG 50 HD1 ARG 50 8.107 -16.976 -15.361 391 HE ARG 50 HE ARG 50 8.036 -17.082 -12.629 392 1HH1 ARG 50 1HH1 ARG 50 7.254 -14.650 -15.023 393 2HH1 ARG 50 2HH1 ARG 50 6.029 -13.910 -14.049 394 1HH2 ARG 50 1HH2 ARG 50 6.423 -16.105 -11.354 395 2HH2 ARG 50 2HH2 ARG 50 5.556 -14.737 -11.962 396 H ASP 51 HN ASP 51 12.976 -14.618 -12.431 397 HA ASP 51 HA ASP 51 14.955 -16.268 -11.372 398 1HB ASP 51 HB2 ASP 51 15.670 -14.284 -12.433 399 2HB ASP 51 HB1 ASP 51 14.628 -13.276 -11.436 400 H LEU 52 HN LEU 52 13.100 -13.753 -9.646 401 HA LEU 52 HA LEU 52 14.072 -14.539 -7.083 402 1HB LEU 52 HB2 LEU 52 11.720 -12.803 -7.838 403 2HB LEU 52 HB1 LEU 52 12.361 -12.974 -6.215 404 HG LEU 52 HG LEU 52 14.072 -11.978 -8.480 405 1HD1 LEU 52 1HD1 LEU 52 12.331 -10.338 -6.645 406 2HD1 LEU 52 3HD1 LEU 52 13.550 -9.698 -7.747 407 3HD1 LEU 52 2HD1 LEU 52 12.130 -10.524 -8.387 408 1HD2 LEU 52 1HD2 LEU 52 14.217 -11.664 -5.484 409 2HD2 LEU 52 3HD2 LEU 52 15.232 -12.713 -6.474 410 3HD2 LEU 52 2HD2 LEU 52 15.341 -10.961 -6.646 411 H TYR 53 HN TYR 53 11.521 -15.700 -9.094 412 HA TYR 53 HA TYR 53 9.771 -16.651 -7.077 413 1HB TYR 53 HB2 TYR 53 9.976 -16.827 -9.966 414 2HB TYR 53 HB1 TYR 53 9.479 -18.364 -9.269 415 HD1 TYR 53 HD1 TYR 53 8.702 -14.788 -8.475 416 HD2 TYR 53 HD2 TYR 53 7.197 -18.650 -9.439 417 HE1 TYR 53 HE1 TYR 53 6.406 -13.941 -8.257 418 HE2 TYR 53 HE2 TYR 53 4.895 -17.811 -9.224 419 HH TYR 53 HH TYR 53 3.867 -15.609 -7.752 420 H SER 54 HN SER 54 12.349 -18.261 -8.946 421 HA SER 54 HA SER 54 12.101 -20.790 -7.744 422 1HB SER 54 HB2 SER 54 13.439 -20.150 -9.839 423 2HB SER 54 HB1 SER 54 14.716 -19.650 -8.731 424 HG SER 54 HG SER 54 15.223 -21.706 -9.016 425 H LYS 55 HN LYS 55 14.222 -18.043 -6.953 426 HA LYS 55 HA LYS 55 15.538 -19.239 -4.774 427 1HB LYS 55 HB2 LYS 55 14.975 -16.323 -5.344 428 2HB LYS 55 HB1 LYS 55 16.067 -16.896 -4.091 429 1HG LYS 55 HG2 LYS 55 16.394 -17.505 -7.021 430 2HG LYS 55 HG1 LYS 55 17.189 -16.169 -6.186 431 1HD LYS 55 HD2 LYS 55 18.779 -17.522 -5.413 432 2HD LYS 55 HD1 LYS 55 17.578 -18.625 -4.736 433 1HE LYS 55 HE2 LYS 55 18.305 -18.617 -7.655 434 2HE LYS 55 HE1 LYS 55 19.178 -19.582 -6.467 435 1HZ LYS 55 HZ3 LYS 55 16.941 -20.542 -5.863 436 2HZ LYS 55 HZ2 LYS 55 16.336 -19.813 -7.265 437 3HZ LYS 55 HZ1 LYS 55 17.551 -20.984 -7.378 438 H SER 56 HN SER 56 12.606 -17.250 -4.935 439 HA SER 56 HA SER 56 12.150 -17.037 -2.174 440 1HB SER 56 HB2 SER 56 10.406 -16.757 -4.595 441 2HB SER 56 HB1 SER 56 9.685 -16.719 -2.986 442 HG SER 56 HG SER 56 10.729 -14.881 -2.539 443 H THR 57 HN THR 57 10.903 -19.455 -4.509 444 HA THR 57 HA THR 57 9.197 -20.784 -2.751 445 HB THR 57 HB THR 57 9.593 -22.792 -4.276 446 HG1 THR 57 HG1 THR 57 11.549 -22.477 -5.144 447 1HG2 THR 57 2HG2 THR 57 8.755 -20.150 -5.423 448 2HG2 THR 57 1HG2 THR 57 8.615 -21.676 -6.296 449 3HG2 THR 57 3HG2 THR 57 7.732 -21.438 -4.789 450 H ALA 58 HN ALA 58 12.677 -20.981 -3.060 451 HA ALA 58 HA ALA 58 12.841 -23.337 -1.366 452 1HB ALA 58 HB1 ALA 58 15.275 -23.095 -1.650 453 2HB ALA 58 HB3 ALA 58 14.422 -23.140 -3.193 454 3HB ALA 58 HB2 ALA 58 15.007 -21.604 -2.553 455 H ALA 59 HN ALA 59 13.953 -19.949 -1.213 456 HA ALA 59 HA ALA 59 14.861 -20.027 1.449 457 1HB ALA 59 HB1 ALA 59 14.762 -17.555 1.337 458 2HB ALA 59 HB2 ALA 59 13.935 -17.691 -0.215 459 3HB ALA 59 HB3 ALA 59 15.586 -18.285 -0.042 460 H MET 60 HN MET 60 11.845 -18.594 0.172 461 HA MET 60 HA MET 60 10.709 -18.016 2.669 462 1HB MET 60 HB2 MET 60 9.368 -18.485 0.007 463 2HB MET 60 HB1 MET 60 8.556 -17.844 1.427 464 1HG MET 60 HG2 MET 60 11.009 -16.432 0.632 465 2HG MET 60 HG1 MET 60 9.668 -16.332 -0.507 466 1HE MET 60 HE3 MET 60 10.941 -15.651 3.074 467 2HE MET 60 HE2 MET 60 9.578 -14.854 3.858 468 3HE MET 60 HE1 MET 60 9.497 -16.575 3.484 469 H SER 61 HN SER 61 11.162 -21.081 1.256 470 HA SER 61 HA SER 61 8.810 -22.385 2.150 471 1HB SER 61 HB2 SER 61 11.096 -23.116 0.703 472 2HB SER 61 HB1 SER 61 11.124 -24.134 2.142 473 HG SER 61 HG SER 61 9.317 -25.096 1.521 474 H THR 62 HN THR 62 11.580 -21.236 3.808 475 HA THR 62 HA THR 62 11.015 -22.892 6.164 476 HB THR 62 HB THR 62 13.366 -21.042 5.697 477 HG1 THR 62 HG1 THR 62 13.878 -22.563 4.323 478 1HG2 THR 62 1HG2 THR 62 12.884 -23.206 7.727 479 2HG2 THR 62 3HG2 THR 62 14.457 -22.474 7.410 480 3HG2 THR 62 2HG2 THR 62 13.132 -21.486 8.024 481 H TYR 63 HN TYR 63 11.574 -19.506 5.209 482 HA TYR 63 HA TYR 63 10.877 -18.354 7.670 483 1HB TYR 63 HB2 TYR 63 10.751 -17.118 4.913 484 2HB TYR 63 HB1 TYR 63 10.768 -16.244 6.441 485 HD1 TYR 63 HD1 TYR 63 12.738 -17.290 3.762 486 HD2 TYR 63 HD2 TYR 63 12.859 -16.868 7.993 487 HE1 TYR 63 HE1 TYR 63 15.193 -17.213 3.677 488 HE2 TYR 63 HE2 TYR 63 15.315 -16.788 7.921 489 HH TYR 63 HH TYR 63 17.131 -17.835 5.877 490 H THR 64 HN THR 64 8.920 -19.776 5.219 491 HA THR 64 HA THR 64 6.608 -18.167 5.632 492 HB THR 64 HB THR 64 7.125 -20.799 4.311 493 HG1 THR 64 HG1 THR 64 5.895 -18.376 3.496 494 1HG2 THR 64 1HG2 THR 64 4.407 -19.812 5.099 495 2HG2 THR 64 3HG2 THR 64 4.664 -20.826 3.677 496 3HG2 THR 64 2HG2 THR 64 5.094 -21.426 5.279 497 H GLY 65 HN GLY 65 7.275 -21.514 6.658 498 1HA GLY 65 HA1 GLY 65 6.577 -22.672 8.520 499 2HA GLY 65 HA2 GLY 65 5.161 -21.626 8.526 500 H ILE 66 HN ILE 66 8.523 -20.609 8.773 501 HA ILE 66 HA ILE 66 8.641 -20.334 11.584 502 HB ILE 66 HB ILE 66 10.237 -19.056 9.368 503 1HG1 ILE 66 2HG1 ILE 66 10.539 -21.485 9.798 504 2HG1 ILE 66 1HG1 ILE 66 11.999 -20.552 10.108 505 1HG2 ILE 66 1HG2 ILE 66 10.414 -18.601 12.324 506 2HG2 ILE 66 3HG2 ILE 66 11.834 -18.447 11.290 507 3HG2 ILE 66 2HG2 ILE 66 10.427 -17.420 11.014 508 1HD1 ILE 66 2HD1 ILE 66 11.524 -20.629 12.506 509 2HD1 ILE 66 1HD1 ILE 66 10.079 -21.585 12.182 510 3HD1 ILE 66 3HD1 ILE 66 11.672 -22.241 11.808 511 H PHE 67 HN PHE 67 8.289 -17.819 9.067 512 HA PHE 67 HA PHE 67 7.809 -15.642 10.703 513 1HB PHE 67 HB2 PHE 67 8.125 -15.413 8.290 514 2HB PHE 67 HB1 PHE 67 6.579 -16.200 7.993 515 HD1 PHE 67 HD1 PHE 67 8.165 -13.177 9.410 516 HD2 PHE 67 HD2 PHE 67 4.565 -14.985 8.036 517 HE1 PHE 67 HE1 PHE 67 7.041 -10.990 9.488 518 HE2 PHE 67 HE2 PHE 67 3.435 -12.800 8.110 519 HZ PHE 67 HZ PHE 67 4.674 -10.799 8.836 520 H THR 68 HN THR 68 5.334 -17.733 9.211 521 HA THR 68 HA THR 68 3.151 -16.552 10.538 522 HB THR 68 HB THR 68 1.876 -18.544 9.830 523 HG1 THR 68 HG1 THR 68 3.120 -20.267 9.902 524 1HG2 THR 68 2HG2 THR 68 3.736 -17.513 7.703 525 2HG2 THR 68 1HG2 THR 68 2.255 -18.425 7.415 526 3HG2 THR 68 3HG2 THR 68 2.177 -16.829 8.162 527 H ASP 69 HN ASP 69 5.506 -18.794 11.627 528 HA ASP 69 HA ASP 69 4.072 -20.224 13.556 529 1HB ASP 69 HB2 ASP 69 6.701 -20.142 12.781 530 2HB ASP 69 HB1 ASP 69 6.783 -19.443 14.393 531 H GLN 70 HN GLN 70 6.038 -17.286 14.064 532 HA GLN 70 HA GLN 70 5.049 -16.841 16.695 533 1HB GLN 70 HB2 GLN 70 6.538 -15.043 14.778 534 2HB GLN 70 HB1 GLN 70 6.143 -14.587 16.429 535 1HG GLN 70 HG2 GLN 70 8.231 -15.367 16.789 536 2HG GLN 70 HG1 GLN 70 7.360 -16.891 16.942 537 1HE2 GLN 70 1HE2 GLN 70 9.174 -14.878 14.680 538 2HE2 GLN 70 2HE2 GLN 70 9.738 -16.180 13.695 539 H VAL 71 HN VAL 71 3.922 -15.958 13.540 540 HA VAL 71 HA VAL 71 2.285 -13.754 14.279 541 HB VAL 71 HB VAL 71 2.087 -15.629 11.910 542 1HG1 VAL 71 3HG1 VAL 71 0.551 -13.133 12.579 543 2HG1 VAL 71 2HG1 VAL 71 0.719 -13.726 10.927 544 3HG1 VAL 71 1HG1 VAL 71 -0.075 -14.724 12.145 545 1HG2 VAL 71 1HG2 VAL 71 4.069 -13.905 12.367 546 2HG2 VAL 71 3HG2 VAL 71 3.440 -14.221 10.750 547 3HG2 VAL 71 2HG2 VAL 71 2.907 -12.795 11.641 548 H LEU 72 HN LEU 72 1.584 -17.159 13.588 549 HA LEU 72 HA LEU 72 -1.114 -17.173 14.328 550 1HB LEU 72 HB2 LEU 72 0.981 -19.347 14.384 551 2HB LEU 72 HB1 LEU 72 -0.705 -19.643 14.760 552 HG LEU 72 HG LEU 72 0.013 -18.375 12.145 553 1HD1 LEU 72 1HD1 LEU 72 1.470 -20.359 12.398 554 2HD1 LEU 72 3HD1 LEU 72 0.032 -21.347 12.651 555 3HD1 LEU 72 2HD1 LEU 72 0.282 -20.530 11.107 556 1HD2 LEU 72 3HD2 LEU 72 -2.332 -18.504 12.833 557 2HD2 LEU 72 2HD2 LEU 72 -2.017 -19.507 11.417 558 3HD2 LEU 72 1HD2 LEU 72 -2.186 -20.253 13.007 559 H SER 73 HN SER 73 1.868 -17.466 16.167 560 HA SER 73 HA SER 73 0.794 -18.275 18.626 561 1HB SER 73 HB2 SER 73 3.282 -18.004 17.881 562 2HB SER 73 HB1 SER 73 3.103 -16.359 18.492 563 HG SER 73 HG SER 73 3.129 -18.783 19.866 564 H VAL 74 HN VAL 74 1.125 -15.082 17.191 565 HA VAL 74 HA VAL 74 0.215 -13.650 19.491 566 HB VAL 74 HB VAL 74 0.189 -12.747 16.602 567 1HG1 VAL 74 1HG1 VAL 74 -0.194 -11.340 19.214 568 2HG1 VAL 74 3HG1 VAL 74 0.498 -10.480 17.837 569 3HG1 VAL 74 2HG1 VAL 74 -1.111 -11.192 17.715 570 1HG2 VAL 74 2HG2 VAL 74 2.390 -13.293 18.345 571 2HG2 VAL 74 1HG2 VAL 74 2.407 -12.705 16.682 572 3HG2 VAL 74 3HG2 VAL 74 2.316 -11.561 18.022 573 H LEU 75 HN LEU 75 -1.376 -15.527 17.105 574 HA LEU 75 HA LEU 75 -3.863 -14.187 16.978 575 1HB LEU 75 HB2 LEU 75 -2.787 -16.312 15.681 576 2HB LEU 75 HB1 LEU 75 -3.882 -17.132 16.775 577 HG LEU 75 HG LEU 75 -4.891 -16.730 14.572 578 1HD1 LEU 75 1HD1 LEU 75 -6.263 -16.813 16.648 579 2HD1 LEU 75 3HD1 LEU 75 -6.223 -15.050 16.685 580 3HD1 LEU 75 2HD1 LEU 75 -6.990 -15.886 15.336 581 1HD2 LEU 75 2HD2 LEU 75 -3.655 -14.613 14.114 582 2HD2 LEU 75 1HD2 LEU 75 -5.384 -14.529 13.777 583 3HD2 LEU 75 3HD2 LEU 75 -4.734 -13.796 15.244 584 H LYS 76 HN LYS 76 -2.544 -16.624 19.104 585 HA LYS 76 HA LYS 76 -4.945 -17.102 20.569 586 1HB LYS 76 HB2 LYS 76 -2.053 -17.655 21.246 587 2HB LYS 76 HB1 LYS 76 -3.411 -18.193 22.224 588 1HG LYS 76 HG2 LYS 76 -4.185 -19.640 20.522 589 2HG LYS 76 HG1 LYS 76 -3.098 -18.928 19.327 590 1HD LYS 76 HD2 LYS 76 -1.183 -19.738 20.748 591 2HD LYS 76 HD1 LYS 76 -2.367 -20.633 21.703 592 1HE LYS 76 HE2 LYS 76 -3.111 -21.663 19.487 593 2HE LYS 76 HE1 LYS 76 -1.618 -21.007 18.818 594 1HZ LYS 76 HZ1 LYS 76 -0.377 -22.266 20.481 595 2HZ LYS 76 HZ3 LYS 76 -1.818 -22.915 21.085 596 3HZ LYS 76 HZ2 LYS 76 -1.316 -23.288 19.514 597 H GLY 77 HN GLY 77 -2.103 -15.040 21.107 598 1HA GLY 77 HA1 GLY 77 -1.717 -13.327 22.584 599 2HA GLY 77 HA2 GLY 77 -2.829 -14.128 23.681 600 H GLU 78 HN GLU 78 -3.416 -12.734 20.458 601 HA GLU 78 HA GLU 78 -4.794 -10.451 21.528 602 1HB GLU 78 HB2 GLU 78 -4.625 -11.496 18.696 603 2HB GLU 78 HB1 GLU 78 -5.305 -9.943 19.160 604 1HG GLU 78 HG2 GLU 78 -2.442 -10.829 19.399 605 2HG GLU 78 HG1 GLU 78 -3.097 -9.585 18.337 606 H GLU 79 HN GLU 79 -5.821 -13.333 19.685 607 HA GLU 79 HA GLU 79 -8.606 -12.748 20.397 608 1HB GLU 79 HB2 GLU 79 -7.380 -14.588 18.342 609 2HB GLU 79 HB1 GLU 79 -9.092 -14.612 18.735 610 1HG GLU 79 HG2 GLU 79 -8.782 -13.303 16.769 611 2HG GLU 79 HG1 GLU 79 -9.226 -12.225 18.091 No H/Q in entry = 611 Start of MODEL 28 1 H1 THR 1 HT1 THR 1 15.671 9.440 39.018 2 H2 THR 1 HT3 THR 1 15.205 7.828 39.364 3 H3 THR 1 HT2 THR 1 15.275 8.990 40.626 4 HA THR 1 HA THR 1 17.595 9.157 40.456 5 HB THR 1 HB THR 1 18.187 6.759 40.974 6 HG1 THR 1 HG1 THR 1 16.933 5.411 39.947 7 1HG2 THR 1 2HG2 THR 1 17.173 8.299 42.675 8 2HG2 THR 1 1HG2 THR 1 15.618 7.551 42.307 9 3HG2 THR 1 3HG2 THR 1 16.933 6.575 42.961 10 H GLN 2 HN GLN 2 19.605 8.466 39.516 11 HA GLN 2 HA GLN 2 19.484 8.310 36.652 12 1HB GLN 2 HB2 GLN 2 21.211 9.645 37.759 13 2HB GLN 2 HB1 GLN 2 21.850 8.203 38.535 14 1HG GLN 2 HG2 GLN 2 23.197 8.911 36.620 15 2HG GLN 2 HG1 GLN 2 22.518 7.298 36.401 16 1HE2 GLN 2 1HE2 GLN 2 22.150 10.688 35.516 17 2HE2 GLN 2 2HE2 GLN 2 21.335 10.398 34.020 18 H GLN 3 HN GLN 3 19.094 6.471 35.618 19 HA GLN 3 HA GLN 3 19.114 4.300 34.982 20 1HB GLN 3 HB2 GLN 3 21.737 4.426 36.463 21 2HB GLN 3 HB1 GLN 3 21.183 2.957 35.672 22 1HG GLN 3 HG2 GLN 3 21.561 3.761 33.594 23 2HG GLN 3 HG1 GLN 3 21.173 5.421 34.044 24 1HE2 GLN 3 1HE2 GLN 3 23.644 2.918 34.263 25 2HE2 GLN 3 2HE2 GLN 3 24.982 4.000 34.421 26 HA PRO 4 HA PRO 4 17.327 3.223 39.212 27 1HB PRO 4 HB2 PRO 4 14.962 2.723 37.501 28 2HB PRO 4 HB1 PRO 4 15.078 3.592 39.034 29 1HG PRO 4 HG2 PRO 4 14.721 4.897 36.731 30 2HG PRO 4 HG1 PRO 4 15.740 5.564 38.021 31 1HD PRO 4 HD2 PRO 4 16.544 4.192 35.485 32 2HD PRO 4 HD1 PRO 4 17.270 5.601 36.284 33 H GLN 5 HN GLN 5 17.212 1.741 36.013 34 HA GLN 5 HA GLN 5 16.536 -0.877 36.937 35 1HB GLN 5 HB2 GLN 5 16.718 0.382 34.453 36 2HB GLN 5 HB1 GLN 5 17.977 -0.843 34.415 37 1HG GLN 5 HG2 GLN 5 15.222 -1.554 35.318 38 2HG GLN 5 HG1 GLN 5 15.590 -1.420 33.600 39 1HE2 GLN 5 1HE2 GLN 5 16.470 -3.118 32.606 40 2HE2 GLN 5 2HE2 GLN 5 17.099 -4.521 33.395 41 H GLN 6 HN GLN 6 17.831 -2.044 38.187 42 HA GLN 6 HA GLN 6 20.619 -1.599 38.443 43 1HB GLN 6 HB2 GLN 6 18.649 -3.528 39.539 44 2HB GLN 6 HB1 GLN 6 20.332 -4.032 39.559 45 1HG GLN 6 HG2 GLN 6 19.714 -2.988 41.654 46 2HG GLN 6 HG1 GLN 6 20.930 -2.030 40.812 47 1HE2 GLN 6 1HE2 GLN 6 20.439 0.018 40.145 48 2HE2 GLN 6 2HE2 GLN 6 18.951 0.813 40.517 49 H ASP 7 HN ASP 7 18.729 -4.113 36.788 50 HA ASP 7 HA ASP 7 21.003 -5.583 35.898 51 1HB ASP 7 HB2 ASP 7 18.179 -5.591 34.806 52 2HB ASP 7 HB1 ASP 7 19.415 -6.800 34.477 53 H GLU 8 HN GLU 8 22.467 -4.522 34.684 54 HA GLU 8 HA GLU 8 21.801 -2.538 32.755 55 1HB GLU 8 HB2 GLU 8 24.040 -2.980 34.057 56 2HB GLU 8 HB1 GLU 8 24.403 -4.023 32.689 57 1HG GLU 8 HG2 GLU 8 23.710 -1.098 32.504 58 2HG GLU 8 HG1 GLU 8 25.341 -1.765 32.454 59 H MET 9 HN MET 9 20.946 -2.867 30.816 60 HA MET 9 HA MET 9 20.704 -5.442 29.644 61 1HB MET 9 HB2 MET 9 19.095 -3.529 29.343 62 2HB MET 9 HB1 MET 9 20.279 -2.779 28.282 63 1HG MET 9 HG2 MET 9 20.171 -4.850 26.867 64 2HG MET 9 HG1 MET 9 18.806 -5.363 27.858 65 1HE MET 9 HE1 MET 9 18.384 -5.585 25.256 66 2HE MET 9 HE3 MET 9 17.090 -4.560 24.635 67 3HE MET 9 HE2 MET 9 18.768 -4.204 24.229 68 HA PRO 10 HA PRO 10 24.817 -5.375 27.797 69 1HB PRO 10 HB2 PRO 10 24.664 -7.871 26.714 70 2HB PRO 10 HB1 PRO 10 25.039 -7.571 28.415 71 1HG PRO 10 HG2 PRO 10 22.439 -8.347 27.155 72 2HG PRO 10 HG1 PRO 10 23.178 -8.941 28.652 73 1HD PRO 10 HD2 PRO 10 21.196 -7.100 28.640 74 2HD PRO 10 HD1 PRO 10 22.474 -7.118 29.872 75 H SER 11 HN SER 11 21.905 -6.492 26.069 76 HA SER 11 HA SER 11 23.017 -6.090 23.471 77 1HB SER 11 HB2 SER 11 21.090 -7.651 24.091 78 2HB SER 11 HB1 SER 11 20.072 -6.211 24.120 79 HG SER 11 HG SER 11 20.267 -7.481 22.069 80 HA PRO 12 HA PRO 12 22.376 -1.706 23.174 81 1HB PRO 12 HB2 PRO 12 22.664 -1.412 20.505 82 2HB PRO 12 HB1 PRO 12 24.029 -1.779 21.567 83 1HG PRO 12 HG2 PRO 12 22.427 -3.624 19.837 84 2HG PRO 12 HG1 PRO 12 24.183 -3.551 20.068 85 1HD PRO 12 HD2 PRO 12 22.593 -5.362 21.330 86 2HD PRO 12 HD1 PRO 12 24.099 -4.740 22.033 87 H THR 13 HN THR 13 21.136 -0.185 21.484 88 HA THR 13 HA THR 13 18.368 -0.807 21.788 89 HB THR 13 HB THR 13 18.023 1.328 20.504 90 HG1 THR 13 HG1 THR 13 19.709 1.653 19.237 91 1HG2 THR 13 3HG2 THR 13 18.302 1.338 22.966 92 2HG2 THR 13 2HG2 THR 13 20.022 1.639 22.726 93 3HG2 THR 13 1HG2 THR 13 18.836 2.821 22.175 94 H PHE 14 HN PHE 14 16.823 -1.273 20.237 95 HA PHE 14 HA PHE 14 17.886 -2.376 17.729 96 1HB PHE 14 HB2 PHE 14 15.159 -2.902 18.920 97 2HB PHE 14 HB1 PHE 14 15.973 -3.811 17.653 98 HD1 PHE 14 HD1 PHE 14 18.261 -4.888 18.345 99 HD2 PHE 14 HD2 PHE 14 15.232 -3.686 21.083 100 HE1 PHE 14 HE1 PHE 14 19.192 -6.411 20.039 101 HE2 PHE 14 HE2 PHE 14 16.158 -5.207 22.780 102 HZ PHE 14 HZ PHE 14 18.140 -6.572 22.259 103 H LEU 15 HN LEU 15 14.884 -0.776 18.846 104 HA LEU 15 HA LEU 15 14.078 0.081 16.287 105 1HB LEU 15 HB2 LEU 15 12.718 -0.069 18.471 106 2HB LEU 15 HB1 LEU 15 13.368 1.519 18.830 107 HG LEU 15 HG LEU 15 12.404 2.181 16.509 108 1HD1 LEU 15 2HD1 LEU 15 11.881 -0.078 15.762 109 2HD1 LEU 15 1HD1 LEU 15 10.771 -0.280 17.118 110 3HD1 LEU 15 3HD1 LEU 15 10.422 0.908 15.863 111 1HD2 LEU 15 3HD2 LEU 15 10.607 1.597 18.862 112 2HD2 LEU 15 2HD2 LEU 15 11.585 3.047 18.632 113 3HD2 LEU 15 1HD2 LEU 15 10.243 2.706 17.539 114 H THR 16 HN THR 16 15.778 1.803 18.900 115 HA THR 16 HA THR 16 16.026 4.286 17.648 116 HB THR 16 HB THR 16 18.087 3.079 19.495 117 HG1 THR 16 HG1 THR 16 16.513 2.928 20.862 118 1HG2 THR 16 2HG2 THR 16 17.186 5.912 19.052 119 2HG2 THR 16 1HG2 THR 16 18.248 5.387 20.358 120 3HG2 THR 16 3HG2 THR 16 18.766 5.223 18.680 121 H GLN 17 HN GLN 17 18.005 1.374 17.366 122 HA GLN 17 HA GLN 17 20.180 2.489 15.985 123 1HB GLN 17 HB2 GLN 17 19.928 0.147 17.037 124 2HB GLN 17 HB1 GLN 17 19.188 -0.310 15.510 125 1HG GLN 17 HG2 GLN 17 21.896 0.969 15.637 126 2HG GLN 17 HG1 GLN 17 21.674 -0.769 15.815 127 1HE2 GLN 17 1HE2 GLN 17 20.132 -1.670 14.023 128 2HE2 GLN 17 2HE2 GLN 17 20.535 -1.177 12.417 129 H VAL 18 HN VAL 18 17.170 1.037 14.798 130 HA VAL 18 HA VAL 18 17.333 0.735 12.186 131 HB VAL 18 HB VAL 18 15.177 2.375 13.516 132 1HG1 VAL 18 2HG1 VAL 18 15.342 1.190 10.762 133 2HG1 VAL 18 1HG1 VAL 18 13.797 1.517 11.546 134 3HG1 VAL 18 3HG1 VAL 18 14.922 2.837 11.230 135 1HG2 VAL 18 1HG2 VAL 18 15.502 -0.565 12.968 136 2HG2 VAL 18 3HG2 VAL 18 15.259 0.237 14.520 137 3HG2 VAL 18 2HG2 VAL 18 13.944 0.169 13.348 138 H LYS 19 HN LYS 19 17.161 4.012 13.597 139 HA LYS 19 HA LYS 19 17.064 5.513 11.289 140 1HB LYS 19 HB2 LYS 19 18.273 6.031 13.983 141 2HB LYS 19 HB1 LYS 19 18.445 7.218 12.698 142 1HG LYS 19 HG2 LYS 19 16.495 8.045 13.357 143 2HG LYS 19 HG1 LYS 19 15.749 6.601 12.670 144 1HD LYS 19 HD2 LYS 19 16.651 5.768 15.154 145 2HD LYS 19 HD1 LYS 19 16.050 7.401 15.448 146 1HE LYS 19 HE2 LYS 19 14.183 6.040 15.780 147 2HE LYS 19 HE1 LYS 19 13.971 6.664 14.146 148 1HZ LYS 19 HZ2 LYS 19 15.118 4.005 14.801 149 2HZ LYS 19 HZ1 LYS 19 13.518 4.272 14.324 150 3HZ LYS 19 HZ3 LYS 19 14.787 4.602 13.254 151 H GLU 20 HN GLU 20 20.011 4.429 12.978 152 HA GLU 20 HA GLU 20 21.824 5.512 11.106 153 1HB GLU 20 HB2 GLU 20 22.218 3.146 12.946 154 2HB GLU 20 HB1 GLU 20 23.496 4.045 12.141 155 1HG GLU 20 HG2 GLU 20 23.617 5.150 14.078 156 2HG GLU 20 HG1 GLU 20 22.231 6.042 13.451 157 H SER 21 HN SER 21 20.027 2.537 11.216 158 HA SER 21 HA SER 21 21.470 1.056 9.299 159 1HB SER 21 HB2 SER 21 19.510 0.359 10.922 160 2HB SER 21 HB1 SER 21 18.498 0.764 9.536 161 HG SER 21 HG SER 21 19.276 -0.902 8.455 162 H LEU 22 HN LEU 22 18.950 3.493 9.011 163 HA LEU 22 HA LEU 22 18.436 3.100 6.239 164 1HB LEU 22 HB2 LEU 22 17.957 5.544 7.947 165 2HB LEU 22 HB1 LEU 22 17.266 5.250 6.363 166 HG LEU 22 HG LEU 22 16.746 3.247 8.507 167 1HD1 LEU 22 1HD1 LEU 22 16.402 5.596 9.440 168 2HD1 LEU 22 3HD1 LEU 22 15.074 5.727 8.289 169 3HD1 LEU 22 2HD1 LEU 22 15.042 4.477 9.533 170 1HD2 LEU 22 3HD2 LEU 22 15.970 2.869 6.217 171 2HD2 LEU 22 2HD2 LEU 22 14.620 3.052 7.337 172 3HD2 LEU 22 1HD2 LEU 22 15.070 4.385 6.273 173 H SER 23 HN SER 23 20.744 5.035 8.052 174 HA SER 23 HA SER 23 21.533 6.812 6.041 175 1HB SER 23 HB2 SER 23 23.229 5.630 8.256 176 2HB SER 23 HB1 SER 23 23.624 7.070 7.318 177 HG SER 23 HG SER 23 21.753 6.720 9.346 178 H SER 24 HN SER 24 22.923 3.657 6.934 179 HA SER 24 HA SER 24 24.840 3.581 4.864 180 1HB SER 24 HB2 SER 24 23.546 1.352 6.447 181 2HB SER 24 HB1 SER 24 24.902 1.118 5.344 182 HG SER 24 HG SER 24 24.822 2.342 7.844 183 H TYR 25 HN TYR 25 21.436 3.160 4.797 184 HA TYR 25 HA TYR 25 21.300 1.391 2.557 185 1HB TYR 25 HB2 TYR 25 19.484 1.857 4.329 186 2HB TYR 25 HB1 TYR 25 19.112 3.291 3.378 187 HD1 TYR 25 HD1 TYR 25 18.293 3.039 1.038 188 HD2 TYR 25 HD2 TYR 25 18.799 -0.310 3.615 189 HE1 TYR 25 HE1 TYR 25 16.869 1.691 -0.444 190 HE2 TYR 25 HE2 TYR 25 17.376 -1.667 2.139 191 HH TYR 25 HH TYR 25 16.783 -1.262 -0.729 192 H TRP 26 HN TRP 26 20.534 4.883 2.868 193 HA TRP 26 HA TRP 26 20.319 5.316 0.093 194 1HB TRP 26 HB2 TRP 26 20.182 7.638 0.577 195 2HB TRP 26 HB1 TRP 26 19.395 6.804 1.910 196 HD1 TRP 26 HD1 TRP 26 20.363 7.176 4.307 197 HE1 TRP 26 HE1 TRP 26 22.231 8.664 5.265 198 HE3 TRP 26 HE3 TRP 26 22.585 8.617 -0.068 199 HZ2 TRP 26 HZ2 TRP 26 24.363 10.241 4.297 200 HZ3 TRP 26 HZ3 TRP 26 24.530 10.117 0.036 201 HH2 TRP 26 HH2 TRP 26 25.400 10.912 2.174 202 H GLU 27 HN GLU 27 23.063 5.242 2.217 203 HA GLU 27 HA GLU 27 25.017 6.699 1.053 204 1HB GLU 27 HB2 GLU 27 24.920 4.420 2.751 205 2HB GLU 27 HB1 GLU 27 26.143 4.112 1.527 206 1HG GLU 27 HG2 GLU 27 27.477 5.192 2.966 207 2HG GLU 27 HG1 GLU 27 26.793 6.630 2.208 208 H SER 28 HN SER 28 24.352 3.324 0.119 209 HA SER 28 HA SER 28 25.686 3.790 -2.443 210 1HB SER 28 HB2 SER 28 24.824 1.258 -1.037 211 2HB SER 28 HB1 SER 28 25.483 1.282 -2.672 212 HG SER 28 HG SER 28 27.421 1.785 -1.906 213 H ALA 29 HN ALA 29 22.595 4.024 -1.236 214 HA ALA 29 HA ALA 29 21.017 2.681 -3.133 215 1HB ALA 29 HB2 ALA 29 20.144 3.632 -1.036 216 2HB ALA 29 HB1 ALA 29 20.341 5.249 -1.709 217 3HB ALA 29 HB3 ALA 29 19.204 4.120 -2.446 218 H LYS 30 HN LYS 30 22.805 5.672 -3.380 219 HA LYS 30 HA LYS 30 21.464 6.969 -5.423 220 1HB LYS 30 HB2 LYS 30 24.412 6.815 -4.812 221 2HB LYS 30 HB1 LYS 30 23.761 7.857 -6.069 222 1HG LYS 30 HG2 LYS 30 22.436 9.053 -4.420 223 2HG LYS 30 HG1 LYS 30 23.032 7.984 -3.150 224 1HD LYS 30 HD2 LYS 30 24.476 9.735 -2.884 225 2HD LYS 30 HD1 LYS 30 25.378 8.788 -4.069 226 1HE LYS 30 HE2 LYS 30 23.439 10.699 -5.189 227 2HE LYS 30 HE1 LYS 30 24.797 11.423 -4.330 228 1HZ LYS 30 HZ3 LYS 30 26.297 10.105 -5.741 229 2HZ LYS 30 HZ2 LYS 30 24.965 9.521 -6.605 230 3HZ LYS 30 HZ1 LYS 30 25.338 11.170 -6.642 231 H THR 31 HN THR 31 24.050 4.547 -5.777 232 HA THR 31 HA THR 31 24.231 4.415 -8.522 233 HB THR 31 HB THR 31 24.272 1.974 -6.738 234 HG1 THR 31 HG1 THR 31 26.298 3.918 -7.140 235 1HG2 THR 31 1HG2 THR 31 25.785 2.649 -9.248 236 2HG2 THR 31 3HG2 THR 31 26.074 1.234 -8.236 237 3HG2 THR 31 2HG2 THR 31 24.529 1.426 -9.064 238 H ALA 32 HN ALA 32 21.834 3.002 -6.373 239 HA ALA 32 HA ALA 32 20.483 1.414 -8.272 240 1HB ALA 32 HB1 ALA 32 18.987 2.704 -6.037 241 2HB ALA 32 HB3 ALA 32 18.893 1.053 -6.652 242 3HB ALA 32 HB2 ALA 32 20.265 1.548 -5.661 243 H ALA 33 HN ALA 33 20.056 4.801 -7.262 244 HA ALA 33 HA ALA 33 17.737 5.450 -8.601 245 1HB ALA 33 HB2 ALA 33 19.142 6.934 -7.091 246 2HB ALA 33 HB1 ALA 33 20.097 7.307 -8.526 247 3HB ALA 33 HB3 ALA 33 18.382 7.713 -8.479 248 H GLN 34 HN GLN 34 21.031 5.760 -9.932 249 HA GLN 34 HA GLN 34 20.159 6.390 -12.546 250 1HB GLN 34 HB2 GLN 34 22.530 6.604 -11.414 251 2HB GLN 34 HB1 GLN 34 22.762 4.986 -12.063 252 1HG GLN 34 HG2 GLN 34 21.737 7.050 -13.920 253 2HG GLN 34 HG1 GLN 34 23.415 7.190 -13.399 254 1HE2 GLN 34 1HE2 GLN 34 24.843 5.413 -13.825 255 2HE2 GLN 34 2HE2 GLN 34 24.531 4.348 -15.149 256 H ASN 35 HN ASN 35 20.847 3.379 -10.873 257 HA ASN 35 HA ASN 35 20.771 1.662 -13.106 258 1HB ASN 35 HB2 ASN 35 21.257 1.313 -10.435 259 2HB ASN 35 HB1 ASN 35 19.686 0.540 -10.612 260 1HD2 ASN 35 1HD2 ASN 35 19.514 -1.034 -12.435 261 2HD2 ASN 35 2HD2 ASN 35 20.882 -2.043 -12.742 262 H LEU 36 HN LEU 36 18.254 3.187 -11.272 263 HA LEU 36 HA LEU 36 16.064 1.583 -11.932 264 1HB LEU 36 HB2 LEU 36 16.237 3.676 -10.370 265 2HB LEU 36 HB1 LEU 36 15.847 4.576 -11.823 266 HG LEU 36 HG LEU 36 14.068 2.302 -11.124 267 1HD1 LEU 36 3HD1 LEU 36 14.420 3.368 -8.957 268 2HD1 LEU 36 2HD1 LEU 36 14.009 4.934 -9.656 269 3HD1 LEU 36 1HD1 LEU 36 12.789 3.665 -9.560 270 1HD2 LEU 36 2HD2 LEU 36 13.620 5.085 -12.196 271 2HD2 LEU 36 1HD2 LEU 36 13.670 3.594 -13.137 272 3HD2 LEU 36 3HD2 LEU 36 12.369 3.861 -11.977 273 H TYR 37 HN TYR 37 17.599 4.306 -13.533 274 HA TYR 37 HA TYR 37 15.923 4.394 -15.812 275 1HB TYR 37 HB2 TYR 37 17.721 6.102 -14.945 276 2HB TYR 37 HB1 TYR 37 18.822 5.156 -15.942 277 HD1 TYR 37 HD1 TYR 37 15.886 7.373 -15.977 278 HD2 TYR 37 HD2 TYR 37 18.726 5.266 -18.344 279 HE1 TYR 37 HE1 TYR 37 15.171 8.646 -17.955 280 HE2 TYR 37 HE2 TYR 37 18.021 6.534 -20.329 281 HH TYR 37 HH TYR 37 16.683 9.174 -20.450 282 H GLU 38 HN GLU 38 18.863 2.644 -14.991 283 HA GLU 38 HA GLU 38 19.495 1.574 -17.493 284 1HB GLU 38 HB2 GLU 38 20.039 0.671 -14.688 285 2HB GLU 38 HB1 GLU 38 20.501 -0.346 -16.044 286 1HG GLU 38 HG2 GLU 38 22.080 1.155 -16.805 287 2HG GLU 38 HG1 GLU 38 21.333 2.520 -15.978 288 H LYS 39 HN LYS 39 17.698 -0.005 -14.871 289 HA LYS 39 HA LYS 39 16.964 -2.287 -16.321 290 1HB LYS 39 HB2 LYS 39 16.592 -1.300 -13.713 291 2HB LYS 39 HB1 LYS 39 14.981 -1.626 -14.338 292 1HG LYS 39 HG2 LYS 39 15.644 -3.604 -13.284 293 2HG LYS 39 HG1 LYS 39 15.866 -3.910 -15.007 294 1HD LYS 39 HD2 LYS 39 18.146 -3.938 -14.850 295 2HD LYS 39 HD1 LYS 39 18.174 -2.820 -13.485 296 1HE LYS 39 HE2 LYS 39 18.849 -4.898 -12.607 297 2HE LYS 39 HE1 LYS 39 17.170 -4.700 -12.109 298 1HZ LYS 39 HZ3 LYS 39 17.988 -6.246 -14.507 299 2HZ LYS 39 HZ2 LYS 39 17.756 -6.945 -12.984 300 3HZ LYS 39 HZ1 LYS 39 16.461 -6.205 -13.779 301 H THR 40 HN THR 40 15.845 0.903 -16.716 302 HA THR 40 HA THR 40 13.130 0.438 -17.335 303 HB THR 40 HB THR 40 14.936 2.556 -18.517 304 HG1 THR 40 HG1 THR 40 13.424 2.555 -16.118 305 1HG2 THR 40 1HG2 THR 40 11.950 2.470 -18.175 306 2HG2 THR 40 3HG2 THR 40 12.872 3.908 -18.615 307 3HG2 THR 40 2HG2 THR 40 12.852 2.511 -19.692 308 H TYR 41 HN TYR 41 15.876 0.901 -19.526 309 HA TYR 41 HA TYR 41 14.512 0.032 -21.851 310 1HB TYR 41 HB2 TYR 41 17.490 0.124 -21.323 311 2HB TYR 41 HB1 TYR 41 16.732 -0.024 -22.905 312 HD1 TYR 41 HD1 TYR 41 15.024 1.905 -23.493 313 HD2 TYR 41 HD2 TYR 41 18.116 2.222 -20.589 314 HE1 TYR 41 HE1 TYR 41 14.944 4.355 -23.684 315 HE2 TYR 41 HE2 TYR 41 18.045 4.672 -20.771 316 HH TYR 41 HH TYR 41 15.748 6.378 -21.780 317 H LEU 42 HN LEU 42 16.572 -1.645 -19.517 318 HA LEU 42 HA LEU 42 16.895 -4.055 -20.920 319 1HB LEU 42 HB2 LEU 42 16.895 -3.491 -17.958 320 2HB LEU 42 HB1 LEU 42 17.355 -5.032 -18.656 321 HG LEU 42 HG LEU 42 18.755 -2.506 -19.474 322 1HD1 LEU 42 1HD1 LEU 42 18.842 -2.599 -17.031 323 2HD1 LEU 42 3HD1 LEU 42 19.464 -4.248 -17.118 324 3HD1 LEU 42 2HD1 LEU 42 20.422 -2.909 -17.751 325 1HD2 LEU 42 1HD2 LEU 42 19.098 -4.531 -20.812 326 2HD2 LEU 42 3HD2 LEU 42 20.572 -4.043 -19.977 327 3HD2 LEU 42 2HD2 LEU 42 19.618 -5.395 -19.364 328 HA PRO 43 HA PRO 43 12.873 -5.889 -20.331 329 1HB PRO 43 HB2 PRO 43 13.300 -8.155 -21.666 330 2HB PRO 43 HB1 PRO 43 13.307 -6.596 -22.500 331 1HG PRO 43 HG2 PRO 43 15.594 -8.326 -21.698 332 2HG PRO 43 HG1 PRO 43 15.407 -7.304 -23.131 333 1HD PRO 43 HD2 PRO 43 16.806 -6.649 -20.774 334 2HD PRO 43 HD1 PRO 43 16.361 -5.536 -22.082 335 H ALA 44 HN ALA 44 15.210 -6.399 -18.302 336 HA ALA 44 HA ALA 44 15.044 -9.083 -17.451 337 1HB ALA 44 HB2 ALA 44 15.857 -6.605 -15.943 338 2HB ALA 44 HB1 ALA 44 16.084 -8.256 -15.366 339 3HB ALA 44 HB3 ALA 44 16.915 -7.709 -16.823 340 H VAL 45 HN VAL 45 12.824 -6.508 -17.106 341 HA VAL 45 HA VAL 45 11.628 -6.704 -14.700 342 HB VAL 45 HB VAL 45 10.138 -6.575 -17.327 343 1HG1 VAL 45 2HG1 VAL 45 9.316 -5.926 -14.507 344 2HG1 VAL 45 1HG1 VAL 45 8.468 -5.297 -15.920 345 3HG1 VAL 45 3HG1 VAL 45 8.546 -7.037 -15.642 346 1HG2 VAL 45 2HG2 VAL 45 11.505 -4.497 -15.650 347 2HG2 VAL 45 1HG2 VAL 45 11.636 -4.787 -17.385 348 3HG2 VAL 45 3HG2 VAL 45 10.167 -4.074 -16.719 349 H ASP 46 HN ASP 46 10.657 -8.768 -17.459 350 HA ASP 46 HA ASP 46 9.023 -10.444 -15.830 351 1HB ASP 46 HB2 ASP 46 8.765 -10.008 -18.328 352 2HB ASP 46 HB1 ASP 46 10.086 -11.150 -18.561 353 H GLU 47 HN GLU 47 12.367 -10.596 -16.909 354 HA GLU 47 HA GLU 47 12.785 -13.344 -16.318 355 1HB GLU 47 HB2 GLU 47 14.258 -11.947 -17.778 356 2HB GLU 47 HB1 GLU 47 14.842 -11.128 -16.336 357 1HG GLU 47 HG2 GLU 47 15.065 -13.979 -16.037 358 2HG GLU 47 HG1 GLU 47 15.861 -13.441 -17.514 359 H LYS 48 HN LYS 48 13.757 -10.427 -14.497 360 HA LYS 48 HA LYS 48 14.746 -11.699 -12.235 361 1HB LYS 48 HB2 LYS 48 13.454 -9.000 -12.595 362 2HB LYS 48 HB1 LYS 48 14.123 -9.521 -11.054 363 1HG LYS 48 HG2 LYS 48 15.875 -9.744 -13.432 364 2HG LYS 48 HG1 LYS 48 15.518 -8.124 -12.832 365 1HD LYS 48 HD2 LYS 48 17.064 -8.397 -11.257 366 2HD LYS 48 HD1 LYS 48 16.109 -9.717 -10.578 367 1HE LYS 48 HE2 LYS 48 17.925 -10.190 -12.913 368 2HE LYS 48 HE1 LYS 48 18.569 -10.152 -11.273 369 1HZ LYS 48 HZ1 LYS 48 16.651 -11.831 -10.832 370 2HZ LYS 48 HZ3 LYS 48 16.735 -12.089 -12.503 371 3HZ LYS 48 HZ2 LYS 48 18.094 -12.363 -11.535 372 H LEU 49 HN LEU 49 11.438 -11.166 -13.195 373 HA LEU 49 HA LEU 49 10.194 -11.456 -10.684 374 1HB LEU 49 HB2 LEU 49 9.327 -11.719 -13.525 375 2HB LEU 49 HB1 LEU 49 8.287 -12.399 -12.287 376 HG LEU 49 HG LEU 49 9.217 -9.540 -12.168 377 1HD1 LEU 49 3HD1 LEU 49 6.803 -10.659 -13.582 378 2HD1 LEU 49 2HD1 LEU 49 7.012 -8.958 -13.164 379 3HD1 LEU 49 1HD1 LEU 49 8.127 -9.732 -14.289 380 1HD2 LEU 49 3HD2 LEU 49 6.872 -11.010 -10.968 381 2HD2 LEU 49 2HD2 LEU 49 8.317 -10.469 -10.113 382 3HD2 LEU 49 1HD2 LEU 49 7.199 -9.285 -10.792 383 H ARG 50 HN ARG 50 10.331 -13.849 -13.329 384 HA ARG 50 HA ARG 50 9.674 -16.046 -11.685 385 1HB ARG 50 HB2 ARG 50 10.556 -17.430 -13.598 386 2HB ARG 50 HB1 ARG 50 9.309 -16.271 -14.030 387 1HG ARG 50 HG2 ARG 50 10.747 -15.885 -15.733 388 2HG ARG 50 HG1 ARG 50 11.429 -14.761 -14.559 389 1HD ARG 50 HD2 ARG 50 13.289 -15.911 -15.354 390 2HD ARG 50 HD1 ARG 50 12.913 -16.733 -13.842 391 HE ARG 50 HE ARG 50 11.677 -17.938 -16.138 392 1HH1 ARG 50 1HH1 ARG 50 14.593 -17.816 -14.202 393 2HH1 ARG 50 2HH1 ARG 50 15.116 -19.399 -14.672 394 1HH2 ARG 50 1HH2 ARG 50 12.371 -20.020 -16.752 395 2HH2 ARG 50 2HH2 ARG 50 13.856 -20.649 -16.119 396 H ASP 51 HN ASP 51 12.715 -14.507 -12.506 397 HA ASP 51 HA ASP 51 14.521 -16.501 -11.780 398 1HB ASP 51 HB2 ASP 51 14.611 -13.571 -12.077 399 2HB ASP 51 HB1 ASP 51 15.823 -14.233 -10.987 400 H LEU 52 HN LEU 52 13.458 -13.777 -9.724 401 HA LEU 52 HA LEU 52 14.574 -14.891 -7.360 402 1HB LEU 52 HB2 LEU 52 13.545 -13.078 -6.189 403 2HB LEU 52 HB1 LEU 52 14.184 -12.470 -7.704 404 HG LEU 52 HG LEU 52 11.681 -12.917 -8.507 405 1HD1 LEU 52 3HD1 LEU 52 11.549 -12.757 -5.532 406 2HD1 LEU 52 2HD1 LEU 52 10.269 -12.024 -6.500 407 3HD1 LEU 52 1HD1 LEU 52 10.612 -13.748 -6.649 408 1HD2 LEU 52 2HD2 LEU 52 13.047 -10.774 -8.423 409 2HD2 LEU 52 1HD2 LEU 52 11.296 -10.606 -8.302 410 3HD2 LEU 52 3HD2 LEU 52 12.296 -10.484 -6.855 411 H TYR 53 HN TYR 53 11.597 -15.448 -9.011 412 HA TYR 53 HA TYR 53 10.007 -16.223 -6.798 413 1HB TYR 53 HB2 TYR 53 9.174 -15.666 -9.123 414 2HB TYR 53 HB1 TYR 53 9.746 -17.251 -9.628 415 HD1 TYR 53 HD1 TYR 53 7.212 -15.434 -7.719 416 HD2 TYR 53 HD2 TYR 53 8.616 -19.279 -8.876 417 HE1 TYR 53 HE1 TYR 53 5.082 -16.424 -6.992 418 HE2 TYR 53 HE2 TYR 53 6.491 -20.280 -8.153 419 HH TYR 53 HH TYR 53 4.527 -19.216 -6.196 420 H SER 54 HN SER 54 11.747 -18.198 -9.218 421 HA SER 54 HA SER 54 11.305 -20.674 -7.971 422 1HB SER 54 HB2 SER 54 12.152 -20.219 -10.347 423 2HB SER 54 HB1 SER 54 13.749 -20.037 -9.622 424 HG SER 54 HG SER 54 12.181 -22.316 -9.944 425 H LYS 55 HN LYS 55 14.007 -18.383 -7.698 426 HA LYS 55 HA LYS 55 15.644 -19.938 -6.024 427 1HB LYS 55 HB2 LYS 55 15.413 -16.942 -6.341 428 2HB LYS 55 HB1 LYS 55 16.657 -17.722 -5.376 429 1HG LYS 55 HG2 LYS 55 16.291 -18.463 -8.248 430 2HG LYS 55 HG1 LYS 55 17.190 -17.013 -7.800 431 1HD LYS 55 HD2 LYS 55 18.756 -18.305 -6.523 432 2HD LYS 55 HD1 LYS 55 17.791 -19.767 -6.730 433 1HE LYS 55 HE2 LYS 55 18.204 -19.693 -9.143 434 2HE LYS 55 HE1 LYS 55 19.168 -18.232 -8.933 435 1HZ LYS 55 HZ1 LYS 55 19.792 -20.895 -7.770 436 2HZ LYS 55 HZ3 LYS 55 20.562 -20.197 -9.106 437 3HZ LYS 55 HZ2 LYS 55 20.719 -19.494 -7.575 438 H SER 56 HN SER 56 13.273 -17.400 -5.212 439 HA SER 56 HA SER 56 13.591 -17.536 -2.425 440 1HB SER 56 HB2 SER 56 12.465 -15.690 -3.697 441 2HB SER 56 HB1 SER 56 11.065 -16.746 -3.882 442 HG SER 56 HG SER 56 10.561 -16.447 -1.845 443 H THR 57 HN THR 57 11.979 -19.766 -4.533 444 HA THR 57 HA THR 57 9.955 -20.734 -2.877 445 HB THR 57 HB THR 57 11.628 -22.370 -4.795 446 HG1 THR 57 HG1 THR 57 9.378 -20.713 -5.274 447 1HG2 THR 57 1HG2 THR 57 8.806 -22.718 -3.819 448 2HG2 THR 57 3HG2 THR 57 9.520 -23.605 -5.165 449 3HG2 THR 57 2HG2 THR 57 10.175 -23.794 -3.538 450 H ALA 58 HN ALA 58 13.383 -21.662 -3.061 451 HA ALA 58 HA ALA 58 13.294 -23.802 -1.247 452 1HB ALA 58 HB1 ALA 58 15.727 -23.443 -1.002 453 2HB ALA 58 HB3 ALA 58 15.203 -23.465 -2.685 454 3HB ALA 58 HB2 ALA 58 15.569 -21.931 -1.896 455 H ALA 59 HN ALA 59 14.262 -20.409 -0.665 456 HA ALA 59 HA ALA 59 14.561 -20.655 2.122 457 1HB ALA 59 HB1 ALA 59 14.566 -18.231 2.174 458 2HB ALA 59 HB2 ALA 59 13.885 -18.171 0.549 459 3HB ALA 59 HB3 ALA 59 15.510 -18.811 0.802 460 H MET 60 HN MET 60 11.754 -19.915 0.123 461 HA MET 60 HA MET 60 10.034 -18.981 2.130 462 1HB MET 60 HB2 MET 60 9.738 -19.997 -0.624 463 2HB MET 60 HB1 MET 60 8.308 -20.142 0.388 464 1HG MET 60 HG2 MET 60 9.761 -17.544 0.283 465 2HG MET 60 HG1 MET 60 8.712 -18.008 -1.054 466 1HE MET 60 HE1 MET 60 9.214 -16.889 2.401 467 2HE MET 60 HE3 MET 60 7.620 -16.517 3.057 468 3HE MET 60 HE2 MET 60 8.230 -18.170 3.111 469 H SER 61 HN SER 61 11.056 -22.232 1.390 470 HA SER 61 HA SER 61 8.863 -23.600 2.542 471 1HB SER 61 HB2 SER 61 10.142 -25.567 2.333 472 2HB SER 61 HB1 SER 61 10.707 -24.543 1.014 473 HG SER 61 HG SER 61 12.549 -24.105 2.139 474 H THR 62 HN THR 62 11.469 -21.877 3.956 475 HA THR 62 HA THR 62 10.993 -23.137 6.568 476 HB THR 62 HB THR 62 13.110 -22.017 7.265 477 HG1 THR 62 HG1 THR 62 13.595 -20.406 5.985 478 1HG2 THR 62 2HG2 THR 62 13.171 -24.330 6.422 479 2HG2 THR 62 1HG2 THR 62 13.486 -23.703 4.803 480 3HG2 THR 62 3HG2 THR 62 14.653 -23.432 6.099 481 H TYR 63 HN TYR 63 11.349 -19.950 5.018 482 HA TYR 63 HA TYR 63 10.632 -18.422 7.255 483 1HB TYR 63 HB2 TYR 63 10.619 -17.830 4.299 484 2HB TYR 63 HB1 TYR 63 10.165 -16.631 5.506 485 HD1 TYR 63 HD1 TYR 63 12.759 -17.609 3.492 486 HD2 TYR 63 HD2 TYR 63 12.003 -16.602 7.557 487 HE1 TYR 63 HE1 TYR 63 15.126 -17.014 3.779 488 HE2 TYR 63 HE2 TYR 63 14.368 -16.003 7.854 489 HH TYR 63 HH TYR 63 16.339 -15.207 5.805 490 H THR 64 HN THR 64 8.717 -20.316 5.088 491 HA THR 64 HA THR 64 6.318 -18.806 5.370 492 HB THR 64 HB THR 64 6.940 -21.580 4.420 493 HG1 THR 64 HG1 THR 64 7.050 -20.187 2.793 494 1HG2 THR 64 3HG2 THR 64 4.192 -20.555 5.050 495 2HG2 THR 64 2HG2 THR 64 4.492 -21.801 3.838 496 3HG2 THR 64 1HG2 THR 64 4.930 -22.085 5.522 497 H GLY 65 HN GLY 65 7.369 -21.856 6.872 498 1HA GLY 65 HA1 GLY 65 6.771 -22.815 8.878 499 2HA GLY 65 HA2 GLY 65 5.280 -21.880 8.799 500 H ILE 66 HN ILE 66 8.552 -20.578 8.735 501 HA ILE 66 HA ILE 66 8.770 -19.911 11.472 502 HB ILE 66 HB ILE 66 10.153 -18.839 9.018 503 1HG1 ILE 66 2HG1 ILE 66 11.351 -20.321 11.352 504 2HG1 ILE 66 1HG1 ILE 66 10.591 -21.176 10.014 505 1HG2 ILE 66 2HG2 ILE 66 10.419 -17.934 11.867 506 2HG2 ILE 66 1HG2 ILE 66 11.750 -17.785 10.720 507 3HG2 ILE 66 3HG2 ILE 66 10.223 -16.959 10.410 508 1HD1 ILE 66 3HD1 ILE 66 12.221 -19.663 8.592 509 2HD1 ILE 66 2HD1 ILE 66 13.134 -19.659 10.101 510 3HD1 ILE 66 1HD1 ILE 66 12.746 -21.187 9.308 511 H PHE 67 HN PHE 67 8.072 -17.802 8.668 512 HA PHE 67 HA PHE 67 7.489 -15.468 10.036 513 1HB PHE 67 HB2 PHE 67 6.381 -16.546 7.449 514 2HB PHE 67 HB1 PHE 67 5.919 -14.967 8.067 515 HD1 PHE 67 HD1 PHE 67 7.004 -14.925 5.497 516 HD2 PHE 67 HD2 PHE 67 9.110 -15.152 9.191 517 HE1 PHE 67 HE1 PHE 67 8.986 -13.937 4.427 518 HE2 PHE 67 HE2 PHE 67 11.091 -14.162 8.126 519 HZ PHE 67 HZ PHE 67 11.032 -13.553 5.740 520 H THR 68 HN THR 68 5.121 -17.922 8.985 521 HA THR 68 HA THR 68 2.925 -16.749 10.300 522 HB THR 68 HB THR 68 1.788 -18.911 9.934 523 HG1 THR 68 HG1 THR 68 3.190 -20.501 10.127 524 1HG2 THR 68 3HG2 THR 68 3.416 -18.011 7.571 525 2HG2 THR 68 2HG2 THR 68 2.001 -19.061 7.502 526 3HG2 THR 68 1HG2 THR 68 1.837 -17.394 8.056 527 H ASP 69 HN ASP 69 5.534 -18.589 11.525 528 HA ASP 69 HA ASP 69 4.353 -19.920 13.681 529 1HB ASP 69 HB2 ASP 69 6.825 -19.941 12.812 530 2HB ASP 69 HB1 ASP 69 7.054 -18.647 13.984 531 H GLN 70 HN GLN 70 5.977 -16.735 13.750 532 HA GLN 70 HA GLN 70 5.058 -16.114 16.368 533 1HB GLN 70 HB2 GLN 70 6.144 -14.281 14.224 534 2HB GLN 70 HB1 GLN 70 5.927 -13.851 15.915 535 1HG GLN 70 HG2 GLN 70 7.822 -15.898 14.788 536 2HG GLN 70 HG1 GLN 70 8.233 -14.352 15.529 537 1HE2 GLN 70 1HE2 GLN 70 7.425 -17.649 16.064 538 2HE2 GLN 70 2HE2 GLN 70 7.594 -17.640 17.783 539 H VAL 71 HN VAL 71 3.655 -15.764 13.230 540 HA VAL 71 HA VAL 71 1.822 -13.672 13.820 541 HB VAL 71 HB VAL 71 1.660 -15.864 11.735 542 1HG1 VAL 71 1HG1 VAL 71 -0.039 -13.424 12.184 543 2HG1 VAL 71 3HG1 VAL 71 0.056 -14.243 10.625 544 3HG1 VAL 71 2HG1 VAL 71 -0.552 -15.104 12.038 545 1HG2 VAL 71 1HG2 VAL 71 3.538 -14.028 11.751 546 2HG2 VAL 71 3HG2 VAL 71 2.720 -14.468 10.252 547 3HG2 VAL 71 2HG2 VAL 71 2.247 -13.007 11.119 548 H LEU 72 HN LEU 72 1.459 -17.189 13.569 549 HA LEU 72 HA LEU 72 -1.149 -17.390 14.561 550 1HB LEU 72 HB2 LEU 72 1.143 -19.231 14.200 551 2HB LEU 72 HB1 LEU 72 -0.051 -19.727 15.383 552 HG LEU 72 HG LEU 72 -0.525 -20.736 13.228 553 1HD1 LEU 72 2HD1 LEU 72 -2.380 -20.000 14.754 554 2HD1 LEU 72 1HD1 LEU 72 -2.568 -18.584 13.721 555 3HD1 LEU 72 3HD1 LEU 72 -2.827 -20.198 13.059 556 1HD2 LEU 72 3HD2 LEU 72 -0.668 -17.900 12.213 557 2HD2 LEU 72 2HD2 LEU 72 0.506 -19.134 11.752 558 3HD2 LEU 72 1HD2 LEU 72 -1.192 -19.322 11.312 559 H SER 73 HN SER 73 1.987 -17.192 16.151 560 HA SER 73 HA SER 73 1.182 -17.860 18.749 561 1HB SER 73 HB2 SER 73 3.292 -17.270 19.390 562 2HB SER 73 HB1 SER 73 3.573 -17.245 17.651 563 HG SER 73 HG SER 73 4.267 -15.298 18.231 564 H VAL 74 HN VAL 74 0.989 -14.823 16.999 565 HA VAL 74 HA VAL 74 0.148 -13.264 19.243 566 HB VAL 74 HB VAL 74 -0.283 -12.698 16.302 567 1HG1 VAL 74 2HG1 VAL 74 -0.579 -11.044 18.782 568 2HG1 VAL 74 1HG1 VAL 74 -0.205 -10.289 17.232 569 3HG1 VAL 74 3HG1 VAL 74 -1.688 -11.225 17.422 570 1HG2 VAL 74 3HG2 VAL 74 2.127 -12.790 17.816 571 2HG2 VAL 74 2HG2 VAL 74 1.899 -12.317 16.133 572 3HG2 VAL 74 1HG2 VAL 74 1.785 -11.109 17.411 573 H LEU 75 HN LEU 75 -1.427 -15.543 17.211 574 HA LEU 75 HA LEU 75 -4.071 -14.542 17.291 575 1HB LEU 75 HB2 LEU 75 -2.983 -16.508 15.911 576 2HB LEU 75 HB1 LEU 75 -3.523 -17.477 17.268 577 HG LEU 75 HG LEU 75 -5.838 -16.375 16.822 578 1HD1 LEU 75 1HD1 LEU 75 -4.480 -15.979 14.160 579 2HD1 LEU 75 3HD1 LEU 75 -6.210 -15.818 14.466 580 3HD1 LEU 75 2HD1 LEU 75 -5.072 -14.708 15.230 581 1HD2 LEU 75 2HD2 LEU 75 -5.336 -18.749 16.529 582 2HD2 LEU 75 1HD2 LEU 75 -6.392 -18.154 15.248 583 3HD2 LEU 75 3HD2 LEU 75 -4.679 -18.415 14.927 584 H LYS 76 HN LYS 76 -2.185 -16.558 19.422 585 HA LYS 76 HA LYS 76 -4.313 -17.247 21.193 586 1HB LYS 76 HB2 LYS 76 -1.310 -17.310 21.521 587 2HB LYS 76 HB1 LYS 76 -2.428 -17.895 22.745 588 1HG LYS 76 HG2 LYS 76 -2.492 -18.945 19.938 589 2HG LYS 76 HG1 LYS 76 -1.387 -19.598 21.151 590 1HD LYS 76 HD2 LYS 76 -3.541 -19.794 22.607 591 2HD LYS 76 HD1 LYS 76 -4.376 -19.697 21.055 592 1HE LYS 76 HE2 LYS 76 -2.129 -21.634 21.474 593 2HE LYS 76 HE1 LYS 76 -3.763 -22.022 22.009 594 1HZ LYS 76 HZ3 LYS 76 -4.541 -21.683 19.740 595 2HZ LYS 76 HZ2 LYS 76 -2.966 -21.331 19.231 596 3HZ LYS 76 HZ1 LYS 76 -3.345 -22.878 19.798 597 H GLY 77 HN GLY 77 -1.742 -14.785 21.275 598 1HA GLY 77 HA1 GLY 77 -1.369 -13.127 22.889 599 2HA GLY 77 HA2 GLY 77 -2.815 -13.653 23.738 600 H GLU 78 HN GLU 78 -4.827 -13.417 22.052 601 HA GLU 78 HA GLU 78 -5.319 -10.653 21.896 602 1HB GLU 78 HB2 GLU 78 -3.801 -11.489 19.751 603 2HB GLU 78 HB1 GLU 78 -5.436 -11.572 19.115 604 1HG GLU 78 HG2 GLU 78 -4.453 -9.129 20.535 605 2HG GLU 78 HG1 GLU 78 -4.104 -9.399 18.829 606 H GLU 79 HN GLU 79 -6.142 -13.658 20.144 607 HA GLU 79 HA GLU 79 -8.987 -13.073 20.623 608 1HB GLU 79 HB2 GLU 79 -7.517 -14.431 18.421 609 2HB GLU 79 HB1 GLU 79 -9.113 -15.050 18.824 610 1HG GLU 79 HG2 GLU 79 -9.185 -13.411 17.015 611 2HG GLU 79 HG1 GLU 79 -10.095 -12.879 18.427 No H/Q in entry = 611 Start of MODEL 29 1 H1 THR 1 HT1 THR 1 25.615 -18.497 10.920 2 H2 THR 1 HT3 THR 1 25.950 -19.979 10.126 3 H3 THR 1 HT2 THR 1 26.106 -19.865 11.831 4 HA THR 1 HA THR 1 28.239 -19.827 10.936 5 HB THR 1 HB THR 1 27.652 -19.263 8.649 6 HG1 THR 1 HG1 THR 1 29.727 -18.775 8.909 7 1HG2 THR 1 3HG2 THR 1 27.049 -16.497 9.667 8 2HG2 THR 1 2HG2 THR 1 27.213 -16.940 7.967 9 3HG2 THR 1 1HG2 THR 1 25.913 -17.631 8.938 10 H GLN 2 HN GLN 2 29.738 -18.816 12.163 11 HA GLN 2 HA GLN 2 28.822 -16.625 13.852 12 1HB GLN 2 HB2 GLN 2 30.302 -18.857 14.398 13 2HB GLN 2 HB1 GLN 2 31.561 -17.639 14.236 14 1HG GLN 2 HG2 GLN 2 29.164 -17.227 15.993 15 2HG GLN 2 HG1 GLN 2 30.614 -18.054 16.557 16 1HE2 GLN 2 1HE2 GLN 2 29.088 -15.131 16.385 17 2HE2 GLN 2 2HE2 GLN 2 30.447 -14.089 16.612 18 H GLN 3 HN GLN 3 29.441 -14.572 13.638 19 HA GLN 3 HA GLN 3 31.479 -13.940 11.616 20 1HB GLN 3 HB2 GLN 3 28.987 -12.614 12.539 21 2HB GLN 3 HB1 GLN 3 30.315 -11.559 12.078 22 1HG GLN 3 HG2 GLN 3 28.818 -11.930 10.213 23 2HG GLN 3 HG1 GLN 3 30.407 -12.620 9.884 24 1HE2 GLN 3 1HE2 GLN 3 30.599 -14.779 9.527 25 2HE2 GLN 3 2HE2 GLN 3 29.264 -15.873 9.492 26 HA PRO 4 HA PRO 4 34.502 -12.069 14.225 27 1HB PRO 4 HB2 PRO 4 33.695 -9.389 13.171 28 2HB PRO 4 HB1 PRO 4 35.306 -10.102 13.315 29 1HG PRO 4 HG2 PRO 4 34.083 -10.000 10.957 30 2HG PRO 4 HG1 PRO 4 35.036 -11.420 11.424 31 1HD PRO 4 HD2 PRO 4 32.081 -11.080 11.290 32 2HD PRO 4 HD1 PRO 4 33.067 -12.524 10.990 33 H GLN 5 HN GLN 5 31.557 -10.049 14.058 34 HA GLN 5 HA GLN 5 31.872 -9.024 16.707 35 1HB GLN 5 HB2 GLN 5 30.439 -8.203 14.572 36 2HB GLN 5 HB1 GLN 5 29.175 -9.028 15.472 37 1HG GLN 5 HG2 GLN 5 30.945 -6.919 16.676 38 2HG GLN 5 HG1 GLN 5 29.401 -6.568 15.903 39 1HE2 GLN 5 1HE2 GLN 5 30.984 -7.799 18.699 40 2HE2 GLN 5 2HE2 GLN 5 29.568 -8.051 19.657 41 H GLN 6 HN GLN 6 31.681 -10.260 18.456 42 HA GLN 6 HA GLN 6 30.333 -12.753 18.499 43 1HB GLN 6 HB2 GLN 6 31.330 -11.034 20.778 44 2HB GLN 6 HB1 GLN 6 30.776 -12.693 20.945 45 1HG GLN 6 HG2 GLN 6 33.204 -11.694 19.487 46 2HG GLN 6 HG1 GLN 6 33.137 -12.748 20.899 47 1HE2 GLN 6 1HE2 GLN 6 33.109 -12.566 17.490 48 2HE2 GLN 6 2HE2 GLN 6 32.940 -14.254 17.170 49 H ASP 7 HN ASP 7 28.764 -13.138 20.513 50 HA ASP 7 HA ASP 7 26.345 -11.787 19.853 51 1HB ASP 7 HB2 ASP 7 26.394 -14.150 20.566 52 2HB ASP 7 HB1 ASP 7 26.929 -13.649 22.167 53 H GLU 8 HN GLU 8 25.513 -9.980 20.678 54 HA GLU 8 HA GLU 8 26.914 -8.460 22.636 55 1HB GLU 8 HB2 GLU 8 25.396 -7.654 20.684 56 2HB GLU 8 HB1 GLU 8 24.075 -7.905 21.818 57 1HG GLU 8 HG2 GLU 8 25.204 -6.367 23.398 58 2HG GLU 8 HG1 GLU 8 26.422 -6.051 22.162 59 H MET 9 HN MET 9 26.644 -8.326 24.788 60 HA MET 9 HA MET 9 25.043 -10.246 26.143 61 1HB MET 9 HB2 MET 9 26.958 -8.135 26.902 62 2HB MET 9 HB1 MET 9 25.725 -8.481 28.107 63 1HG MET 9 HG2 MET 9 26.935 -10.196 28.786 64 2HG MET 9 HG1 MET 9 26.654 -10.971 27.229 65 1HE MET 9 HE2 MET 9 28.072 -11.169 25.422 66 2HE MET 9 HE1 MET 9 28.590 -9.535 25.008 67 3HE MET 9 HE3 MET 9 29.791 -10.785 25.332 68 HA PRO 10 HA PRO 10 22.226 -6.582 27.442 69 1HB PRO 10 HB2 PRO 10 22.682 -4.111 26.470 70 2HB PRO 10 HB1 PRO 10 23.523 -4.724 27.899 71 1HG PRO 10 HG2 PRO 10 24.478 -4.557 25.066 72 2HG PRO 10 HG1 PRO 10 25.341 -4.158 26.562 73 1HD PRO 10 HD2 PRO 10 25.675 -6.508 25.226 74 2HD PRO 10 HD1 PRO 10 25.880 -6.350 26.981 75 H SER 11 HN SER 11 20.307 -5.715 26.475 76 HA SER 11 HA SER 11 19.770 -6.752 23.869 77 1HB SER 11 HB2 SER 11 17.510 -5.681 24.212 78 2HB SER 11 HB1 SER 11 17.990 -6.814 25.475 79 HG SER 11 HG SER 11 17.984 -5.238 26.869 80 HA PRO 12 HA PRO 12 21.212 -3.010 21.809 81 1HB PRO 12 HB2 PRO 12 20.874 -3.929 19.276 82 2HB PRO 12 HB1 PRO 12 22.254 -4.377 20.285 83 1HG PRO 12 HG2 PRO 12 19.742 -5.903 19.724 84 2HG PRO 12 HG1 PRO 12 21.415 -6.488 19.793 85 1HD PRO 12 HD2 PRO 12 19.664 -6.807 21.838 86 2HD PRO 12 HD1 PRO 12 21.409 -6.608 22.092 87 H THR 13 HN THR 13 20.126 -1.236 21.155 88 HA THR 13 HA THR 13 17.273 -1.268 21.070 89 HB THR 13 HB THR 13 17.606 1.182 20.383 90 HG1 THR 13 HG1 THR 13 19.654 1.149 19.563 91 1HG2 THR 13 1HG2 THR 13 17.214 0.527 22.714 92 2HG2 THR 13 3HG2 THR 13 18.952 0.314 22.929 93 3HG2 THR 13 2HG2 THR 13 18.296 1.912 22.570 94 H PHE 14 HN PHE 14 16.722 -2.638 19.352 95 HA PHE 14 HA PHE 14 17.660 -2.433 16.721 96 1HB PHE 14 HB2 PHE 14 14.989 -3.430 17.733 97 2HB PHE 14 HB1 PHE 14 15.592 -3.672 16.097 98 HD1 PHE 14 HD1 PHE 14 17.872 -4.879 15.880 99 HD2 PHE 14 HD2 PHE 14 15.440 -4.996 19.372 100 HE1 PHE 14 HE1 PHE 14 19.021 -6.929 16.607 101 HE2 PHE 14 HE2 PHE 14 16.586 -7.046 20.104 102 HZ PHE 14 HZ PHE 14 18.378 -8.016 18.722 103 H LEU 15 HN LEU 15 14.894 -0.870 18.307 104 HA LEU 15 HA LEU 15 13.829 0.374 16.016 105 1HB LEU 15 HB2 LEU 15 12.918 0.124 18.482 106 2HB LEU 15 HB1 LEU 15 13.662 1.697 18.689 107 HG LEU 15 HG LEU 15 12.282 2.385 16.609 108 1HD1 LEU 15 1HD1 LEU 15 10.786 -0.082 17.482 109 2HD1 LEU 15 3HD1 LEU 15 10.180 1.138 16.363 110 3HD1 LEU 15 2HD1 LEU 15 11.586 0.166 15.930 111 1HD2 LEU 15 3HD2 LEU 15 10.939 1.800 19.246 112 2HD2 LEU 15 2HD2 LEU 15 11.885 3.236 18.856 113 3HD2 LEU 15 1HD2 LEU 15 10.361 2.932 18.023 114 H THR 16 HN THR 16 15.931 1.731 18.570 115 HA THR 16 HA THR 16 16.365 4.225 17.390 116 HB THR 16 HB THR 16 18.328 2.708 19.116 117 HG1 THR 16 HG1 THR 16 17.143 3.229 20.807 118 1HG2 THR 16 2HG2 THR 16 17.901 5.649 18.670 119 2HG2 THR 16 1HG2 THR 16 18.868 4.975 19.981 120 3HG2 THR 16 3HG2 THR 16 19.343 4.702 18.306 121 H GLN 17 HN GLN 17 17.922 1.129 16.806 122 HA GLN 17 HA GLN 17 20.192 2.028 15.423 123 1HB GLN 17 HB2 GLN 17 18.796 -0.511 15.813 124 2HB GLN 17 HB1 GLN 17 19.583 -0.394 14.246 125 1HG GLN 17 HG2 GLN 17 21.568 -0.762 15.144 126 2HG GLN 17 HG1 GLN 17 21.347 0.547 16.303 127 1HE2 GLN 17 1HE2 GLN 17 21.603 -0.104 18.315 128 2HE2 GLN 17 2HE2 GLN 17 21.148 -1.642 18.957 129 H VAL 18 HN VAL 18 16.912 1.335 14.302 130 HA VAL 18 HA VAL 18 16.912 1.154 11.675 131 HB VAL 18 HB VAL 18 14.915 1.624 13.175 132 1HG1 VAL 18 1HG1 VAL 18 15.769 3.899 13.872 133 2HG1 VAL 18 3HG1 VAL 18 15.284 4.471 12.275 134 3HG1 VAL 18 2HG1 VAL 18 14.076 3.822 13.384 135 1HG2 VAL 18 2HG2 VAL 18 14.812 1.198 10.737 136 2HG2 VAL 18 1HG2 VAL 18 13.525 2.257 11.317 137 3HG2 VAL 18 3HG2 VAL 18 14.909 2.937 10.461 138 H LYS 19 HN LYS 19 17.622 4.277 13.251 139 HA LYS 19 HA LYS 19 17.762 5.909 11.034 140 1HB LYS 19 HB2 LYS 19 19.416 5.960 13.558 141 2HB LYS 19 HB1 LYS 19 19.442 7.246 12.360 142 1HG LYS 19 HG2 LYS 19 16.847 7.223 12.730 143 2HG LYS 19 HG1 LYS 19 17.288 6.465 14.261 144 1HD LYS 19 HD2 LYS 19 18.684 8.347 14.841 145 2HD LYS 19 HD1 LYS 19 18.408 9.082 13.260 146 1HE LYS 19 HE2 LYS 19 15.971 9.168 13.818 147 2HE LYS 19 HE1 LYS 19 16.383 8.635 15.446 148 1HZ LYS 19 HZ1 LYS 19 17.751 10.612 15.707 149 2HZ LYS 19 HZ3 LYS 19 17.353 11.123 14.145 150 3HZ LYS 19 HZ2 LYS 19 16.156 11.033 15.337 151 H GLU 20 HN GLU 20 20.446 4.047 12.458 152 HA GLU 20 HA GLU 20 22.349 4.757 10.503 153 1HB GLU 20 HB2 GLU 20 22.289 2.250 12.190 154 2HB GLU 20 HB1 GLU 20 23.695 2.925 11.380 155 1HG GLU 20 HG2 GLU 20 24.122 3.833 13.376 156 2HG GLU 20 HG1 GLU 20 22.926 5.032 12.891 157 H SER 21 HN SER 21 19.876 2.318 10.610 158 HA SER 21 HA SER 21 20.810 0.624 8.560 159 1HB SER 21 HB2 SER 21 18.851 0.280 10.241 160 2HB SER 21 HB1 SER 21 17.879 1.113 9.028 161 HG SER 21 HG SER 21 18.061 -0.554 7.710 162 H LEU 22 HN LEU 22 18.667 3.454 8.495 163 HA LEU 22 HA LEU 22 18.223 3.375 5.682 164 1HB LEU 22 HB2 LEU 22 17.654 5.290 7.888 165 2HB LEU 22 HB1 LEU 22 17.643 5.917 6.252 166 HG LEU 22 HG LEU 22 15.394 5.333 6.931 167 1HD1 LEU 22 1HD1 LEU 22 16.182 4.940 4.570 168 2HD1 LEU 22 3HD1 LEU 22 16.318 3.233 4.988 169 3HD1 LEU 22 2HD1 LEU 22 14.750 4.037 5.062 170 1HD2 LEU 22 1HD2 LEU 22 16.016 3.630 8.606 171 2HD2 LEU 22 3HD2 LEU 22 14.749 3.080 7.510 172 3HD2 LEU 22 2HD2 LEU 22 16.407 2.516 7.297 173 H SER 23 HN SER 23 20.504 5.097 7.774 174 HA SER 23 HA SER 23 21.594 6.820 5.860 175 1HB SER 23 HB2 SER 23 22.958 5.562 8.255 176 2HB SER 23 HB1 SER 23 23.563 6.951 7.353 177 HG SER 23 HG SER 23 21.515 6.789 9.204 178 H SER 24 HN SER 24 22.812 3.650 6.947 179 HA SER 24 HA SER 24 24.866 3.467 5.015 180 1HB SER 24 HB2 SER 24 23.426 1.259 6.508 181 2HB SER 24 HB1 SER 24 24.935 1.068 5.617 182 HG SER 24 HG SER 24 24.456 2.269 8.074 183 H TYR 25 HN TYR 25 21.463 3.068 4.764 184 HA TYR 25 HA TYR 25 21.519 1.297 2.491 185 1HB TYR 25 HB2 TYR 25 19.569 1.113 3.814 186 2HB TYR 25 HB1 TYR 25 19.342 2.856 3.874 187 HD1 TYR 25 HD1 TYR 25 18.019 3.959 2.261 188 HD2 TYR 25 HD2 TYR 25 19.163 -0.090 1.625 189 HE1 TYR 25 HE1 TYR 25 16.475 3.828 0.354 190 HE2 TYR 25 HE2 TYR 25 17.622 -0.230 -0.286 191 HH TYR 25 HH TYR 25 16.555 1.963 -1.955 192 H TRP 26 HN TRP 26 20.989 4.769 3.039 193 HA TRP 26 HA TRP 26 20.461 5.459 0.359 194 1HB TRP 26 HB2 TRP 26 19.963 6.915 2.316 195 2HB TRP 26 HB1 TRP 26 21.690 7.205 2.504 196 HD1 TRP 26 HD1 TRP 26 22.319 9.495 1.581 197 HE1 TRP 26 HE1 TRP 26 21.584 10.965 -0.400 198 HE3 TRP 26 HE3 TRP 26 18.716 6.453 -0.398 199 HZ2 TRP 26 HZ2 TRP 26 19.723 10.852 -2.520 200 HZ3 TRP 26 HZ3 TRP 26 17.506 7.209 -2.402 201 HH2 TRP 26 HH2 TRP 26 18.000 9.363 -3.440 202 H GLU 27 HN GLU 27 23.445 5.103 2.164 203 HA GLU 27 HA GLU 27 25.357 6.340 0.707 204 1HB GLU 27 HB2 GLU 27 25.893 5.027 2.675 205 2HB GLU 27 HB1 GLU 27 25.467 3.540 1.844 206 1HG GLU 27 HG2 GLU 27 27.586 5.223 0.636 207 2HG GLU 27 HG1 GLU 27 27.973 4.357 2.123 208 H SER 28 HN SER 28 24.268 3.015 0.035 209 HA SER 28 HA SER 28 25.375 3.200 -2.661 210 1HB SER 28 HB2 SER 28 25.592 1.182 -0.962 211 2HB SER 28 HB1 SER 28 24.032 0.729 -1.649 212 HG SER 28 HG SER 28 24.950 0.411 -3.576 213 H ALA 29 HN ALA 29 22.437 3.843 -1.173 214 HA ALA 29 HA ALA 29 20.561 2.705 -2.930 215 1HB ALA 29 HB1 ALA 29 19.875 3.681 -0.827 216 2HB ALA 29 HB2 ALA 29 19.025 4.468 -2.156 217 3HB ALA 29 HB3 ALA 29 20.380 5.280 -1.374 218 H LYS 30 HN LYS 30 22.481 5.660 -3.183 219 HA LYS 30 HA LYS 30 21.174 6.933 -5.266 220 1HB LYS 30 HB2 LYS 30 23.174 7.769 -3.934 221 2HB LYS 30 HB1 LYS 30 24.177 6.818 -5.021 222 1HG LYS 30 HG2 LYS 30 23.017 8.132 -6.904 223 2HG LYS 30 HG1 LYS 30 22.526 9.240 -5.621 224 1HD LYS 30 HD2 LYS 30 24.502 10.206 -6.287 225 2HD LYS 30 HD1 LYS 30 25.073 9.150 -4.995 226 1HE LYS 30 HE2 LYS 30 26.560 8.504 -6.569 227 2HE LYS 30 HE1 LYS 30 25.237 7.454 -7.071 228 1HZ LYS 30 HZ3 LYS 30 24.589 9.465 -8.535 229 2HZ LYS 30 HZ2 LYS 30 26.192 9.951 -8.304 230 3HZ LYS 30 HZ1 LYS 30 25.859 8.462 -9.031 231 H THR 31 HN THR 31 23.767 4.511 -5.521 232 HA THR 31 HA THR 31 24.036 4.340 -8.255 233 HB THR 31 HB THR 31 23.987 1.886 -6.500 234 HG1 THR 31 HG1 THR 31 25.407 2.861 -5.313 235 1HG2 THR 31 3HG2 THR 31 25.705 2.673 -8.840 236 2HG2 THR 31 2HG2 THR 31 25.929 1.226 -7.856 237 3HG2 THR 31 1HG2 THR 31 24.459 1.425 -8.811 238 H ALA 32 HN ALA 32 21.570 2.946 -6.165 239 HA ALA 32 HA ALA 32 20.281 1.349 -8.102 240 1HB ALA 32 HB3 ALA 32 18.707 2.639 -5.923 241 2HB ALA 32 HB2 ALA 32 18.645 0.985 -6.533 242 3HB ALA 32 HB1 ALA 32 19.979 1.493 -5.498 243 H ALA 33 HN ALA 33 19.817 4.732 -7.106 244 HA ALA 33 HA ALA 33 17.550 5.383 -8.530 245 1HB ALA 33 HB2 ALA 33 18.916 6.855 -6.958 246 2HB ALA 33 HB1 ALA 33 19.890 7.254 -8.372 247 3HB ALA 33 HB3 ALA 33 18.170 7.641 -8.349 248 H GLN 34 HN GLN 34 20.894 5.639 -9.735 249 HA GLN 34 HA GLN 34 20.140 6.330 -12.372 250 1HB GLN 34 HB2 GLN 34 22.676 5.018 -11.366 251 2HB GLN 34 HB1 GLN 34 22.462 5.677 -12.982 252 1HG GLN 34 HG2 GLN 34 22.883 7.749 -12.301 253 2HG GLN 34 HG1 GLN 34 21.808 7.601 -10.913 254 1HE2 GLN 34 1HE2 GLN 34 22.648 6.588 -8.992 255 2HE2 GLN 34 2HE2 GLN 34 24.338 6.670 -8.647 256 H ASN 35 HN ASN 35 20.744 3.278 -10.725 257 HA ASN 35 HA ASN 35 20.646 1.592 -12.985 258 1HB ASN 35 HB2 ASN 35 21.403 1.011 -10.599 259 2HB ASN 35 HB1 ASN 35 19.694 0.775 -10.244 260 1HD2 ASN 35 1HD2 ASN 35 18.606 -0.970 -11.143 261 2HD2 ASN 35 2HD2 ASN 35 19.435 -2.289 -11.891 262 H LEU 36 HN LEU 36 18.169 3.180 -11.187 263 HA LEU 36 HA LEU 36 15.928 1.630 -11.800 264 1HB LEU 36 HB2 LEU 36 16.243 3.834 -10.339 265 2HB LEU 36 HB1 LEU 36 15.720 4.611 -11.821 266 HG LEU 36 HG LEU 36 13.714 2.974 -11.716 267 1HD1 LEU 36 3HD1 LEU 36 14.684 2.876 -8.863 268 2HD1 LEU 36 2HD1 LEU 36 13.100 2.335 -9.419 269 3HD1 LEU 36 1HD1 LEU 36 14.558 1.518 -9.982 270 1HD2 LEU 36 3HD2 LEU 36 13.566 5.400 -11.404 271 2HD2 LEU 36 2HD2 LEU 36 12.473 4.537 -10.321 272 3HD2 LEU 36 1HD2 LEU 36 13.983 5.204 -9.701 273 H TYR 37 HN TYR 37 17.504 4.295 -13.460 274 HA TYR 37 HA TYR 37 15.836 4.340 -15.751 275 1HB TYR 37 HB2 TYR 37 18.502 5.454 -15.025 276 2HB TYR 37 HB1 TYR 37 18.127 5.325 -16.739 277 HD1 TYR 37 HD1 TYR 37 17.194 6.936 -13.572 278 HD2 TYR 37 HD2 TYR 37 16.449 6.728 -17.756 279 HE1 TYR 37 HE1 TYR 37 15.909 9.027 -13.440 280 HE2 TYR 37 HE2 TYR 37 15.160 8.818 -17.636 281 HH TYR 37 HH TYR 37 15.330 10.969 -15.535 282 H GLU 38 HN GLU 38 18.778 2.628 -14.881 283 HA GLU 38 HA GLU 38 19.437 1.503 -17.342 284 1HB GLU 38 HB2 GLU 38 20.708 1.498 -15.070 285 2HB GLU 38 HB1 GLU 38 19.856 -0.013 -14.791 286 1HG GLU 38 HG2 GLU 38 21.607 0.540 -17.175 287 2HG GLU 38 HG1 GLU 38 22.135 -0.292 -15.714 288 H LYS 39 HN LYS 39 17.727 -0.165 -14.697 289 HA LYS 39 HA LYS 39 17.047 -2.436 -16.167 290 1HB LYS 39 HB2 LYS 39 15.419 -2.904 -14.393 291 2HB LYS 39 HB1 LYS 39 16.970 -2.400 -13.741 292 1HG LYS 39 HG2 LYS 39 15.823 -0.983 -12.476 293 2HG LYS 39 HG1 LYS 39 15.578 -0.034 -13.940 294 1HD LYS 39 HD2 LYS 39 13.680 -2.205 -13.787 295 2HD LYS 39 HD1 LYS 39 13.614 -1.205 -12.335 296 1HE LYS 39 HE2 LYS 39 12.619 0.463 -13.426 297 2HE LYS 39 HE1 LYS 39 13.802 0.408 -14.730 298 1HZ LYS 39 HZ2 LYS 39 12.548 -1.460 -15.687 299 2HZ LYS 39 HZ1 LYS 39 11.381 -1.291 -14.475 300 3HZ LYS 39 HZ3 LYS 39 11.626 -0.045 -15.594 301 H THR 40 HN THR 40 15.810 0.701 -16.579 302 HA THR 40 HA THR 40 13.124 0.010 -17.274 303 HB THR 40 HB THR 40 14.757 2.437 -18.040 304 HG1 THR 40 HG1 THR 40 14.513 2.549 -15.896 305 1HG2 THR 40 3HG2 THR 40 11.806 1.922 -18.248 306 2HG2 THR 40 2HG2 THR 40 12.520 3.535 -18.265 307 3HG2 THR 40 1HG2 THR 40 12.925 2.378 -19.533 308 H TYR 41 HN TYR 41 16.069 0.603 -19.121 309 HA TYR 41 HA TYR 41 14.943 0.203 -21.684 310 1HB TYR 41 HB2 TYR 41 17.830 -0.338 -21.018 311 2HB TYR 41 HB1 TYR 41 17.149 0.250 -22.530 312 HD1 TYR 41 HD1 TYR 41 15.683 2.555 -22.056 313 HD2 TYR 41 HD2 TYR 41 19.090 1.211 -19.890 314 HE1 TYR 41 HE1 TYR 41 16.145 4.867 -21.361 315 HE2 TYR 41 HE2 TYR 41 19.562 3.519 -19.188 316 HH TYR 41 HH TYR 41 17.630 5.834 -19.057 317 H LEU 42 HN LEU 42 16.794 -1.991 -19.566 318 HA LEU 42 HA LEU 42 16.636 -4.210 -21.338 319 1HB LEU 42 HB2 LEU 42 17.283 -4.032 -18.398 320 2HB LEU 42 HB1 LEU 42 17.380 -5.519 -19.322 321 HG LEU 42 HG LEU 42 19.000 -3.029 -19.869 322 1HD1 LEU 42 2HD1 LEU 42 19.595 -4.180 -17.761 323 2HD1 LEU 42 1HD1 LEU 42 19.875 -5.657 -18.684 324 3HD1 LEU 42 3HD1 LEU 42 20.877 -4.234 -18.970 325 1HD2 LEU 42 2HD2 LEU 42 19.004 -5.767 -21.124 326 2HD2 LEU 42 1HD2 LEU 42 18.667 -4.224 -21.908 327 3HD2 LEU 42 3HD2 LEU 42 20.295 -4.585 -21.337 328 HA PRO 43 HA PRO 43 12.661 -5.807 -20.146 329 1HB PRO 43 HB2 PRO 43 12.722 -8.107 -21.487 330 2HB PRO 43 HB1 PRO 43 12.763 -6.560 -22.342 331 1HG PRO 43 HG2 PRO 43 14.970 -8.486 -21.797 332 2HG PRO 43 HG1 PRO 43 14.703 -7.453 -23.210 333 1HD PRO 43 HD2 PRO 43 16.424 -6.922 -21.040 334 2HD PRO 43 HD1 PRO 43 15.938 -5.782 -22.308 335 H ALA 44 HN ALA 44 14.965 -6.333 -18.256 336 HA ALA 44 HA ALA 44 14.914 -9.017 -17.388 337 1HB ALA 44 HB3 ALA 44 15.614 -6.550 -15.806 338 2HB ALA 44 HB2 ALA 44 16.043 -8.211 -15.397 339 3HB ALA 44 HB1 ALA 44 16.721 -7.454 -16.839 340 H VAL 45 HN VAL 45 12.620 -6.522 -17.023 341 HA VAL 45 HA VAL 45 11.449 -6.670 -14.627 342 HB VAL 45 HB VAL 45 9.950 -6.793 -17.249 343 1HG1 VAL 45 1HG1 VAL 45 9.057 -6.150 -14.453 344 2HG1 VAL 45 3HG1 VAL 45 8.192 -5.556 -15.871 345 3HG1 VAL 45 2HG1 VAL 45 8.356 -7.290 -15.601 346 1HG2 VAL 45 3HG2 VAL 45 11.105 -4.532 -15.646 347 2HG2 VAL 45 2HG2 VAL 45 11.324 -4.901 -17.356 348 3HG2 VAL 45 1HG2 VAL 45 9.777 -4.280 -16.780 349 H ASP 46 HN ASP 46 10.603 -8.978 -17.228 350 HA ASP 46 HA ASP 46 9.121 -10.651 -15.436 351 1HB ASP 46 HB2 ASP 46 10.050 -11.156 -18.269 352 2HB ASP 46 HB1 ASP 46 8.908 -12.160 -17.381 353 H GLU 47 HN GLU 47 12.426 -10.651 -16.653 354 HA GLU 47 HA GLU 47 13.031 -13.352 -15.986 355 1HB GLU 47 HB2 GLU 47 14.717 -10.911 -16.489 356 2HB GLU 47 HB1 GLU 47 15.449 -12.426 -15.977 357 1HG GLU 47 HG2 GLU 47 15.626 -12.705 -18.210 358 2HG GLU 47 HG1 GLU 47 14.004 -13.361 -17.999 359 H LYS 48 HN LYS 48 13.879 -10.314 -14.308 360 HA LYS 48 HA LYS 48 14.965 -11.488 -12.010 361 1HB LYS 48 HB2 LYS 48 14.666 -8.928 -12.930 362 2HB LYS 48 HB1 LYS 48 13.542 -8.948 -11.578 363 1HG LYS 48 HG2 LYS 48 15.366 -9.738 -10.116 364 2HG LYS 48 HG1 LYS 48 16.479 -9.606 -11.479 365 1HD LYS 48 HD2 LYS 48 14.827 -7.275 -10.546 366 2HD LYS 48 HD1 LYS 48 16.393 -7.654 -9.827 367 1HE LYS 48 HE2 LYS 48 17.250 -6.369 -11.445 368 2HE LYS 48 HE1 LYS 48 16.947 -7.741 -12.507 369 1HZ LYS 48 HZ3 LYS 48 15.062 -5.492 -12.043 370 2HZ LYS 48 HZ2 LYS 48 16.054 -5.667 -13.400 371 3HZ LYS 48 HZ1 LYS 48 14.823 -6.787 -13.105 372 H LEU 49 HN LEU 49 11.644 -10.945 -12.948 373 HA LEU 49 HA LEU 49 10.430 -11.125 -10.408 374 1HB LEU 49 HB2 LEU 49 9.557 -11.309 -13.219 375 2HB LEU 49 HB1 LEU 49 8.559 -12.198 -12.086 376 HG LEU 49 HG LEU 49 9.229 -9.290 -11.687 377 1HD1 LEU 49 1HD1 LEU 49 8.107 -9.633 -13.874 378 2HD1 LEU 49 3HD1 LEU 49 6.768 -10.404 -13.024 379 3HD1 LEU 49 2HD1 LEU 49 7.144 -8.707 -12.725 380 1HD2 LEU 49 3HD2 LEU 49 7.032 -11.061 -10.617 381 2HD2 LEU 49 2HD2 LEU 49 8.442 -10.493 -9.721 382 3HD2 LEU 49 1HD2 LEU 49 7.228 -9.341 -10.276 383 H ARG 50 HN ARG 50 10.613 -13.606 -12.972 384 HA ARG 50 HA ARG 50 9.899 -15.757 -11.287 385 1HB ARG 50 HB2 ARG 50 10.247 -15.440 -13.991 386 2HB ARG 50 HB1 ARG 50 11.638 -16.428 -13.566 387 1HG ARG 50 HG2 ARG 50 9.874 -17.886 -14.202 388 2HG ARG 50 HG1 ARG 50 10.071 -18.021 -12.454 389 1HD ARG 50 HD2 ARG 50 8.224 -15.985 -12.754 390 2HD ARG 50 HD1 ARG 50 7.780 -17.136 -14.012 391 HE ARG 50 HE ARG 50 7.994 -18.773 -11.956 392 1HH1 ARG 50 1HH1 ARG 50 6.492 -15.607 -12.080 393 2HH1 ARG 50 2HH1 ARG 50 5.347 -15.970 -10.835 394 1HH2 ARG 50 1HH2 ARG 50 6.480 -19.240 -10.322 395 2HH2 ARG 50 2HH2 ARG 50 5.338 -18.032 -9.837 396 H ASP 51 HN ASP 51 12.929 -14.153 -11.958 397 HA ASP 51 HA ASP 51 14.756 -16.095 -11.154 398 1HB ASP 51 HB2 ASP 51 15.441 -13.987 -12.206 399 2HB ASP 51 HB1 ASP 51 14.929 -13.096 -10.776 400 H LEU 52 HN LEU 52 13.416 -13.454 -9.155 401 HA LEU 52 HA LEU 52 14.454 -14.396 -6.714 402 1HB LEU 52 HB2 LEU 52 12.405 -12.419 -7.540 403 2HB LEU 52 HB1 LEU 52 12.300 -13.005 -5.893 404 HG LEU 52 HG LEU 52 13.560 -10.921 -6.007 405 1HD1 LEU 52 2HD1 LEU 52 14.127 -12.713 -4.345 406 2HD1 LEU 52 1HD1 LEU 52 15.457 -13.178 -5.406 407 3HD1 LEU 52 3HD1 LEU 52 15.424 -11.567 -4.689 408 1HD2 LEU 52 2HD2 LEU 52 14.410 -11.191 -8.304 409 2HD2 LEU 52 1HD2 LEU 52 15.683 -10.770 -7.157 410 3HD2 LEU 52 3HD2 LEU 52 15.524 -12.431 -7.727 411 H TYR 53 HN TYR 53 11.598 -15.264 -8.526 412 HA TYR 53 HA TYR 53 10.155 -16.504 -6.422 413 1HB TYR 53 HB2 TYR 53 9.976 -16.380 -9.366 414 2HB TYR 53 HB1 TYR 53 9.302 -17.834 -8.641 415 HD1 TYR 53 HD1 TYR 53 7.080 -17.791 -8.018 416 HD2 TYR 53 HD2 TYR 53 9.236 -14.126 -8.146 417 HE1 TYR 53 HE1 TYR 53 5.021 -16.566 -7.469 418 HE2 TYR 53 HE2 TYR 53 7.183 -12.892 -7.597 419 HH TYR 53 HH TYR 53 4.699 -13.965 -6.239 420 H SER 54 HN SER 54 12.562 -17.681 -8.735 421 HA SER 54 HA SER 54 12.349 -20.426 -8.176 422 1HB SER 54 HB2 SER 54 14.785 -18.852 -9.058 423 2HB SER 54 HB1 SER 54 14.620 -20.606 -9.135 424 HG SER 54 HG SER 54 13.228 -20.427 -10.764 425 H LYS 55 HN LYS 55 14.600 -17.990 -6.853 426 HA LYS 55 HA LYS 55 15.861 -19.695 -5.002 427 1HB LYS 55 HB2 LYS 55 15.501 -16.698 -5.050 428 2HB LYS 55 HB1 LYS 55 16.451 -17.522 -3.822 429 1HG LYS 55 HG2 LYS 55 18.205 -17.437 -5.163 430 2HG LYS 55 HG1 LYS 55 17.358 -18.480 -6.307 431 1HD LYS 55 HD2 LYS 55 16.208 -16.209 -7.001 432 2HD LYS 55 HD1 LYS 55 17.671 -15.516 -6.300 433 1HE LYS 55 HE2 LYS 55 18.246 -15.785 -8.531 434 2HE LYS 55 HE1 LYS 55 18.916 -17.230 -7.777 435 1HZ LYS 55 HZ1 LYS 55 16.327 -17.079 -9.228 436 2HZ LYS 55 HZ3 LYS 55 17.756 -17.759 -9.826 437 3HZ LYS 55 HZ2 LYS 55 16.969 -18.466 -8.506 438 H SER 56 HN SER 56 13.039 -17.572 -4.717 439 HA SER 56 HA SER 56 12.595 -17.885 -1.962 440 1HB SER 56 HB2 SER 56 10.817 -17.112 -4.259 441 2HB SER 56 HB1 SER 56 10.177 -17.256 -2.623 442 HG SER 56 HG SER 56 11.984 -15.405 -3.678 443 H THR 57 HN THR 57 12.079 -20.176 -4.502 444 HA THR 57 HA THR 57 9.860 -21.569 -3.550 445 HB THR 57 HB THR 57 12.281 -22.758 -4.923 446 HG1 THR 57 HG1 THR 57 9.975 -21.506 -5.999 447 1HG2 THR 57 3HG2 THR 57 9.422 -23.678 -4.787 448 2HG2 THR 57 2HG2 THR 57 10.624 -24.315 -5.908 449 3HG2 THR 57 1HG2 THR 57 10.848 -24.511 -4.170 450 H ALA 58 HN ALA 58 13.318 -22.208 -2.913 451 HA ALA 58 HA ALA 58 12.622 -24.066 -0.787 452 1HB ALA 58 HB3 ALA 58 14.447 -24.636 -2.300 453 2HB ALA 58 HB2 ALA 58 15.326 -23.191 -1.798 454 3HB ALA 58 HB1 ALA 58 15.023 -24.487 -0.641 455 H ALA 59 HN ALA 59 14.234 -20.921 -1.138 456 HA ALA 59 HA ALA 59 14.973 -20.577 1.551 457 1HB ALA 59 HB3 ALA 59 15.190 -18.190 0.992 458 2HB ALA 59 HB1 ALA 59 14.383 -18.495 -0.546 459 3HB ALA 59 HB2 ALA 59 15.946 -19.237 -0.209 460 H MET 60 HN MET 60 12.264 -18.959 -0.143 461 HA MET 60 HA MET 60 11.085 -17.934 2.187 462 1HB MET 60 HB2 MET 60 10.584 -17.820 -0.580 463 2HB MET 60 HB1 MET 60 9.098 -18.398 0.159 464 1HG MET 60 HG2 MET 60 10.447 -16.063 1.392 465 2HG MET 60 HG1 MET 60 9.621 -15.827 -0.146 466 1HE MET 60 HE2 MET 60 9.297 -17.147 3.489 467 2HE MET 60 HE1 MET 60 9.172 -15.388 3.510 468 3HE MET 60 HE3 MET 60 7.785 -16.376 3.968 469 H SER 61 HN SER 61 11.018 -21.147 0.938 470 HA SER 61 HA SER 61 8.504 -21.974 1.946 471 1HB SER 61 HB2 SER 61 10.804 -23.221 0.693 472 2HB SER 61 HB1 SER 61 10.162 -24.227 1.990 473 HG SER 61 HG SER 61 9.001 -23.469 -0.421 474 H THR 62 HN THR 62 11.457 -21.261 3.550 475 HA THR 62 HA THR 62 10.737 -22.857 5.893 476 HB THR 62 HB THR 62 12.941 -22.178 6.785 477 HG1 THR 62 HG1 THR 62 13.674 -20.387 5.976 478 1HG2 THR 62 2HG2 THR 62 12.785 -24.184 5.339 479 2HG2 THR 62 1HG2 THR 62 13.245 -23.176 3.967 480 3HG2 THR 62 3HG2 THR 62 14.364 -23.397 5.313 481 H TYR 63 HN TYR 63 11.535 -19.485 5.055 482 HA TYR 63 HA TYR 63 10.813 -18.389 7.540 483 1HB TYR 63 HB2 TYR 63 12.250 -17.311 5.728 484 2HB TYR 63 HB1 TYR 63 10.742 -16.913 4.910 485 HD1 TYR 63 HD1 TYR 63 9.606 -14.948 5.458 486 HD2 TYR 63 HD2 TYR 63 12.517 -16.477 8.159 487 HE1 TYR 63 HE1 TYR 63 9.398 -12.915 6.824 488 HE2 TYR 63 HE2 TYR 63 12.317 -14.448 9.532 489 HH TYR 63 HH TYR 63 10.171 -12.600 9.787 490 H THR 64 HN THR 64 8.898 -19.610 4.963 491 HA THR 64 HA THR 64 6.646 -17.909 5.332 492 HB THR 64 HB THR 64 7.103 -20.527 3.956 493 HG1 THR 64 HG1 THR 64 7.263 -19.109 2.431 494 1HG2 THR 64 1HG2 THR 64 4.398 -19.410 4.615 495 2HG2 THR 64 3HG2 THR 64 4.688 -20.439 3.212 496 3HG2 THR 64 2HG2 THR 64 4.994 -21.055 4.836 497 H GLY 65 HN GLY 65 7.229 -21.275 6.333 498 1HA GLY 65 HA1 GLY 65 6.377 -22.478 8.101 499 2HA GLY 65 HA2 GLY 65 5.005 -21.374 8.095 500 H ILE 66 HN ILE 66 8.391 -20.483 8.476 501 HA ILE 66 HA ILE 66 8.440 -20.316 11.299 502 HB ILE 66 HB ILE 66 10.131 -18.973 9.190 503 1HG1 ILE 66 2HG1 ILE 66 10.970 -21.057 11.196 504 2HG1 ILE 66 1HG1 ILE 66 10.212 -21.508 9.672 505 1HG2 ILE 66 2HG2 ILE 66 10.276 -18.749 12.181 506 2HG2 ILE 66 1HG2 ILE 66 11.696 -18.517 11.161 507 3HG2 ILE 66 3HG2 ILE 66 10.295 -17.463 10.974 508 1HD1 ILE 66 1HD1 ILE 66 12.106 -19.950 8.689 509 2HD1 ILE 66 3HD1 ILE 66 12.903 -20.391 10.199 510 3HD1 ILE 66 2HD1 ILE 66 12.394 -21.648 9.072 511 H PHE 67 HN PHE 67 8.190 -17.727 8.852 512 HA PHE 67 HA PHE 67 7.748 -15.576 10.532 513 1HB PHE 67 HB2 PHE 67 8.091 -15.323 8.119 514 2HB PHE 67 HB1 PHE 67 6.517 -16.046 7.807 515 HD1 PHE 67 HD1 PHE 67 4.581 -14.733 7.772 516 HD2 PHE 67 HD2 PHE 67 8.184 -13.131 9.374 517 HE1 PHE 67 HE1 PHE 67 3.541 -12.506 7.878 518 HE2 PHE 67 HE2 PHE 67 7.150 -10.903 9.483 519 HZ PHE 67 HZ PHE 67 4.824 -10.588 8.736 520 H THR 68 HN THR 68 5.221 -17.531 8.944 521 HA THR 68 HA THR 68 3.069 -16.344 10.317 522 HB THR 68 HB THR 68 1.740 -18.267 9.506 523 HG1 THR 68 HG1 THR 68 2.981 -20.008 9.504 524 1HG2 THR 68 2HG2 THR 68 2.158 -16.419 7.960 525 2HG2 THR 68 1HG2 THR 68 3.622 -17.228 7.402 526 3HG2 THR 68 3HG2 THR 68 2.047 -17.971 7.128 527 H ASP 69 HN ASP 69 5.343 -18.701 11.321 528 HA ASP 69 HA ASP 69 3.849 -20.194 13.153 529 1HB ASP 69 HB2 ASP 69 6.513 -20.088 12.431 530 2HB ASP 69 HB1 ASP 69 6.545 -19.560 14.109 531 H GLN 70 HN GLN 70 5.882 -17.338 13.859 532 HA GLN 70 HA GLN 70 4.861 -17.027 16.495 533 1HB GLN 70 HB2 GLN 70 6.461 -15.204 14.703 534 2HB GLN 70 HB1 GLN 70 5.995 -14.757 16.339 535 1HG GLN 70 HG2 GLN 70 7.369 -16.352 17.307 536 2HG GLN 70 HG1 GLN 70 7.466 -17.307 15.829 537 1HE2 GLN 70 1HE2 GLN 70 8.634 -14.479 17.503 538 2HE2 GLN 70 2HE2 GLN 70 10.007 -14.203 16.490 539 H VAL 71 HN VAL 71 3.779 -15.949 13.392 540 HA VAL 71 HA VAL 71 2.201 -13.739 14.240 541 HB VAL 71 HB VAL 71 1.945 -15.493 11.782 542 1HG1 VAL 71 2HG1 VAL 71 0.513 -12.961 12.555 543 2HG1 VAL 71 1HG1 VAL 71 0.634 -13.520 10.886 544 3HG1 VAL 71 3HG1 VAL 71 -0.184 -14.514 12.091 545 1HG2 VAL 71 1HG2 VAL 71 3.997 -13.891 12.295 546 2HG2 VAL 71 3HG2 VAL 71 3.323 -14.053 10.673 547 3HG2 VAL 71 2HG2 VAL 71 2.880 -12.675 11.679 548 H LEU 72 HN LEU 72 1.389 -17.073 13.340 549 HA LEU 72 HA LEU 72 -1.297 -17.048 14.126 550 1HB LEU 72 HB2 LEU 72 -0.031 -18.830 12.785 551 2HB LEU 72 HB1 LEU 72 0.517 -19.448 14.330 552 HG LEU 72 HG LEU 72 -2.403 -19.094 14.081 553 1HD1 LEU 72 1HD1 LEU 72 -1.872 -19.898 11.841 554 2HD1 LEU 72 3HD1 LEU 72 -0.956 -21.237 12.532 555 3HD1 LEU 72 2HD1 LEU 72 -2.700 -21.137 12.783 556 1HD2 LEU 72 3HD2 LEU 72 -0.604 -21.289 15.100 557 2HD2 LEU 72 2HD2 LEU 72 -1.440 -20.073 16.066 558 3HD2 LEU 72 1HD2 LEU 72 -2.364 -21.297 15.198 559 H SER 73 HN SER 73 1.701 -17.645 15.874 560 HA SER 73 HA SER 73 0.625 -18.560 18.291 561 1HB SER 73 HB2 SER 73 3.085 -18.500 17.580 562 2HB SER 73 HB1 SER 73 3.083 -16.822 18.119 563 HG SER 73 HG SER 73 3.753 -18.132 19.810 564 H VAL 74 HN VAL 74 1.168 -15.284 17.118 565 HA VAL 74 HA VAL 74 0.396 -14.018 19.558 566 HB VAL 74 HB VAL 74 1.663 -13.138 17.317 567 1HG1 VAL 74 3HG1 VAL 74 -0.674 -13.053 16.227 568 2HG1 VAL 74 2HG1 VAL 74 -0.913 -11.614 17.217 569 3HG1 VAL 74 1HG1 VAL 74 0.399 -11.667 16.040 570 1HG2 VAL 74 2HG2 VAL 74 0.474 -11.849 19.694 571 2HG2 VAL 74 1HG2 VAL 74 2.148 -11.899 19.143 572 3HG2 VAL 74 3HG2 VAL 74 1.008 -10.780 18.397 573 H LEU 75 HN LEU 75 -1.359 -15.537 17.051 574 HA LEU 75 HA LEU 75 -3.744 -14.022 17.092 575 1HB LEU 75 HB2 LEU 75 -2.970 -15.857 15.435 576 2HB LEU 75 HB1 LEU 75 -3.669 -16.977 16.589 577 HG LEU 75 HG LEU 75 -5.849 -15.766 16.339 578 1HD1 LEU 75 1HD1 LEU 75 -4.298 -14.337 14.193 579 2HD1 LEU 75 3HD1 LEU 75 -6.061 -14.407 14.228 580 3HD1 LEU 75 2HD1 LEU 75 -5.184 -13.635 15.549 581 1HD2 LEU 75 3HD2 LEU 75 -4.653 -16.968 13.845 582 2HD2 LEU 75 2HD2 LEU 75 -5.414 -17.852 15.168 583 3HD2 LEU 75 1HD2 LEU 75 -6.376 -16.767 14.165 584 H LYS 76 HN LYS 76 -2.581 -16.738 18.953 585 HA LYS 76 HA LYS 76 -4.986 -17.168 20.425 586 1HB LYS 76 HB2 LYS 76 -2.136 -18.001 20.992 587 2HB LYS 76 HB1 LYS 76 -3.527 -18.538 21.924 588 1HG LYS 76 HG2 LYS 76 -4.347 -19.843 20.194 589 2HG LYS 76 HG1 LYS 76 -3.432 -18.966 18.965 590 1HD LYS 76 HD2 LYS 76 -1.340 -19.882 20.047 591 2HD LYS 76 HD1 LYS 76 -2.392 -20.930 21.000 592 1HE LYS 76 HE2 LYS 76 -3.344 -21.781 18.843 593 2HE LYS 76 HE1 LYS 76 -2.092 -20.869 18.001 594 1HZ LYS 76 HZ3 LYS 76 -1.617 -23.030 19.985 595 2HZ LYS 76 HZ2 LYS 76 -1.450 -23.175 18.308 596 3HZ LYS 76 HZ1 LYS 76 -0.415 -22.155 19.176 597 H GLY 77 HN GLY 77 -2.048 -15.280 20.980 598 1HA GLY 77 HA1 GLY 77 -1.499 -13.733 22.583 599 2HA GLY 77 HA2 GLY 77 -2.557 -14.605 23.680 600 H GLU 78 HN GLU 78 -2.604 -12.254 21.012 601 HA GLU 78 HA GLU 78 -5.139 -11.186 22.043 602 1HB GLU 78 HB2 GLU 78 -4.139 -8.855 21.661 603 2HB GLU 78 HB1 GLU 78 -3.629 -9.732 23.096 604 1HG GLU 78 HG2 GLU 78 -1.732 -8.661 22.092 605 2HG GLU 78 HG1 GLU 78 -1.572 -10.407 21.924 606 H GLU 79 HN GLU 79 -4.406 -12.753 19.632 607 HA GLU 79 HA GLU 79 -5.123 -12.875 17.484 608 1HB GLU 79 HB2 GLU 79 -6.694 -10.774 18.545 609 2HB GLU 79 HB1 GLU 79 -6.123 -10.234 16.972 610 1HG GLU 79 HG2 GLU 79 -8.265 -11.324 16.763 611 2HG GLU 79 HG1 GLU 79 -7.017 -12.269 15.953 No H/Q in entry = 611 Start of MODEL 30 1 H1 THR 1 HT1 THR 1 31.512 1.126 19.217 2 H2 THR 1 HT3 THR 1 30.610 1.711 20.552 3 H3 THR 1 HT2 THR 1 29.976 1.843 18.963 4 HA THR 1 HA THR 1 31.467 3.449 18.349 5 HB THR 1 HB THR 1 31.163 5.181 20.090 6 HG1 THR 1 HG1 THR 1 31.338 4.367 22.034 7 1HG2 THR 1 2HG2 THR 1 29.205 4.206 18.653 8 2HG2 THR 1 1HG2 THR 1 28.629 3.639 20.220 9 3HG2 THR 1 3HG2 THR 1 28.897 5.361 19.949 10 H GLN 2 HN GLN 2 32.439 2.052 21.468 11 HA GLN 2 HA GLN 2 34.918 3.396 21.664 12 1HB GLN 2 HB2 GLN 2 34.255 0.697 22.844 13 2HB GLN 2 HB1 GLN 2 35.454 1.845 23.420 14 1HG GLN 2 HG2 GLN 2 33.960 2.831 24.718 15 2HG GLN 2 HG1 GLN 2 32.879 3.097 23.352 16 1HE2 GLN 2 1HE2 GLN 2 31.115 1.804 23.097 17 2HE2 GLN 2 2HE2 GLN 2 30.669 0.556 24.205 18 H GLN 3 HN GLN 3 34.152 0.062 20.640 19 HA GLN 3 HA GLN 3 36.778 -0.060 19.312 20 1HB GLN 3 HB2 GLN 3 35.155 -2.020 20.785 21 2HB GLN 3 HB1 GLN 3 35.825 -2.631 19.280 22 1HG GLN 3 HG2 GLN 3 37.566 -3.143 20.602 23 2HG GLN 3 HG1 GLN 3 38.013 -1.467 20.288 24 1HE2 GLN 3 1HE2 GLN 3 37.466 0.125 21.891 25 2HE2 GLN 3 2HE2 GLN 3 37.319 -0.335 23.548 26 HA PRO 4 HA PRO 4 35.227 -0.299 15.191 27 1HB PRO 4 HB2 PRO 4 36.322 -3.063 14.968 28 2HB PRO 4 HB1 PRO 4 36.591 -1.657 13.931 29 1HG PRO 4 HG2 PRO 4 38.469 -2.462 15.635 30 2HG PRO 4 HG1 PRO 4 38.165 -0.735 15.366 31 1HD PRO 4 HD2 PRO 4 37.382 -2.464 17.673 32 2HD PRO 4 HD1 PRO 4 37.898 -0.765 17.657 33 H GLN 5 HN GLN 5 34.757 -3.258 17.094 34 HA GLN 5 HA GLN 5 32.557 -4.221 15.547 35 1HB GLN 5 HB2 GLN 5 33.305 -4.957 18.385 36 2HB GLN 5 HB1 GLN 5 32.309 -5.895 17.283 37 1HG GLN 5 HG2 GLN 5 34.197 -7.021 16.891 38 2HG GLN 5 HG1 GLN 5 34.583 -5.663 15.835 39 1HE2 GLN 5 1HE2 GLN 5 35.098 -7.053 19.016 40 2HE2 GLN 5 2HE2 GLN 5 36.563 -6.204 19.356 41 H GLN 6 HN GLN 6 30.701 -4.924 17.593 42 HA GLN 6 HA GLN 6 29.093 -2.590 17.639 43 1HB GLN 6 HB2 GLN 6 28.563 -5.231 17.844 44 2HB GLN 6 HB1 GLN 6 28.464 -4.778 19.539 45 1HG GLN 6 HG2 GLN 6 27.022 -2.863 18.005 46 2HG GLN 6 HG1 GLN 6 26.515 -4.479 17.518 47 1HE2 GLN 6 1HE2 GLN 6 25.783 -2.040 19.530 48 2HE2 GLN 6 2HE2 GLN 6 25.030 -2.914 20.815 49 H ASP 7 HN ASP 7 27.980 -2.001 19.866 50 HA ASP 7 HA ASP 7 29.995 -0.779 21.462 51 1HB ASP 7 HB2 ASP 7 27.019 -0.841 21.438 52 2HB ASP 7 HB1 ASP 7 27.803 -0.380 22.946 53 H GLU 8 HN GLU 8 30.965 -1.478 23.261 54 HA GLU 8 HA GLU 8 30.567 -4.140 24.184 55 1HB GLU 8 HB2 GLU 8 32.182 -1.885 25.391 56 2HB GLU 8 HB1 GLU 8 32.264 -3.567 25.895 57 1HG GLU 8 HG2 GLU 8 33.963 -3.717 24.463 58 2HG GLU 8 HG1 GLU 8 32.720 -3.767 23.214 59 H MET 9 HN MET 9 30.326 -1.079 26.029 60 HA MET 9 HA MET 9 28.827 -2.282 28.124 61 1HB MET 9 HB2 MET 9 29.936 0.341 27.537 62 2HB MET 9 HB1 MET 9 28.345 0.461 28.277 63 1HG MET 9 HG2 MET 9 30.163 0.523 29.919 64 2HG MET 9 HG1 MET 9 29.075 -0.841 30.165 65 1HE MET 9 HE1 MET 9 32.250 0.438 28.632 66 2HE MET 9 HE3 MET 9 33.392 -0.904 28.690 67 3HE MET 9 HE2 MET 9 32.191 -0.823 27.401 68 HA PRO 10 HA PRO 10 25.009 0.032 26.210 69 1HB PRO 10 HB2 PRO 10 25.900 0.695 23.477 70 2HB PRO 10 HB1 PRO 10 25.057 1.701 24.658 71 1HG PRO 10 HG2 PRO 10 27.629 2.128 24.044 72 2HG PRO 10 HG1 PRO 10 27.016 2.364 25.690 73 1HD PRO 10 HD2 PRO 10 28.562 0.059 24.558 74 2HD PRO 10 HD1 PRO 10 28.747 0.880 26.121 75 H SER 11 HN SER 11 23.659 -1.608 25.852 76 HA SER 11 HA SER 11 24.342 -3.851 24.220 77 1HB SER 11 HB2 SER 11 21.852 -3.052 25.721 78 2HB SER 11 HB1 SER 11 21.897 -4.495 24.708 79 HG SER 11 HG SER 11 23.245 -3.948 27.102 80 HA PRO 12 HA PRO 12 22.799 -2.685 20.258 81 1HB PRO 12 HB2 PRO 12 21.610 -5.024 19.440 82 2HB PRO 12 HB1 PRO 12 23.351 -4.731 19.403 83 1HG PRO 12 HG2 PRO 12 21.721 -6.206 21.430 84 2HG PRO 12 HG1 PRO 12 23.308 -6.617 20.751 85 1HD PRO 12 HD2 PRO 12 23.052 -5.520 23.192 86 2HD PRO 12 HD1 PRO 12 24.424 -5.135 22.134 87 H THR 13 HN THR 13 21.147 -1.319 20.072 88 HA THR 13 HA THR 13 18.655 -1.678 21.411 89 HB THR 13 HB THR 13 17.963 0.382 20.281 90 HG1 THR 13 HG1 THR 13 20.440 0.288 18.909 91 1HG2 THR 13 2HG2 THR 13 19.467 0.554 22.247 92 2HG2 THR 13 1HG2 THR 13 20.829 0.674 21.132 93 3HG2 THR 13 3HG2 THR 13 19.575 1.913 21.128 94 H PHE 14 HN PHE 14 19.679 -1.953 18.024 95 HA PHE 14 HA PHE 14 18.814 -3.125 16.279 96 1HB PHE 14 HB2 PHE 14 18.151 -4.762 18.209 97 2HB PHE 14 HB1 PHE 14 16.527 -4.140 17.939 98 HD1 PHE 14 HD1 PHE 14 15.378 -4.543 15.817 99 HD2 PHE 14 HD2 PHE 14 19.210 -6.211 16.628 100 HE1 PHE 14 HE1 PHE 14 15.080 -6.123 13.955 101 HE2 PHE 14 HE2 PHE 14 18.918 -7.792 14.766 102 HZ PHE 14 HZ PHE 14 16.852 -7.750 13.427 103 H LEU 15 HN LEU 15 15.894 -2.259 18.161 104 HA LEU 15 HA LEU 15 14.449 -1.345 15.924 105 1HB LEU 15 HB2 LEU 15 14.137 -1.117 18.881 106 2HB LEU 15 HB1 LEU 15 13.176 -0.058 17.869 107 HG LEU 15 HG LEU 15 11.907 -2.037 18.483 108 1HD1 LEU 15 2HD1 LEU 15 11.656 -0.959 16.220 109 2HD1 LEU 15 1HD1 LEU 15 12.645 -2.270 15.577 110 3HD1 LEU 15 3HD1 LEU 15 11.097 -2.628 16.342 111 1HD2 LEU 15 3HD2 LEU 15 13.926 -3.512 18.733 112 2HD2 LEU 15 2HD2 LEU 15 12.552 -4.248 17.907 113 3HD2 LEU 15 1HD2 LEU 15 13.936 -3.674 16.976 114 H THR 16 HN THR 16 15.931 0.549 18.569 115 HA THR 16 HA THR 16 15.574 3.075 17.433 116 HB THR 16 HB THR 16 17.876 2.280 19.219 117 HG1 THR 16 HG1 THR 16 16.393 1.764 20.594 118 1HG2 THR 16 3HG2 THR 16 16.416 4.872 18.812 119 2HG2 THR 16 2HG2 THR 16 17.476 4.550 20.185 120 3HG2 THR 16 1HG2 THR 16 18.126 4.536 18.546 121 H GLN 17 HN GLN 17 17.957 0.623 16.748 122 HA GLN 17 HA GLN 17 19.965 2.204 15.597 123 1HB GLN 17 HB2 GLN 17 19.294 -0.621 15.737 124 2HB GLN 17 HB1 GLN 17 20.011 -0.195 14.189 125 1HG GLN 17 HG2 GLN 17 22.025 0.361 15.113 126 2HG GLN 17 HG1 GLN 17 21.319 0.784 16.672 127 1HE2 GLN 17 1HE2 GLN 17 22.378 -0.482 18.070 128 2HE2 GLN 17 2HE2 GLN 17 22.484 -2.203 17.968 129 H VAL 18 HN VAL 18 16.926 1.043 14.286 130 HA VAL 18 HA VAL 18 17.009 0.990 11.653 131 HB VAL 18 HB VAL 18 14.876 2.290 11.500 132 1HG1 VAL 18 1HG1 VAL 18 15.321 -0.004 13.337 133 2HG1 VAL 18 3HG1 VAL 18 13.714 0.717 13.264 134 3HG1 VAL 18 2HG1 VAL 18 14.457 0.067 11.802 135 1HG2 VAL 18 3HG2 VAL 18 15.639 2.962 14.292 136 2HG2 VAL 18 2HG2 VAL 18 14.814 3.936 13.076 137 3HG2 VAL 18 1HG2 VAL 18 13.932 2.683 13.947 138 H LYS 19 HN LYS 19 17.203 4.113 13.375 139 HA LYS 19 HA LYS 19 17.215 5.831 11.222 140 1HB LYS 19 HB2 LYS 19 18.670 6.006 13.855 141 2HB LYS 19 HB1 LYS 19 18.660 7.324 12.691 142 1HG LYS 19 HG2 LYS 19 16.099 6.132 13.681 143 2HG LYS 19 HG1 LYS 19 16.960 7.354 14.619 144 1HD LYS 19 HD2 LYS 19 16.630 8.999 13.020 145 2HD LYS 19 HD1 LYS 19 16.378 7.830 11.722 146 1HE LYS 19 HE2 LYS 19 14.242 7.171 12.848 147 2HE LYS 19 HE1 LYS 19 14.484 8.512 13.967 148 1HZ LYS 19 HZ2 LYS 19 14.440 10.035 12.087 149 2HZ LYS 19 HZ1 LYS 19 14.206 8.746 11.017 150 3HZ LYS 19 HZ3 LYS 19 13.014 9.128 12.156 151 H GLU 20 HN GLU 20 20.089 4.389 12.760 152 HA GLU 20 HA GLU 20 21.936 5.406 10.884 153 1HB GLU 20 HB2 GLU 20 22.237 2.893 12.534 154 2HB GLU 20 HB1 GLU 20 23.531 3.857 11.837 155 1HG GLU 20 HG2 GLU 20 23.657 4.758 13.875 156 2HG GLU 20 HG1 GLU 20 22.269 5.713 13.356 157 H SER 21 HN SER 21 19.900 2.590 10.928 158 HA SER 21 HA SER 21 21.154 1.076 8.906 159 1HB SER 21 HB2 SER 21 19.226 0.436 10.554 160 2HB SER 21 HB1 SER 21 18.174 1.053 9.279 161 HG SER 21 HG SER 21 18.687 -0.596 8.037 162 H LEU 22 HN LEU 22 18.698 3.617 8.794 163 HA LEU 22 HA LEU 22 18.202 3.416 5.996 164 1HB LEU 22 HB2 LEU 22 17.713 5.716 7.892 165 2HB LEU 22 HB1 LEU 22 17.068 5.591 6.267 166 HG LEU 22 HG LEU 22 16.438 3.334 8.072 167 1HD1 LEU 22 3HD1 LEU 22 16.250 5.313 9.557 168 2HD1 LEU 22 2HD1 LEU 22 15.085 6.003 8.426 169 3HD1 LEU 22 1HD1 LEU 22 14.715 4.496 9.266 170 1HD2 LEU 22 1HD2 LEU 22 15.602 3.514 5.759 171 2HD2 LEU 22 3HD2 LEU 22 14.302 3.467 6.949 172 3HD2 LEU 22 2HD2 LEU 22 14.757 4.997 6.201 173 H SER 23 HN SER 23 20.350 5.413 7.984 174 HA SER 23 HA SER 23 21.233 7.172 5.994 175 1HB SER 23 HB2 SER 23 22.830 6.125 8.345 176 2HB SER 23 HB1 SER 23 23.159 7.599 7.437 177 HG SER 23 HG SER 23 21.253 7.096 9.379 178 H SER 24 HN SER 24 22.717 4.139 7.129 179 HA SER 24 HA SER 24 24.766 4.076 5.188 180 1HB SER 24 HB2 SER 24 24.491 2.714 7.401 181 2HB SER 24 HB1 SER 24 23.624 1.568 6.380 182 HG SER 24 HG SER 24 25.436 1.092 5.341 183 H TYR 25 HN TYR 25 21.403 3.428 4.961 184 HA TYR 25 HA TYR 25 21.511 1.565 2.791 185 1HB TYR 25 HB2 TYR 25 19.572 2.049 4.480 186 2HB TYR 25 HB1 TYR 25 19.131 3.309 3.335 187 HD1 TYR 25 HD1 TYR 25 19.351 -0.300 3.900 188 HD2 TYR 25 HD2 TYR 25 18.288 2.744 1.123 189 HE1 TYR 25 HE1 TYR 25 18.164 -1.967 2.537 190 HE2 TYR 25 HE2 TYR 25 17.097 1.085 -0.247 191 HH TYR 25 HH TYR 25 17.500 -1.857 -0.340 192 H TRP 26 HN TRP 26 21.153 5.076 3.071 193 HA TRP 26 HA TRP 26 20.563 5.603 0.366 194 1HB TRP 26 HB2 TRP 26 20.233 7.238 2.200 195 2HB TRP 26 HB1 TRP 26 21.978 7.395 2.353 196 HD1 TRP 26 HD1 TRP 26 19.057 8.457 0.154 197 HE1 TRP 26 HE1 TRP 26 19.861 10.276 -1.479 198 HE3 TRP 26 HE3 TRP 26 24.079 8.223 1.083 199 HZ2 TRP 26 HZ2 TRP 26 22.301 11.456 -2.269 200 HZ3 TRP 26 HZ3 TRP 26 25.579 9.729 -0.154 201 HH2 TRP 26 HH2 TRP 26 24.707 11.311 -1.796 202 H GLU 27 HN GLU 27 23.612 5.361 2.119 203 HA GLU 27 HA GLU 27 25.488 6.293 0.407 204 1HB GLU 27 HB2 GLU 27 25.425 4.062 2.351 205 2HB GLU 27 HB1 GLU 27 26.741 4.023 1.185 206 1HG GLU 27 HG2 GLU 27 27.587 5.156 3.052 207 2HG GLU 27 HG1 GLU 27 27.235 6.408 1.863 208 H SER 28 HN SER 28 24.286 2.941 0.335 209 HA SER 28 HA SER 28 25.388 2.539 -2.318 210 1HB SER 28 HB2 SER 28 23.864 0.698 -0.461 211 2HB SER 28 HB1 SER 28 24.488 0.218 -2.039 212 HG SER 28 HG SER 28 25.847 0.743 0.334 213 H ALA 29 HN ALA 29 22.459 3.686 -1.014 214 HA ALA 29 HA ALA 29 20.560 2.610 -2.785 215 1HB ALA 29 HB3 ALA 29 19.915 3.821 -0.778 216 2HB ALA 29 HB1 ALA 29 19.162 4.532 -2.205 217 3HB ALA 29 HB2 ALA 29 20.553 5.317 -1.460 218 H LYS 30 HN LYS 30 22.914 5.160 -3.236 219 HA LYS 30 HA LYS 30 21.835 6.553 -5.364 220 1HB LYS 30 HB2 LYS 30 24.060 6.901 -4.058 221 2HB LYS 30 HB1 LYS 30 24.760 5.887 -5.312 222 1HG LYS 30 HG2 LYS 30 25.038 7.739 -6.497 223 2HG LYS 30 HG1 LYS 30 23.287 7.764 -6.716 224 1HD LYS 30 HD2 LYS 30 24.533 8.959 -4.267 225 2HD LYS 30 HD1 LYS 30 24.478 9.868 -5.778 226 1HE LYS 30 HE2 LYS 30 21.932 9.067 -5.679 227 2HE LYS 30 HE1 LYS 30 22.284 9.071 -3.952 228 1HZ LYS 30 HZ1 LYS 30 23.141 11.396 -4.304 229 2HZ LYS 30 HZ3 LYS 30 22.443 11.345 -5.845 230 3HZ LYS 30 HZ2 LYS 30 21.470 11.200 -4.469 231 H THR 31 HN THR 31 23.929 3.676 -5.565 232 HA THR 31 HA THR 31 24.053 3.359 -8.296 233 HB THR 31 HB THR 31 24.381 0.959 -7.900 234 HG1 THR 31 HG1 THR 31 23.093 0.238 -6.385 235 1HG2 THR 31 2HG2 THR 31 26.184 2.615 -7.250 236 2HG2 THR 31 1HG2 THR 31 25.666 2.359 -5.583 237 3HG2 THR 31 3HG2 THR 31 26.277 1.006 -6.535 238 H ALA 32 HN ALA 32 21.451 2.545 -6.080 239 HA ALA 32 HA ALA 32 19.833 1.096 -7.877 240 1HB ALA 32 HB3 ALA 32 18.615 2.794 -5.745 241 2HB ALA 32 HB2 ALA 32 18.192 1.163 -6.262 242 3HB ALA 32 HB1 ALA 32 19.640 1.432 -5.291 243 H ALA 33 HN ALA 33 20.026 4.568 -7.120 244 HA ALA 33 HA ALA 33 17.852 5.522 -8.524 245 1HB ALA 33 HB1 ALA 33 19.463 6.857 -7.115 246 2HB ALA 33 HB3 ALA 33 20.523 6.905 -8.523 247 3HB ALA 33 HB2 ALA 33 18.922 7.637 -8.601 248 H GLN 34 HN GLN 34 21.150 5.233 -9.855 249 HA GLN 34 HA GLN 34 20.351 5.760 -12.512 250 1HB GLN 34 HB2 GLN 34 22.805 4.827 -11.160 251 2HB GLN 34 HB1 GLN 34 22.633 4.304 -12.830 252 1HG GLN 34 HG2 GLN 34 22.251 7.176 -12.101 253 2HG GLN 34 HG1 GLN 34 23.870 6.508 -12.308 254 1HE2 GLN 34 1HE2 GLN 34 20.856 7.278 -13.887 255 2HE2 GLN 34 2HE2 GLN 34 21.451 7.177 -15.505 256 H ASN 35 HN ASN 35 20.564 2.838 -10.588 257 HA ASN 35 HA ASN 35 20.316 0.961 -12.671 258 1HB ASN 35 HB2 ASN 35 20.203 0.926 -9.773 259 2HB ASN 35 HB1 ASN 35 18.996 -0.151 -10.467 260 1HD2 ASN 35 1HD2 ASN 35 22.307 0.349 -9.808 261 2HD2 ASN 35 2HD2 ASN 35 22.901 -1.117 -10.503 262 H LEU 36 HN LEU 36 17.975 2.960 -11.056 263 HA LEU 36 HA LEU 36 15.605 1.643 -11.734 264 1HB LEU 36 HB2 LEU 36 15.990 3.764 -10.271 265 2HB LEU 36 HB1 LEU 36 15.862 4.640 -11.783 266 HG LEU 36 HG LEU 36 13.673 2.735 -11.176 267 1HD1 LEU 36 3HD1 LEU 36 14.071 3.774 -8.992 268 2HD1 LEU 36 2HD1 LEU 36 13.948 5.369 -9.734 269 3HD1 LEU 36 1HD1 LEU 36 12.545 4.300 -9.700 270 1HD2 LEU 36 1HD2 LEU 36 13.823 5.525 -12.311 271 2HD2 LEU 36 3HD2 LEU 36 13.609 4.023 -13.212 272 3HD2 LEU 36 2HD2 LEU 36 12.338 4.590 -12.128 273 H TYR 37 HN TYR 37 17.565 4.041 -13.395 274 HA TYR 37 HA TYR 37 16.029 4.215 -15.765 275 1HB TYR 37 HB2 TYR 37 18.087 5.649 -14.815 276 2HB TYR 37 HB1 TYR 37 18.974 4.608 -15.925 277 HD1 TYR 37 HD1 TYR 37 16.745 7.435 -15.614 278 HD2 TYR 37 HD2 TYR 37 18.382 4.624 -18.356 279 HE1 TYR 37 HE1 TYR 37 16.085 8.886 -17.486 280 HE2 TYR 37 HE2 TYR 37 17.730 6.068 -20.235 281 HH TYR 37 HH TYR 37 17.211 8.987 -20.224 282 H GLU 38 HN GLU 38 18.598 2.117 -14.674 283 HA GLU 38 HA GLU 38 19.379 0.939 -17.062 284 1HB GLU 38 HB2 GLU 38 19.675 0.345 -14.223 285 2HB GLU 38 HB1 GLU 38 19.626 -1.107 -15.211 286 1HG GLU 38 HG2 GLU 38 21.737 -0.805 -15.776 287 2HG GLU 38 HG1 GLU 38 21.337 0.757 -16.490 288 H LYS 39 HN LYS 39 17.002 -0.306 -14.728 289 HA LYS 39 HA LYS 39 16.194 -2.490 -16.334 290 1HB LYS 39 HB2 LYS 39 14.413 -2.802 -14.733 291 2HB LYS 39 HB1 LYS 39 15.895 -2.397 -13.882 292 1HG LYS 39 HG2 LYS 39 15.121 -0.098 -13.612 293 2HG LYS 39 HG1 LYS 39 13.637 -0.495 -14.480 294 1HD LYS 39 HD2 LYS 39 12.715 -1.150 -12.567 295 2HD LYS 39 HD1 LYS 39 13.942 -2.408 -12.420 296 1HE LYS 39 HE2 LYS 39 14.267 0.436 -11.475 297 2HE LYS 39 HE1 LYS 39 13.814 -0.919 -10.444 298 1HZ LYS 39 HZ2 LYS 39 15.930 -1.985 -11.032 299 2HZ LYS 39 HZ1 LYS 39 16.365 -0.625 -11.938 300 3HZ LYS 39 HZ3 LYS 39 16.162 -0.496 -10.264 301 H THR 40 HN THR 40 15.653 0.767 -16.867 302 HA THR 40 HA THR 40 12.941 0.561 -17.822 303 HB THR 40 HB THR 40 14.967 2.761 -18.273 304 HG1 THR 40 HG1 THR 40 14.604 2.670 -16.113 305 1HG2 THR 40 1HG2 THR 40 11.981 2.724 -18.606 306 2HG2 THR 40 3HG2 THR 40 12.953 4.193 -18.538 307 3HG2 THR 40 2HG2 THR 40 13.200 3.033 -19.842 308 H TYR 41 HN TYR 41 16.119 0.984 -19.320 309 HA TYR 41 HA TYR 41 15.227 0.766 -21.994 310 1HB TYR 41 HB2 TYR 41 17.378 1.796 -21.368 311 2HB TYR 41 HB1 TYR 41 17.979 0.222 -20.858 312 HD1 TYR 41 HD1 TYR 41 16.676 2.040 -23.838 313 HD2 TYR 41 HD2 TYR 41 19.069 -1.164 -22.387 314 HE1 TYR 41 HE1 TYR 41 17.480 1.615 -26.122 315 HE2 TYR 41 HE2 TYR 41 19.880 -1.599 -24.667 316 HH TYR 41 HH TYR 41 19.985 0.242 -26.965 317 H LEU 42 HN LEU 42 16.740 -1.621 -19.813 318 HA LEU 42 HA LEU 42 16.229 -3.743 -21.751 319 1HB LEU 42 HB2 LEU 42 17.633 -3.825 -19.079 320 2HB LEU 42 HB1 LEU 42 17.521 -5.162 -20.208 321 HG LEU 42 HG LEU 42 18.636 -3.266 -21.801 322 1HD1 LEU 42 1HD1 LEU 42 19.623 -2.758 -19.001 323 2HD1 LEU 42 3HD1 LEU 42 20.463 -2.238 -20.462 324 3HD1 LEU 42 2HD1 LEU 42 18.860 -1.605 -20.095 325 1HD2 LEU 42 1HD2 LEU 42 19.369 -5.600 -21.451 326 2HD2 LEU 42 3HD2 LEU 42 20.711 -4.458 -21.504 327 3HD2 LEU 42 2HD2 LEU 42 20.160 -5.100 -19.957 328 HA PRO 43 HA PRO 43 12.667 -5.183 -19.519 329 1HB PRO 43 HB2 PRO 43 12.208 -7.444 -20.851 330 2HB PRO 43 HB1 PRO 43 12.092 -5.876 -21.656 331 1HG PRO 43 HG2 PRO 43 14.269 -7.912 -21.776 332 2HG PRO 43 HG1 PRO 43 13.637 -6.867 -23.059 333 1HD PRO 43 HD2 PRO 43 15.948 -6.405 -21.541 334 2HD PRO 43 HD1 PRO 43 15.107 -5.214 -22.550 335 H ALA 44 HN ALA 44 15.077 -5.673 -18.050 336 HA ALA 44 HA ALA 44 15.418 -8.394 -17.356 337 1HB ALA 44 HB2 ALA 44 16.049 -5.950 -15.706 338 2HB ALA 44 HB1 ALA 44 16.699 -7.573 -15.467 339 3HB ALA 44 HB3 ALA 44 17.106 -6.666 -16.923 340 H VAL 45 HN VAL 45 12.947 -6.174 -16.558 341 HA VAL 45 HA VAL 45 12.184 -6.912 -13.996 342 HB VAL 45 HB VAL 45 11.226 -4.994 -15.239 343 1HG1 VAL 45 3HG1 VAL 45 10.892 -6.286 -17.377 344 2HG1 VAL 45 2HG1 VAL 45 9.455 -6.987 -16.634 345 3HG1 VAL 45 1HG1 VAL 45 9.551 -5.247 -16.895 346 1HG2 VAL 45 1HG2 VAL 45 10.151 -5.989 -13.208 347 2HG2 VAL 45 3HG2 VAL 45 9.050 -5.110 -14.269 348 3HG2 VAL 45 2HG2 VAL 45 9.072 -6.874 -14.286 349 H ASP 46 HN ASP 46 11.491 -8.456 -17.092 350 HA ASP 46 HA ASP 46 9.586 -10.315 -16.098 351 1HB ASP 46 HB2 ASP 46 11.338 -10.540 -18.556 352 2HB ASP 46 HB1 ASP 46 9.877 -11.468 -18.232 353 H GLU 47 HN GLU 47 13.097 -10.370 -16.465 354 HA GLU 47 HA GLU 47 13.427 -13.146 -15.908 355 1HB GLU 47 HB2 GLU 47 15.181 -11.846 -17.006 356 2HB GLU 47 HB1 GLU 47 15.361 -10.842 -15.574 357 1HG GLU 47 HG2 GLU 47 17.129 -12.551 -15.828 358 2HG GLU 47 HG1 GLU 47 16.235 -12.675 -14.314 359 H LYS 48 HN LYS 48 13.459 -10.237 -13.882 360 HA LYS 48 HA LYS 48 14.265 -11.391 -11.471 361 1HB LYS 48 HB2 LYS 48 12.560 -8.994 -12.100 362 2HB LYS 48 HB1 LYS 48 12.913 -9.459 -10.441 363 1HG LYS 48 HG2 LYS 48 14.874 -8.438 -10.537 364 2HG LYS 48 HG1 LYS 48 15.350 -9.413 -11.928 365 1HD LYS 48 HD2 LYS 48 15.378 -7.470 -13.046 366 2HD LYS 48 HD1 LYS 48 13.620 -7.612 -13.049 367 1HE LYS 48 HE2 LYS 48 13.660 -6.382 -10.831 368 2HE LYS 48 HE1 LYS 48 15.355 -6.032 -11.167 369 1HZ LYS 48 HZ3 LYS 48 13.091 -5.284 -12.939 370 2HZ LYS 48 HZ2 LYS 48 13.855 -4.236 -11.854 371 3HZ LYS 48 HZ1 LYS 48 14.718 -4.874 -13.161 372 H LEU 49 HN LEU 49 11.188 -11.555 -13.099 373 HA LEU 49 HA LEU 49 9.551 -12.202 -10.894 374 1HB LEU 49 HB2 LEU 49 9.284 -13.011 -13.796 375 2HB LEU 49 HB1 LEU 49 8.032 -13.207 -12.585 376 HG LEU 49 HG LEU 49 9.168 -10.500 -13.235 377 1HD1 LEU 49 1HD1 LEU 49 8.301 -11.656 -15.294 378 2HD1 LEU 49 3HD1 LEU 49 6.719 -11.688 -14.514 379 3HD1 LEU 49 2HD1 LEU 49 7.495 -10.145 -14.871 380 1HD2 LEU 49 1HD2 LEU 49 6.547 -11.419 -12.058 381 2HD2 LEU 49 3HD2 LEU 49 7.887 -10.688 -11.176 382 3HD2 LEU 49 2HD2 LEU 49 7.001 -9.744 -12.373 383 H ARG 50 HN ARG 50 10.817 -14.382 -13.412 384 HA ARG 50 HA ARG 50 10.349 -16.755 -11.957 385 1HB ARG 50 HB2 ARG 50 12.114 -16.096 -14.310 386 2HB ARG 50 HB1 ARG 50 12.076 -17.709 -13.612 387 1HG ARG 50 HG2 ARG 50 10.587 -17.778 -15.418 388 2HG ARG 50 HG1 ARG 50 9.566 -17.655 -13.984 389 1HD ARG 50 HD2 ARG 50 9.216 -15.312 -14.361 390 2HD ARG 50 HD1 ARG 50 10.395 -15.299 -15.671 391 HE ARG 50 HE ARG 50 8.439 -17.139 -16.364 392 1HH1 ARG 50 1HH1 ARG 50 8.649 -13.698 -15.764 393 2HH1 ARG 50 2HH1 ARG 50 7.344 -13.306 -16.834 394 1HH2 ARG 50 1HH2 ARG 50 6.720 -16.619 -17.773 395 2HH2 ARG 50 2HH2 ARG 50 6.248 -14.965 -17.974 396 H ASP 51 HN ASP 51 13.024 -14.492 -12.062 397 HA ASP 51 HA ASP 51 15.056 -16.019 -10.917 398 1HB ASP 51 HB2 ASP 51 15.383 -13.757 -11.868 399 2HB ASP 51 HB1 ASP 51 14.511 -13.068 -10.504 400 H LEU 52 HN LEU 52 12.842 -13.777 -9.232 401 HA LEU 52 HA LEU 52 13.602 -14.593 -6.634 402 1HB LEU 52 HB2 LEU 52 11.413 -12.962 -7.806 403 2HB LEU 52 HB1 LEU 52 11.167 -13.580 -6.184 404 HG LEU 52 HG LEU 52 13.447 -12.526 -5.632 405 1HD1 LEU 52 2HD1 LEU 52 14.071 -12.154 -8.010 406 2HD1 LEU 52 1HD1 LEU 52 12.806 -10.929 -8.105 407 3HD1 LEU 52 3HD1 LEU 52 14.170 -10.704 -7.010 408 1HD2 LEU 52 3HD2 LEU 52 11.300 -11.678 -4.818 409 2HD2 LEU 52 2HD2 LEU 52 12.416 -10.364 -5.190 410 3HD2 LEU 52 1HD2 LEU 52 11.104 -10.749 -6.304 411 H TYR 53 HN TYR 53 11.378 -15.913 -8.954 412 HA TYR 53 HA TYR 53 9.734 -17.383 -7.174 413 1HB TYR 53 HB2 TYR 53 9.611 -16.845 -9.821 414 2HB TYR 53 HB1 TYR 53 10.214 -18.498 -9.878 415 HD1 TYR 53 HD1 TYR 53 7.339 -16.404 -9.409 416 HD2 TYR 53 HD2 TYR 53 8.880 -20.305 -8.690 417 HE1 TYR 53 HE1 TYR 53 5.051 -17.240 -9.076 418 HE2 TYR 53 HE2 TYR 53 6.596 -21.151 -8.356 419 HH TYR 53 HH TYR 53 4.046 -20.012 -9.349 420 H SER 54 HN SER 54 12.634 -18.277 -9.048 421 HA SER 54 HA SER 54 12.735 -20.970 -8.258 422 1HB SER 54 HB2 SER 54 15.088 -20.918 -8.981 423 2HB SER 54 HB1 SER 54 14.046 -20.103 -10.145 424 HG SER 54 HG SER 54 14.912 -18.213 -9.628 425 H LYS 55 HN LYS 55 14.403 -18.122 -6.902 426 HA LYS 55 HA LYS 55 15.714 -19.477 -4.812 427 1HB LYS 55 HB2 LYS 55 14.915 -16.609 -5.230 428 2HB LYS 55 HB1 LYS 55 15.660 -17.124 -3.723 429 1HG LYS 55 HG2 LYS 55 17.537 -16.523 -4.826 430 2HG LYS 55 HG1 LYS 55 17.421 -18.180 -5.423 431 1HD LYS 55 HD2 LYS 55 16.259 -17.371 -7.422 432 2HD LYS 55 HD1 LYS 55 16.384 -15.715 -6.826 433 1HE LYS 55 HE2 LYS 55 18.639 -15.595 -7.237 434 2HE LYS 55 HE1 LYS 55 18.870 -17.335 -7.075 435 1HZ LYS 55 HZ2 LYS 55 17.467 -16.053 -9.354 436 2HZ LYS 55 HZ1 LYS 55 19.097 -16.501 -9.376 437 3HZ LYS 55 HZ3 LYS 55 17.897 -17.681 -9.211 438 H SER 56 HN SER 56 12.483 -18.113 -5.068 439 HA SER 56 HA SER 56 11.779 -18.145 -2.354 440 1HB SER 56 HB2 SER 56 10.291 -18.040 -4.925 441 2HB SER 56 HB1 SER 56 9.378 -18.457 -3.476 442 HG SER 56 HG SER 56 9.641 -16.489 -2.727 443 H THR 57 HN THR 57 12.202 -20.848 -4.478 444 HA THR 57 HA THR 57 10.286 -22.612 -3.482 445 HB THR 57 HB THR 57 11.791 -24.427 -4.243 446 HG1 THR 57 HG1 THR 57 13.835 -24.031 -4.217 447 1HG2 THR 57 2HG2 THR 57 11.535 -22.097 -6.121 448 2HG2 THR 57 1HG2 THR 57 12.085 -23.700 -6.605 449 3HG2 THR 57 3HG2 THR 57 10.456 -23.483 -5.964 450 H ALA 58 HN ALA 58 13.710 -22.363 -2.478 451 HA ALA 58 HA ALA 58 13.135 -23.891 -0.072 452 1HB ALA 58 HB2 ALA 58 15.180 -24.366 -1.315 453 2HB ALA 58 HB1 ALA 58 15.731 -22.712 -1.052 454 3HB ALA 58 HB3 ALA 58 15.542 -23.806 0.317 455 H ALA 59 HN ALA 59 14.187 -20.615 -0.944 456 HA ALA 59 HA ALA 59 14.589 -19.644 1.658 457 1HB ALA 59 HB3 ALA 59 14.613 -17.454 0.697 458 2HB ALA 59 HB1 ALA 59 13.747 -18.018 -0.732 459 3HB ALA 59 HB2 ALA 59 15.397 -18.563 -0.429 460 H MET 60 HN MET 60 11.783 -19.014 -0.478 461 HA MET 60 HA MET 60 10.243 -17.724 1.476 462 1HB MET 60 HB2 MET 60 9.973 -17.944 -1.147 463 2HB MET 60 HB1 MET 60 8.880 -19.244 -0.694 464 1HG MET 60 HG2 MET 60 7.975 -17.327 0.938 465 2HG MET 60 HG1 MET 60 8.601 -16.326 -0.372 466 1HE MET 60 HE2 MET 60 6.948 -19.612 0.248 467 2HE MET 60 HE1 MET 60 5.378 -18.837 0.463 468 3HE MET 60 HE3 MET 60 5.704 -19.782 -0.991 469 H SER 61 HN SER 61 10.515 -21.159 0.686 470 HA SER 61 HA SER 61 8.235 -22.001 2.145 471 1HB SER 61 HB2 SER 61 9.097 -24.242 1.917 472 2HB SER 61 HB1 SER 61 9.403 -23.375 0.413 473 HG SER 61 HG SER 61 11.292 -24.369 0.903 474 H THR 62 HN THR 62 11.209 -20.794 3.246 475 HA THR 62 HA THR 62 11.027 -22.195 5.811 476 HB THR 62 HB THR 62 13.178 -20.308 4.824 477 HG1 THR 62 HG1 THR 62 13.553 -21.986 3.583 478 1HG2 THR 62 1HG2 THR 62 12.836 -21.867 7.304 479 2HG2 THR 62 3HG2 THR 62 14.438 -21.877 6.566 480 3HG2 THR 62 2HG2 THR 62 13.685 -20.348 7.018 481 H TYR 63 HN TYR 63 11.354 -18.878 4.548 482 HA TYR 63 HA TYR 63 10.831 -17.578 6.981 483 1HB TYR 63 HB2 TYR 63 10.715 -16.678 4.108 484 2HB TYR 63 HB1 TYR 63 10.320 -15.597 5.440 485 HD1 TYR 63 HD1 TYR 63 12.156 -15.481 7.343 486 HD2 TYR 63 HD2 TYR 63 12.895 -16.730 3.342 487 HE1 TYR 63 HE1 TYR 63 14.541 -14.950 7.624 488 HE2 TYR 63 HE2 TYR 63 15.282 -16.205 3.613 489 HH TYR 63 HH TYR 63 16.845 -16.003 6.173 490 H THR 64 HN THR 64 8.745 -19.023 4.600 491 HA THR 64 HA THR 64 6.412 -17.546 5.285 492 HB THR 64 HB THR 64 6.856 -20.142 3.834 493 HG1 THR 64 HG1 THR 64 7.157 -18.477 2.496 494 1HG2 THR 64 2HG2 THR 64 4.210 -18.958 4.607 495 2HG2 THR 64 1HG2 THR 64 4.415 -20.018 3.213 496 3HG2 THR 64 3HG2 THR 64 4.780 -20.610 4.833 497 H GLY 65 HN GLY 65 7.406 -20.863 6.096 498 1HA GLY 65 HA1 GLY 65 6.893 -22.175 7.915 499 2HA GLY 65 HA2 GLY 65 5.375 -21.288 8.012 500 H ILE 66 HN ILE 66 8.662 -20.012 8.248 501 HA ILE 66 HA ILE 66 8.780 -19.822 11.068 502 HB ILE 66 HB ILE 66 10.285 -18.383 8.888 503 1HG1 ILE 66 2HG1 ILE 66 11.269 -20.333 10.975 504 2HG1 ILE 66 1HG1 ILE 66 10.679 -20.839 9.396 505 1HG2 ILE 66 3HG2 ILE 66 10.444 -17.989 11.860 506 2HG2 ILE 66 2HG2 ILE 66 11.825 -17.677 10.810 507 3HG2 ILE 66 1HG2 ILE 66 10.327 -16.774 10.588 508 1HD1 ILE 66 2HD1 ILE 66 12.436 -19.363 8.384 509 2HD1 ILE 66 1HD1 ILE 66 13.090 -19.158 10.008 510 3HD1 ILE 66 3HD1 ILE 66 13.037 -20.761 9.275 511 H PHE 67 HN PHE 67 8.222 -17.279 8.626 512 HA PHE 67 HA PHE 67 7.628 -15.172 10.317 513 1HB PHE 67 HB2 PHE 67 7.876 -14.858 7.912 514 2HB PHE 67 HB1 PHE 67 6.402 -15.773 7.615 515 HD1 PHE 67 HD1 PHE 67 4.283 -14.745 7.722 516 HD2 PHE 67 HD2 PHE 67 7.737 -12.646 9.059 517 HE1 PHE 67 HE1 PHE 67 2.968 -12.670 7.850 518 HE2 PHE 67 HE2 PHE 67 6.427 -10.568 9.190 519 HZ PHE 67 HZ PHE 67 4.039 -10.578 8.586 520 H THR 68 HN THR 68 5.284 -17.417 8.844 521 HA THR 68 HA THR 68 3.045 -16.418 10.224 522 HB THR 68 HB THR 68 3.407 -19.195 9.094 523 HG1 THR 68 HG1 THR 68 2.590 -16.786 7.842 524 1HG2 THR 68 3HG2 THR 68 0.985 -17.594 9.811 525 2HG2 THR 68 2HG2 THR 68 0.925 -18.856 8.581 526 3HG2 THR 68 1HG2 THR 68 1.388 -19.258 10.234 527 H ASP 69 HN ASP 69 5.544 -18.606 11.167 528 HA ASP 69 HA ASP 69 4.246 -20.073 13.170 529 1HB ASP 69 HB2 ASP 69 6.585 -20.479 12.334 530 2HB ASP 69 HB1 ASP 69 7.108 -19.105 13.298 531 H GLN 70 HN GLN 70 6.138 -17.068 13.518 532 HA GLN 70 HA GLN 70 5.402 -16.662 16.235 533 1HB GLN 70 HB2 GLN 70 6.623 -14.832 14.171 534 2HB GLN 70 HB1 GLN 70 6.333 -14.340 15.833 535 1HG GLN 70 HG2 GLN 70 8.505 -14.991 15.985 536 2HG GLN 70 HG1 GLN 70 7.707 -16.514 16.373 537 1HE2 GLN 70 1HE2 GLN 70 8.298 -18.244 15.252 538 2HE2 GLN 70 2HE2 GLN 70 9.157 -18.230 13.753 539 H VAL 71 HN VAL 71 3.907 -15.844 13.218 540 HA VAL 71 HA VAL 71 2.259 -13.716 14.134 541 HB VAL 71 HB VAL 71 1.897 -15.612 11.799 542 1HG1 VAL 71 3HG1 VAL 71 0.313 -13.196 12.634 543 2HG1 VAL 71 2HG1 VAL 71 0.329 -13.791 10.973 544 3HG1 VAL 71 1HG1 VAL 71 -0.270 -14.821 12.272 545 1HG2 VAL 71 1HG2 VAL 71 3.800 -13.724 12.072 546 2HG2 VAL 71 3HG2 VAL 71 3.090 -14.180 10.524 547 3HG2 VAL 71 2HG2 VAL 71 2.500 -12.756 11.379 548 H LEU 72 HN LEU 72 1.647 -17.154 13.515 549 HA LEU 72 HA LEU 72 -0.947 -17.290 14.554 550 1HB LEU 72 HB2 LEU 72 1.097 -19.150 13.698 551 2HB LEU 72 HB1 LEU 72 0.297 -19.743 15.140 552 HG LEU 72 HG LEU 72 -1.897 -19.208 13.827 553 1HD1 LEU 72 2HD1 LEU 72 -0.617 -18.066 11.986 554 2HD1 LEU 72 1HD1 LEU 72 -0.026 -19.659 11.515 555 3HD1 LEU 72 3HD1 LEU 72 -1.753 -19.309 11.463 556 1HD2 LEU 72 1HD2 LEU 72 -1.182 -21.438 14.512 557 2HD2 LEU 72 3HD2 LEU 72 -1.875 -21.464 12.890 558 3HD2 LEU 72 2HD2 LEU 72 -0.126 -21.540 13.102 559 H SER 73 HN SER 73 2.231 -17.457 16.058 560 HA SER 73 HA SER 73 1.447 -18.320 18.605 561 1HB SER 73 HB2 SER 73 3.625 -18.026 19.158 562 2HB SER 73 HB1 SER 73 3.847 -17.659 17.450 563 HG SER 73 HG SER 73 3.943 -15.544 17.899 564 H VAL 74 HN VAL 74 1.476 -15.111 17.173 565 HA VAL 74 HA VAL 74 0.768 -13.734 19.576 566 HB VAL 74 HB VAL 74 0.364 -12.819 16.720 567 1HG1 VAL 74 3HG1 VAL 74 0.274 -11.422 19.370 568 2HG1 VAL 74 2HG1 VAL 74 0.668 -10.545 17.891 569 3HG1 VAL 74 1HG1 VAL 74 -0.885 -11.367 18.041 570 1HG2 VAL 74 2HG2 VAL 74 2.778 -13.282 18.172 571 2HG2 VAL 74 1HG2 VAL 74 2.571 -12.646 16.541 572 3HG2 VAL 74 3HG2 VAL 74 2.585 -11.548 17.920 573 H LEU 75 HN LEU 75 -0.992 -15.671 17.361 574 HA LEU 75 HA LEU 75 -3.539 -14.460 17.541 575 1HB LEU 75 HB2 LEU 75 -2.760 -16.256 15.899 576 2HB LEU 75 HB1 LEU 75 -3.052 -17.407 17.188 577 HG LEU 75 HG LEU 75 -5.440 -16.515 17.251 578 1HD1 LEU 75 1HD1 LEU 75 -4.564 -15.353 14.611 579 2HD1 LEU 75 3HD1 LEU 75 -6.233 -15.481 15.166 580 3HD1 LEU 75 2HD1 LEU 75 -5.092 -14.454 16.033 581 1HD2 LEU 75 1HD2 LEU 75 -4.452 -17.941 14.784 582 2HD2 LEU 75 3HD2 LEU 75 -4.878 -18.687 16.325 583 3HD2 LEU 75 2HD2 LEU 75 -6.123 -17.908 15.348 584 H LYS 76 HN LYS 76 -1.857 -16.833 19.474 585 HA LYS 76 HA LYS 76 -4.055 -17.462 21.180 586 1HB LYS 76 HB2 LYS 76 -1.157 -18.072 21.103 587 2HB LYS 76 HB1 LYS 76 -1.922 -18.149 22.684 588 1HG LYS 76 HG2 LYS 76 -2.036 -20.326 21.827 589 2HG LYS 76 HG1 LYS 76 -3.656 -19.659 21.620 590 1HD LYS 76 HD2 LYS 76 -2.230 -19.002 19.285 591 2HD LYS 76 HD1 LYS 76 -1.843 -20.687 19.642 592 1HE LYS 76 HE2 LYS 76 -3.756 -20.803 18.301 593 2HE LYS 76 HE1 LYS 76 -4.361 -21.013 19.943 594 1HZ LYS 76 HZ1 LYS 76 -4.335 -18.394 18.554 595 2HZ LYS 76 HZ3 LYS 76 -5.657 -19.448 18.511 596 3HZ LYS 76 HZ2 LYS 76 -5.142 -18.797 19.984 597 H GLY 77 HN GLY 77 -1.302 -15.232 21.434 598 1HA GLY 77 HA1 GLY 77 -0.859 -13.516 22.892 599 2HA GLY 77 HA2 GLY 77 -1.827 -14.375 24.080 600 H GLU 78 HN GLU 78 -2.563 -12.793 20.960 601 HA GLU 78 HA GLU 78 -4.175 -10.789 22.277 602 1HB GLU 78 HB2 GLU 78 -3.597 -11.345 19.365 603 2HB GLU 78 HB1 GLU 78 -4.632 -10.034 19.913 604 1HG GLU 78 HG2 GLU 78 -2.614 -9.293 21.312 605 2HG GLU 78 HG1 GLU 78 -1.682 -10.378 20.282 606 H GLU 79 HN GLU 79 -4.937 -12.989 19.565 607 HA GLU 79 HA GLU 79 -6.749 -14.280 19.108 608 1HB GLU 79 HB2 GLU 79 -6.599 -14.570 21.764 609 2HB GLU 79 HB1 GLU 79 -8.130 -13.712 21.681 610 1HG GLU 79 HG2 GLU 79 -8.651 -16.006 21.681 611 2HG GLU 79 HG1 GLU 79 -8.891 -15.445 20.028 No H/Q in entry = 611 Start of MODEL 31 1 H1 THR 1 HT1 THR 1 14.655 2.561 33.780 2 H2 THR 1 HT3 THR 1 13.882 1.557 32.625 3 H3 THR 1 HT2 THR 1 13.149 3.032 33.107 4 HA THR 1 HA THR 1 12.784 2.237 35.272 5 HB THR 1 HB THR 1 11.301 0.268 34.696 6 HG1 THR 1 HG1 THR 1 12.300 -0.731 33.047 7 1HG2 THR 1 1HG2 THR 1 10.574 2.648 34.399 8 2HG2 THR 1 3HG2 THR 1 11.014 2.490 32.699 9 3HG2 THR 1 2HG2 THR 1 9.751 1.465 33.382 10 H GLN 2 HN GLN 2 13.045 0.691 36.903 11 HA GLN 2 HA GLN 2 15.525 -0.624 37.007 12 1HB GLN 2 HB2 GLN 2 14.676 -1.663 39.091 13 2HB GLN 2 HB1 GLN 2 14.425 0.075 39.041 14 1HG GLN 2 HG2 GLN 2 12.119 -0.155 38.692 15 2HG GLN 2 HG1 GLN 2 12.269 -1.855 38.255 16 1HE2 GLN 2 1HE2 GLN 2 12.778 -3.375 39.928 17 2HE2 GLN 2 2HE2 GLN 2 12.352 -3.034 41.567 18 H GLN 3 HN GLN 3 12.307 -1.785 36.159 19 HA GLN 3 HA GLN 3 13.520 -4.322 35.294 20 1HB GLN 3 HB2 GLN 3 10.900 -3.911 36.737 21 2HB GLN 3 HB1 GLN 3 11.290 -5.390 35.872 22 1HG GLN 3 HG2 GLN 3 13.050 -4.303 38.044 23 2HG GLN 3 HG1 GLN 3 11.680 -5.360 38.382 24 1HE2 GLN 3 1HE2 GLN 3 11.778 -7.519 37.794 25 2HE2 GLN 3 2HE2 GLN 3 13.250 -8.283 37.311 26 HA PRO 4 HA PRO 4 11.363 -2.412 31.720 27 1HB PRO 4 HB2 PRO 4 13.297 -2.786 29.906 28 2HB PRO 4 HB1 PRO 4 13.383 -1.477 31.091 29 1HG PRO 4 HG2 PRO 4 14.758 -4.134 31.100 30 2HG PRO 4 HG1 PRO 4 15.401 -2.538 31.530 31 1HD PRO 4 HD2 PRO 4 14.527 -4.406 33.355 32 2HD PRO 4 HD1 PRO 4 14.592 -2.660 33.663 33 H GLN 5 HN GLN 5 10.547 -4.885 32.605 34 HA GLN 5 HA GLN 5 11.070 -6.965 30.713 35 1HB GLN 5 HB2 GLN 5 9.202 -6.583 33.010 36 2HB GLN 5 HB1 GLN 5 8.823 -7.837 31.838 37 1HG GLN 5 HG2 GLN 5 10.048 -9.048 33.316 38 2HG GLN 5 HG1 GLN 5 11.334 -8.508 32.238 39 1HE2 GLN 5 1HE2 GLN 5 12.747 -6.873 32.932 40 2HE2 GLN 5 2HE2 GLN 5 12.911 -6.468 34.603 41 H GLN 6 HN GLN 6 8.407 -4.679 31.235 42 HA GLN 6 HA GLN 6 6.806 -5.597 29.081 43 1HB GLN 6 HB2 GLN 6 5.478 -3.616 29.429 44 2HB GLN 6 HB1 GLN 6 5.939 -4.266 30.995 45 1HG GLN 6 HG2 GLN 6 7.661 -2.156 29.811 46 2HG GLN 6 HG1 GLN 6 6.081 -1.685 30.432 47 1HE2 GLN 6 1HE2 GLN 6 9.284 -2.204 31.205 48 2HE2 GLN 6 2HE2 GLN 6 9.137 -2.265 32.926 49 H ASP 7 HN ASP 7 9.487 -3.369 29.306 50 HA ASP 7 HA ASP 7 9.069 -2.053 26.815 51 1HB ASP 7 HB2 ASP 7 11.521 -2.347 28.560 52 2HB ASP 7 HB1 ASP 7 11.480 -1.367 27.099 53 H GLU 8 HN GLU 8 8.733 -3.626 25.238 54 HA GLU 8 HA GLU 8 10.531 -5.793 24.815 55 1HB GLU 8 HB2 GLU 8 9.337 -5.774 22.468 56 2HB GLU 8 HB1 GLU 8 8.486 -6.308 23.907 57 1HG GLU 8 HG2 GLU 8 6.982 -4.674 23.752 58 2HG GLU 8 HG1 GLU 8 8.208 -3.450 23.433 59 H MET 9 HN MET 9 9.847 -3.186 22.466 60 HA MET 9 HA MET 9 12.366 -3.477 21.193 61 1HB MET 9 HB2 MET 9 10.197 -2.597 20.178 62 2HB MET 9 HB1 MET 9 10.569 -1.070 20.964 63 1HG MET 9 HG2 MET 9 11.717 -0.531 19.151 64 2HG MET 9 HG1 MET 9 12.908 -1.735 19.639 65 1HE MET 9 HE1 MET 9 12.745 -0.684 17.033 66 2HE MET 9 HE3 MET 9 12.554 -1.952 15.823 67 3HE MET 9 HE2 MET 9 11.204 -0.882 16.198 68 HA PRO 10 HA PRO 10 13.203 0.840 23.512 69 1HB PRO 10 HB2 PRO 10 11.889 0.070 26.068 70 2HB PRO 10 HB1 PRO 10 11.994 1.649 25.282 71 1HG PRO 10 HG2 PRO 10 9.728 0.264 25.223 72 2HG PRO 10 HG1 PRO 10 10.272 1.172 23.800 73 1HD PRO 10 HD2 PRO 10 10.389 -1.766 24.336 74 2HD PRO 10 HD1 PRO 10 10.033 -0.909 22.823 75 H SER 11 HN SER 11 13.247 -2.398 24.890 76 HA SER 11 HA SER 11 15.340 -1.869 26.759 77 1HB SER 11 HB2 SER 11 13.881 -4.268 25.820 78 2HB SER 11 HB1 SER 11 15.508 -4.548 26.440 79 HG SER 11 HG SER 11 14.888 -3.946 28.394 80 HA PRO 12 HA PRO 12 18.406 -3.730 23.658 81 1HB PRO 12 HB2 PRO 12 17.629 -5.088 21.493 82 2HB PRO 12 HB1 PRO 12 17.584 -5.825 23.099 83 1HG PRO 12 HG2 PRO 12 15.353 -4.659 21.486 84 2HG PRO 12 HG1 PRO 12 15.371 -6.130 22.474 85 1HD PRO 12 HD2 PRO 12 14.348 -3.697 23.291 86 2HD PRO 12 HD1 PRO 12 14.888 -4.985 24.384 87 H THR 13 HN THR 13 19.523 -2.997 21.759 88 HA THR 13 HA THR 13 18.546 -0.511 20.749 89 HB THR 13 HB THR 13 20.936 -2.098 19.783 90 HG1 THR 13 HG1 THR 13 21.596 -1.733 21.748 91 1HG2 THR 13 1HG2 THR 13 20.273 0.829 19.608 92 2HG2 THR 13 3HG2 THR 13 21.866 0.147 19.282 93 3HG2 THR 13 2HG2 THR 13 20.491 -0.306 18.276 94 H PHE 14 HN PHE 14 16.681 -0.853 19.584 95 HA PHE 14 HA PHE 14 17.012 -2.294 17.035 96 1HB PHE 14 HB2 PHE 14 14.801 -2.404 19.031 97 2HB PHE 14 HB1 PHE 14 14.370 -2.489 17.327 98 HD1 PHE 14 HD1 PHE 14 16.615 -4.048 19.849 99 HD2 PHE 14 HD2 PHE 14 14.441 -4.520 16.222 100 HE1 PHE 14 HE1 PHE 14 17.161 -6.447 19.838 101 HE2 PHE 14 HE2 PHE 14 14.982 -6.919 16.204 102 HZ PHE 14 HZ PHE 14 16.344 -7.886 18.014 103 H LEU 15 HN LEU 15 14.793 0.039 18.600 104 HA LEU 15 HA LEU 15 14.013 1.300 16.207 105 1HB LEU 15 HB2 LEU 15 13.030 1.393 18.653 106 2HB LEU 15 HB1 LEU 15 14.061 2.805 18.787 107 HG LEU 15 HG LEU 15 12.873 3.584 16.609 108 1HD1 LEU 15 2HD1 LEU 15 10.899 1.563 17.664 109 2HD1 LEU 15 1HD1 LEU 15 10.559 2.777 16.430 110 3HD1 LEU 15 3HD1 LEU 15 11.736 1.502 16.112 111 1HD2 LEU 15 3HD2 LEU 15 11.443 3.520 19.263 112 2HD2 LEU 15 2HD2 LEU 15 12.657 4.696 18.761 113 3HD2 LEU 15 1HD2 LEU 15 11.099 4.630 17.937 114 H THR 16 HN THR 16 16.473 2.173 18.622 115 HA THR 16 HA THR 16 17.327 4.576 17.484 116 HB THR 16 HB THR 16 19.074 2.591 18.952 117 HG1 THR 16 HG1 THR 16 17.708 2.906 20.509 118 1HG2 THR 16 3HG2 THR 16 19.219 5.585 18.712 119 2HG2 THR 16 2HG2 THR 16 20.177 4.616 19.833 120 3HG2 THR 16 1HG2 THR 16 20.378 4.409 18.093 121 H GLN 17 HN GLN 17 18.287 1.239 16.798 122 HA GLN 17 HA GLN 17 20.460 1.793 15.104 123 1HB GLN 17 HB2 GLN 17 19.624 -0.460 16.137 124 2HB GLN 17 HB1 GLN 17 18.681 -0.581 14.658 125 1HG GLN 17 HG2 GLN 17 21.653 -0.145 14.661 126 2HG GLN 17 HG1 GLN 17 20.917 -1.746 14.670 127 1HE2 GLN 17 1HE2 GLN 17 22.159 0.623 12.736 128 2HE2 GLN 17 2HE2 GLN 17 21.421 0.180 11.238 129 H VAL 18 HN VAL 18 17.036 1.180 14.350 130 HA VAL 18 HA VAL 18 16.767 1.097 11.729 131 HB VAL 18 HB VAL 18 15.226 3.063 13.430 132 1HG1 VAL 18 1HG1 VAL 18 14.721 1.954 10.683 133 2HG1 VAL 18 3HG1 VAL 18 13.423 2.591 11.693 134 3HG1 VAL 18 2HG1 VAL 18 14.753 3.639 11.201 135 1HG2 VAL 18 3HG2 VAL 18 15.026 0.121 12.979 136 2HG2 VAL 18 2HG2 VAL 18 14.819 1.051 14.462 137 3HG2 VAL 18 1HG2 VAL 18 13.550 1.050 13.240 138 H LYS 19 HN LYS 19 17.276 4.256 13.329 139 HA LYS 19 HA LYS 19 17.333 5.870 11.096 140 1HB LYS 19 HB2 LYS 19 18.854 6.095 13.689 141 2HB LYS 19 HB1 LYS 19 18.872 7.357 12.466 142 1HG LYS 19 HG2 LYS 19 17.059 8.202 13.412 143 2HG LYS 19 HG1 LYS 19 16.174 6.775 12.872 144 1HD LYS 19 HD2 LYS 19 17.036 5.653 15.002 145 2HD LYS 19 HD1 LYS 19 17.477 7.276 15.534 146 1HE LYS 19 HE2 LYS 19 15.324 7.903 15.852 147 2HE LYS 19 HE1 LYS 19 14.731 6.941 14.499 148 1HZ LYS 19 HZ3 LYS 19 15.532 5.870 17.153 149 2HZ LYS 19 HZ2 LYS 19 13.942 6.090 16.621 150 3HZ LYS 19 HZ1 LYS 19 14.939 4.958 15.856 151 H GLU 20 HN GLU 20 20.140 4.305 12.632 152 HA GLU 20 HA GLU 20 22.026 5.168 10.724 153 1HB GLU 20 HB2 GLU 20 22.063 2.811 12.610 154 2HB GLU 20 HB1 GLU 20 23.442 3.302 11.636 155 1HG GLU 20 HG2 GLU 20 23.946 4.344 13.592 156 2HG GLU 20 HG1 GLU 20 23.025 5.621 12.799 157 H SER 21 HN SER 21 19.806 2.493 10.789 158 HA SER 21 HA SER 21 20.999 0.874 8.813 159 1HB SER 21 HB2 SER 21 19.192 -0.470 9.085 160 2HB SER 21 HB1 SER 21 18.840 0.587 10.450 161 HG SER 21 HG SER 21 17.280 1.559 9.322 162 H LEU 22 HN LEU 22 18.726 3.573 8.608 163 HA LEU 22 HA LEU 22 18.284 3.360 5.802 164 1HB LEU 22 HB2 LEU 22 16.855 4.562 7.574 165 2HB LEU 22 HB1 LEU 22 17.990 5.887 7.402 166 HG LEU 22 HG LEU 22 17.375 5.540 4.818 167 1HD1 LEU 22 2HD1 LEU 22 14.926 4.649 6.331 168 2HD1 LEU 22 1HD1 LEU 22 14.946 5.128 4.634 169 3HD1 LEU 22 3HD1 LEU 22 15.850 3.708 5.160 170 1HD2 LEU 22 1HD2 LEU 22 17.212 7.621 6.111 171 2HD2 LEU 22 3HD2 LEU 22 15.822 7.391 5.050 172 3HD2 LEU 22 2HD2 LEU 22 15.674 7.076 6.780 173 H SER 23 HN SER 23 20.564 5.153 7.817 174 HA SER 23 HA SER 23 21.612 6.862 5.867 175 1HB SER 23 HB2 SER 23 23.084 5.636 8.213 176 2HB SER 23 HB1 SER 23 23.562 7.085 7.330 177 HG SER 23 HG SER 23 21.580 6.733 9.234 178 H SER 24 HN SER 24 22.790 3.669 6.927 179 HA SER 24 HA SER 24 24.870 3.483 5.025 180 1HB SER 24 HB2 SER 24 23.360 1.279 6.452 181 2HB SER 24 HB1 SER 24 24.876 1.068 5.574 182 HG SER 24 HG SER 24 24.388 2.299 8.032 183 H TYR 25 HN TYR 25 21.465 3.142 4.714 184 HA TYR 25 HA TYR 25 21.529 1.426 2.399 185 1HB TYR 25 HB2 TYR 25 19.602 1.545 4.022 186 2HB TYR 25 HB1 TYR 25 19.238 3.143 3.378 187 HD1 TYR 25 HD1 TYR 25 18.405 3.391 1.074 188 HD2 TYR 25 HD2 TYR 25 19.070 -0.446 2.785 189 HE1 TYR 25 HE1 TYR 25 17.050 2.371 -0.704 190 HE2 TYR 25 HE2 TYR 25 17.719 -1.478 1.011 191 HH TYR 25 HH TYR 25 17.108 -0.411 -1.695 192 H TRP 26 HN TRP 26 21.098 4.889 3.036 193 HA TRP 26 HA TRP 26 20.590 5.681 0.380 194 1HB TRP 26 HB2 TRP 26 21.206 6.996 2.927 195 2HB TRP 26 HB1 TRP 26 21.808 7.870 1.522 196 HD1 TRP 26 HD1 TRP 26 20.138 9.720 0.972 197 HE1 TRP 26 HE1 TRP 26 17.577 9.909 0.800 198 HE3 TRP 26 HE3 TRP 26 18.866 5.002 2.481 199 HZ2 TRP 26 HZ2 TRP 26 15.318 8.277 1.245 200 HZ3 TRP 26 HZ3 TRP 26 16.485 4.397 2.579 201 HH2 TRP 26 HH2 TRP 26 14.748 6.001 1.975 202 H GLU 27 HN GLU 27 23.570 5.216 2.179 203 HA GLU 27 HA GLU 27 25.505 6.425 0.727 204 1HB GLU 27 HB2 GLU 27 25.365 3.993 2.350 205 2HB GLU 27 HB1 GLU 27 26.640 3.943 1.140 206 1HG GLU 27 HG2 GLU 27 27.664 4.821 3.035 207 2HG GLU 27 HG1 GLU 27 27.339 6.226 2.021 208 H SER 28 HN SER 28 24.349 3.127 0.029 209 HA SER 28 HA SER 28 25.466 3.305 -2.663 210 1HB SER 28 HB2 SER 28 24.310 0.988 -1.102 211 2HB SER 28 HB1 SER 28 24.866 0.866 -2.771 212 HG SER 28 HG SER 28 26.334 1.221 -0.417 213 H ALA 29 HN ALA 29 22.577 4.099 -1.224 214 HA ALA 29 HA ALA 29 20.637 2.979 -2.919 215 1HB ALA 29 HB1 ALA 29 19.997 4.070 -0.868 216 2HB ALA 29 HB2 ALA 29 19.202 4.870 -2.224 217 3HB ALA 29 HB3 ALA 29 20.605 5.616 -1.459 218 H LYS 30 HN LYS 30 22.703 5.813 -3.327 219 HA LYS 30 HA LYS 30 21.429 7.072 -5.435 220 1HB LYS 30 HB2 LYS 30 23.587 7.716 -4.120 221 2HB LYS 30 HB1 LYS 30 24.420 6.842 -5.398 222 1HG LYS 30 HG2 LYS 30 23.512 8.327 -7.067 223 2HG LYS 30 HG1 LYS 30 22.541 9.152 -5.845 224 1HD LYS 30 HD2 LYS 30 24.836 9.566 -4.689 225 2HD LYS 30 HD1 LYS 30 25.500 9.227 -6.288 226 1HE LYS 30 HE2 LYS 30 25.239 11.504 -6.406 227 2HE LYS 30 HE1 LYS 30 23.697 10.961 -7.067 228 1HZ LYS 30 HZ2 LYS 30 22.700 11.276 -4.881 229 2HZ LYS 30 HZ1 LYS 30 24.179 11.815 -4.262 230 3HZ LYS 30 HZ3 LYS 30 23.381 12.717 -5.450 231 H THR 31 HN THR 31 23.901 4.520 -5.660 232 HA THR 31 HA THR 31 24.080 4.245 -8.393 233 HB THR 31 HB THR 31 23.992 1.875 -6.519 234 HG1 THR 31 HG1 THR 31 25.529 2.841 -5.478 235 1HG2 THR 31 3HG2 THR 31 25.608 2.426 -8.996 236 2HG2 THR 31 2HG2 THR 31 25.802 1.025 -7.942 237 3HG2 THR 31 1HG2 THR 31 24.295 1.261 -8.826 238 H ALA 32 HN ALA 32 21.631 3.028 -6.182 239 HA ALA 32 HA ALA 32 20.200 1.433 -8.016 240 1HB ALA 32 HB3 ALA 32 18.784 2.865 -5.813 241 2HB ALA 32 HB2 ALA 32 18.601 1.204 -6.378 242 3HB ALA 32 HB1 ALA 32 20.006 1.658 -5.413 243 H ALA 33 HN ALA 33 19.905 4.861 -7.108 244 HA ALA 33 HA ALA 33 17.609 5.556 -8.456 245 1HB ALA 33 HB1 ALA 33 19.080 7.024 -6.990 246 2HB ALA 33 HB3 ALA 33 20.030 7.334 -8.444 247 3HB ALA 33 HB2 ALA 33 18.329 7.795 -8.386 248 H GLN 34 HN GLN 34 20.902 5.755 -9.815 249 HA GLN 34 HA GLN 34 20.022 6.340 -12.435 250 1HB GLN 34 HB2 GLN 34 22.378 6.620 -11.395 251 2HB GLN 34 HB1 GLN 34 22.613 4.934 -11.832 252 1HG GLN 34 HG2 GLN 34 21.585 6.222 -14.113 253 2HG GLN 34 HG1 GLN 34 22.838 7.271 -13.454 254 1HE2 GLN 34 1HE2 GLN 34 24.964 6.574 -13.430 255 2HE2 GLN 34 2HE2 GLN 34 25.496 5.185 -14.309 256 H ASN 35 HN ASN 35 20.659 3.347 -10.711 257 HA ASN 35 HA ASN 35 20.554 1.592 -12.915 258 1HB ASN 35 HB2 ASN 35 21.304 1.084 -10.509 259 2HB ASN 35 HB1 ASN 35 19.595 0.863 -10.153 260 1HD2 ASN 35 1HD2 ASN 35 18.512 -0.915 -10.973 261 2HD2 ASN 35 2HD2 ASN 35 19.338 -2.256 -11.684 262 H LEU 36 HN LEU 36 18.079 3.171 -11.080 263 HA LEU 36 HA LEU 36 15.845 1.622 -11.721 264 1HB LEU 36 HB2 LEU 36 16.070 3.693 -10.151 265 2HB LEU 36 HB1 LEU 36 15.730 4.624 -11.598 266 HG LEU 36 HG LEU 36 13.849 2.419 -10.951 267 1HD1 LEU 36 3HD1 LEU 36 14.263 3.448 -8.759 268 2HD1 LEU 36 2HD1 LEU 36 13.857 5.026 -9.435 269 3HD1 LEU 36 1HD1 LEU 36 12.629 3.763 -9.345 270 1HD2 LEU 36 1HD2 LEU 36 13.563 3.817 -12.940 271 2HD2 LEU 36 3HD2 LEU 36 12.228 4.026 -11.808 272 3HD2 LEU 36 2HD2 LEU 36 13.488 5.255 -11.920 273 H TYR 37 HN TYR 37 17.404 4.329 -13.335 274 HA TYR 37 HA TYR 37 15.713 4.426 -15.610 275 1HB TYR 37 HB2 TYR 37 17.733 6.002 -14.676 276 2HB TYR 37 HB1 TYR 37 18.548 5.173 -15.997 277 HD1 TYR 37 HD1 TYR 37 16.657 7.983 -15.158 278 HD2 TYR 37 HD2 TYR 37 17.120 5.101 -18.254 279 HE1 TYR 37 HE1 TYR 37 15.634 9.545 -16.757 280 HE2 TYR 37 HE2 TYR 37 16.101 6.657 -19.861 281 HH TYR 37 HH TYR 37 15.911 9.641 -19.670 282 H GLU 38 HN GLU 38 18.620 2.630 -14.783 283 HA GLU 38 HA GLU 38 19.243 1.577 -17.294 284 1HB GLU 38 HB2 GLU 38 19.698 0.387 -14.556 285 2HB GLU 38 HB1 GLU 38 20.394 -0.256 -16.036 286 1HG GLU 38 HG2 GLU 38 21.103 2.169 -14.500 287 2HG GLU 38 HG1 GLU 38 22.135 1.014 -15.336 288 H LYS 39 HN LYS 39 17.249 0.190 -14.730 289 HA LYS 39 HA LYS 39 16.549 -2.186 -15.996 290 1HB LYS 39 HB2 LYS 39 15.938 -0.917 -13.588 291 2HB LYS 39 HB1 LYS 39 14.382 -1.143 -14.374 292 1HG LYS 39 HG2 LYS 39 16.134 -3.492 -14.454 293 2HG LYS 39 HG1 LYS 39 15.638 -2.995 -12.836 294 1HD LYS 39 HD2 LYS 39 13.478 -3.565 -13.182 295 2HD LYS 39 HD1 LYS 39 13.500 -3.033 -14.865 296 1HE LYS 39 HE2 LYS 39 13.446 -5.221 -15.347 297 2HE LYS 39 HE1 LYS 39 15.162 -5.192 -14.946 298 1HZ LYS 39 HZ2 LYS 39 14.550 -5.789 -12.650 299 2HZ LYS 39 HZ1 LYS 39 12.932 -5.926 -13.126 300 3HZ LYS 39 HZ3 LYS 39 14.097 -6.971 -13.772 301 H THR 40 HN THR 40 15.562 1.011 -16.806 302 HA THR 40 HA THR 40 13.018 0.251 -17.926 303 HB THR 40 HB THR 40 12.775 2.467 -18.666 304 HG1 THR 40 HG1 THR 40 15.586 2.777 -18.464 305 1HG2 THR 40 3HG2 THR 40 12.993 2.260 -16.161 306 2HG2 THR 40 2HG2 THR 40 14.624 2.902 -16.349 307 3HG2 THR 40 1HG2 THR 40 13.235 3.867 -16.845 308 H TYR 41 HN TYR 41 16.280 0.709 -19.111 309 HA TYR 41 HA TYR 41 15.726 0.450 -21.874 310 1HB TYR 41 HB2 TYR 41 18.298 -0.277 -20.460 311 2HB TYR 41 HB1 TYR 41 18.106 0.106 -22.165 312 HD1 TYR 41 HD1 TYR 41 19.244 1.359 -19.164 313 HD2 TYR 41 HD2 TYR 41 16.890 2.524 -22.511 314 HE1 TYR 41 HE1 TYR 41 19.733 3.718 -18.679 315 HE2 TYR 41 HE2 TYR 41 17.373 4.886 -22.035 316 HH TYR 41 HH TYR 41 19.734 5.984 -20.383 317 H LEU 42 HN LEU 42 16.961 -1.939 -19.521 318 HA LEU 42 HA LEU 42 16.709 -4.091 -21.432 319 1HB LEU 42 HB2 LEU 42 17.475 -4.100 -18.515 320 2HB LEU 42 HB1 LEU 42 17.525 -5.504 -19.562 321 HG LEU 42 HG LEU 42 19.053 -3.728 -20.971 322 1HD1 LEU 42 3HD1 LEU 42 19.436 -3.184 -18.036 323 2HD1 LEU 42 2HD1 LEU 42 20.662 -2.836 -19.256 324 3HD1 LEU 42 1HD1 LEU 42 19.096 -2.025 -19.322 325 1HD2 LEU 42 2HD2 LEU 42 19.937 -5.691 -18.858 326 2HD2 LEU 42 1HD2 LEU 42 19.602 -6.050 -20.553 327 3HD2 LEU 42 3HD2 LEU 42 20.967 -5.020 -20.123 328 HA PRO 43 HA PRO 43 12.722 -5.472 -20.003 329 1HB PRO 43 HB2 PRO 43 12.488 -7.621 -21.552 330 2HB PRO 43 HB1 PRO 43 12.594 -6.007 -22.264 331 1HG PRO 43 HG2 PRO 43 14.654 -8.147 -22.112 332 2HG PRO 43 HG1 PRO 43 14.387 -6.929 -23.369 333 1HD PRO 43 HD2 PRO 43 16.275 -6.824 -21.247 334 2HD PRO 43 HD1 PRO 43 15.880 -5.531 -22.397 335 H ALA 44 HN ALA 44 15.007 -6.238 -18.282 336 HA ALA 44 HA ALA 44 14.986 -8.997 -17.690 337 1HB ALA 44 HB3 ALA 44 15.852 -6.590 -16.119 338 2HB ALA 44 HB2 ALA 44 15.997 -8.232 -15.493 339 3HB ALA 44 HB1 ALA 44 16.853 -7.770 -16.964 340 H VAL 45 HN VAL 45 12.692 -6.574 -17.005 341 HA VAL 45 HA VAL 45 11.612 -7.035 -14.583 342 HB VAL 45 HB VAL 45 9.341 -6.608 -15.600 343 1HG1 VAL 45 1HG1 VAL 45 10.853 -4.829 -14.799 344 2HG1 VAL 45 3HG1 VAL 45 11.530 -4.704 -16.422 345 3HG1 VAL 45 2HG1 VAL 45 9.835 -4.307 -16.140 346 1HG2 VAL 45 2HG2 VAL 45 10.966 -6.843 -18.100 347 2HG2 VAL 45 1HG2 VAL 45 9.353 -7.461 -17.748 348 3HG2 VAL 45 3HG2 VAL 45 9.592 -5.740 -18.045 349 H ASP 46 HN ASP 46 10.999 -9.046 -17.453 350 HA ASP 46 HA ASP 46 9.331 -10.864 -15.960 351 1HB ASP 46 HB2 ASP 46 10.464 -11.368 -18.708 352 2HB ASP 46 HB1 ASP 46 8.992 -12.025 -17.998 353 H GLU 47 HN GLU 47 12.678 -10.815 -17.117 354 HA GLU 47 HA GLU 47 13.229 -13.556 -16.586 355 1HB GLU 47 HB2 GLU 47 15.019 -11.144 -16.881 356 2HB GLU 47 HB1 GLU 47 15.648 -12.762 -16.611 357 1HG GLU 47 HG2 GLU 47 15.757 -12.699 -18.873 358 2HG GLU 47 HG1 GLU 47 14.119 -13.322 -18.689 359 H LYS 48 HN LYS 48 14.155 -10.630 -14.764 360 HA LYS 48 HA LYS 48 15.237 -11.925 -12.541 361 1HB LYS 48 HB2 LYS 48 14.929 -9.317 -13.322 362 2HB LYS 48 HB1 LYS 48 13.830 -9.410 -11.952 363 1HG LYS 48 HG2 LYS 48 15.554 -9.974 -10.465 364 2HG LYS 48 HG1 LYS 48 16.669 -10.367 -11.776 365 1HD LYS 48 HD2 LYS 48 15.574 -7.600 -11.612 366 2HD LYS 48 HD1 LYS 48 16.833 -8.079 -10.472 367 1HE LYS 48 HE2 LYS 48 18.426 -8.236 -12.086 368 2HE LYS 48 HE1 LYS 48 17.278 -8.743 -13.324 369 1HZ LYS 48 HZ3 LYS 48 17.418 -5.975 -12.265 370 2HZ LYS 48 HZ2 LYS 48 18.246 -6.487 -13.648 371 3HZ LYS 48 HZ1 LYS 48 16.556 -6.518 -13.616 372 H LEU 49 HN LEU 49 11.923 -11.478 -13.463 373 HA LEU 49 HA LEU 49 10.696 -11.689 -10.933 374 1HB LEU 49 HB2 LEU 49 9.840 -11.402 -13.576 375 2HB LEU 49 HB1 LEU 49 9.170 -12.940 -13.070 376 HG LEU 49 HG LEU 49 8.071 -11.847 -11.166 377 1HD1 LEU 49 2HD1 LEU 49 9.231 -9.313 -12.315 378 2HD1 LEU 49 1HD1 LEU 49 8.022 -9.393 -11.033 379 3HD1 LEU 49 3HD1 LEU 49 9.638 -10.045 -10.764 380 1HD2 LEU 49 3HD2 LEU 49 7.138 -11.959 -13.597 381 2HD2 LEU 49 2HD2 LEU 49 6.302 -11.000 -12.376 382 3HD2 LEU 49 1HD2 LEU 49 7.348 -10.208 -13.555 383 H ARG 50 HN ARG 50 10.934 -14.193 -13.476 384 HA ARG 50 HA ARG 50 10.337 -16.342 -11.738 385 1HB ARG 50 HB2 ARG 50 11.146 -16.003 -14.522 386 2HB ARG 50 HB1 ARG 50 11.861 -17.433 -13.791 387 1HG ARG 50 HG2 ARG 50 9.868 -18.188 -14.733 388 2HG ARG 50 HG1 ARG 50 9.503 -18.013 -13.016 389 1HD ARG 50 HD2 ARG 50 8.961 -15.781 -14.943 390 2HD ARG 50 HD1 ARG 50 7.816 -17.108 -14.753 391 HE ARG 50 HE ARG 50 8.323 -16.234 -12.204 392 1HH1 ARG 50 1HH1 ARG 50 7.103 -14.768 -15.140 393 2HH1 ARG 50 2HH1 ARG 50 6.129 -13.610 -14.301 394 1HH2 ARG 50 1HH2 ARG 50 7.042 -14.706 -11.106 395 2HH2 ARG 50 2HH2 ARG 50 6.094 -13.573 -12.009 396 H ASP 51 HN ASP 51 13.307 -14.702 -12.619 397 HA ASP 51 HA ASP 51 15.210 -16.547 -11.759 398 1HB ASP 51 HB2 ASP 51 15.810 -14.525 -12.994 399 2HB ASP 51 HB1 ASP 51 15.303 -13.524 -11.638 400 H LEU 52 HN LEU 52 13.826 -13.833 -9.908 401 HA LEU 52 HA LEU 52 14.971 -14.774 -7.446 402 1HB LEU 52 HB2 LEU 52 12.956 -12.592 -7.980 403 2HB LEU 52 HB1 LEU 52 13.718 -12.896 -6.431 404 HG LEU 52 HG LEU 52 15.376 -12.294 -8.863 405 1HD1 LEU 52 1HD1 LEU 52 14.116 -10.290 -6.997 406 2HD1 LEU 52 3HD1 LEU 52 15.368 -9.932 -8.185 407 3HD1 LEU 52 2HD1 LEU 52 13.780 -10.480 -8.718 408 1HD2 LEU 52 1HD2 LEU 52 16.497 -13.184 -6.879 409 2HD2 LEU 52 3HD2 LEU 52 16.973 -11.516 -7.195 410 3HD2 LEU 52 2HD2 LEU 52 15.823 -11.876 -5.908 411 H TYR 53 HN TYR 53 12.104 -15.478 -9.175 412 HA TYR 53 HA TYR 53 10.354 -16.005 -7.008 413 1HB TYR 53 HB2 TYR 53 10.323 -16.315 -9.889 414 2HB TYR 53 HB1 TYR 53 9.627 -17.725 -9.101 415 HD1 TYR 53 HD1 TYR 53 7.330 -17.651 -9.020 416 HD2 TYR 53 HD2 TYR 53 9.498 -14.025 -8.516 417 HE1 TYR 53 HE1 TYR 53 5.215 -16.437 -8.710 418 HE2 TYR 53 HE2 TYR 53 7.390 -12.801 -8.204 419 HH TYR 53 HH TYR 53 4.765 -13.844 -7.332 420 H SER 54 HN SER 54 12.479 -18.118 -8.937 421 HA SER 54 HA SER 54 11.852 -20.524 -7.631 422 1HB SER 54 HB2 SER 54 14.438 -19.717 -8.989 423 2HB SER 54 HB1 SER 54 13.981 -21.367 -8.565 424 HG SER 54 HG SER 54 13.065 -19.734 -10.614 425 H LYS 55 HN LYS 55 14.537 -18.244 -7.075 426 HA LYS 55 HA LYS 55 15.691 -19.608 -4.903 427 1HB LYS 55 HB2 LYS 55 15.740 -16.690 -5.677 428 2HB LYS 55 HB1 LYS 55 16.688 -17.348 -4.351 429 1HG LYS 55 HG2 LYS 55 17.945 -18.728 -5.837 430 2HG LYS 55 HG1 LYS 55 16.887 -18.321 -7.191 431 1HD LYS 55 HD2 LYS 55 17.599 -15.886 -6.729 432 2HD LYS 55 HD1 LYS 55 18.913 -16.603 -5.796 433 1HE LYS 55 HE2 LYS 55 19.827 -16.284 -7.924 434 2HE LYS 55 HE1 LYS 55 19.396 -17.993 -7.890 435 1HZ LYS 55 HZ2 LYS 55 17.594 -15.929 -9.014 436 2HZ LYS 55 HZ1 LYS 55 18.764 -16.711 -9.950 437 3HZ LYS 55 HZ3 LYS 55 17.523 -17.605 -9.227 438 H SER 56 HN SER 56 13.241 -17.041 -5.015 439 HA SER 56 HA SER 56 13.018 -16.628 -2.244 440 1HB SER 56 HB2 SER 56 12.115 -15.072 -3.939 441 2HB SER 56 HB1 SER 56 10.877 -16.258 -4.352 442 HG SER 56 HG SER 56 11.146 -14.677 -2.057 443 H THR 57 HN THR 57 11.083 -18.741 -4.398 444 HA THR 57 HA THR 57 9.302 -19.684 -2.471 445 HB THR 57 HB THR 57 10.368 -21.139 -4.900 446 HG1 THR 57 HG1 THR 57 9.339 -19.567 -5.841 447 1HG2 THR 57 2HG2 THR 57 7.911 -21.624 -3.243 448 2HG2 THR 57 1HG2 THR 57 8.127 -22.245 -4.879 449 3HG2 THR 57 3HG2 THR 57 9.223 -22.748 -3.592 450 H ALA 58 HN ALA 58 12.542 -20.835 -3.328 451 HA ALA 58 HA ALA 58 12.516 -23.213 -1.828 452 1HB ALA 58 HB2 ALA 58 14.980 -23.076 -1.934 453 2HB ALA 58 HB1 ALA 58 14.215 -22.808 -3.499 454 3HB ALA 58 HB3 ALA 58 14.839 -21.440 -2.578 455 H ALA 59 HN ALA 59 14.004 -20.072 -0.969 456 HA ALA 59 HA ALA 59 14.590 -20.756 1.697 457 1HB ALA 59 HB1 ALA 59 14.054 -17.940 0.818 458 2HB ALA 59 HB2 ALA 59 15.490 -18.812 0.283 459 3HB ALA 59 HB3 ALA 59 15.220 -18.532 2.002 460 H MET 60 HN MET 60 11.805 -19.072 0.275 461 HA MET 60 HA MET 60 10.498 -18.413 2.666 462 1HB MET 60 HB2 MET 60 10.041 -17.631 0.241 463 2HB MET 60 HB1 MET 60 9.005 -19.049 0.141 464 1HG MET 60 HG2 MET 60 8.128 -17.954 2.449 465 2HG MET 60 HG1 MET 60 8.616 -16.510 1.564 466 1HE MET 60 HE2 MET 60 5.860 -17.098 2.656 467 2HE MET 60 HE1 MET 60 5.780 -15.715 1.564 468 3HE MET 60 HE3 MET 60 4.635 -17.044 1.388 469 H SER 61 HN SER 61 10.927 -21.509 1.264 470 HA SER 61 HA SER 61 8.501 -22.732 2.062 471 1HB SER 61 HB2 SER 61 10.334 -23.606 0.444 472 2HB SER 61 HB1 SER 61 11.107 -24.223 1.904 473 HG SER 61 HG SER 61 8.763 -25.032 0.647 474 H THR 62 HN THR 62 11.257 -21.720 3.846 475 HA THR 62 HA THR 62 10.522 -23.388 6.145 476 HB THR 62 HB THR 62 12.688 -22.605 7.115 477 HG1 THR 62 HG1 THR 62 13.396 -20.850 6.193 478 1HG2 THR 62 3HG2 THR 62 12.603 -24.714 5.841 479 2HG2 THR 62 2HG2 THR 62 13.048 -23.818 4.388 480 3HG2 THR 62 1HG2 THR 62 14.167 -23.903 5.749 481 H TYR 63 HN TYR 63 11.236 -20.013 5.273 482 HA TYR 63 HA TYR 63 10.499 -18.877 7.731 483 1HB TYR 63 HB2 TYR 63 10.422 -17.527 5.029 484 2HB TYR 63 HB1 TYR 63 10.588 -16.753 6.601 485 HD1 TYR 63 HD1 TYR 63 12.355 -17.326 3.795 486 HD2 TYR 63 HD2 TYR 63 12.673 -18.099 7.967 487 HE1 TYR 63 HE1 TYR 63 14.800 -17.443 3.581 488 HE2 TYR 63 HE2 TYR 63 15.120 -18.218 7.764 489 HH TYR 63 HH TYR 63 16.740 -18.808 5.343 490 H THR 64 HN THR 64 8.580 -20.243 5.240 491 HA THR 64 HA THR 64 6.301 -18.567 5.558 492 HB THR 64 HB THR 64 6.805 -21.222 4.285 493 HG1 THR 64 HG1 THR 64 6.833 -19.888 2.684 494 1HG2 THR 64 3HG2 THR 64 4.076 -20.198 4.989 495 2HG2 THR 64 2HG2 THR 64 4.364 -21.254 3.606 496 3HG2 THR 64 1HG2 THR 64 4.747 -21.812 5.234 497 H GLY 65 HN GLY 65 6.950 -21.870 6.714 498 1HA GLY 65 HA1 GLY 65 6.129 -22.999 8.547 499 2HA GLY 65 HA2 GLY 65 4.748 -21.907 8.510 500 H ILE 66 HN ILE 66 8.132 -20.970 8.795 501 HA ILE 66 HA ILE 66 8.222 -20.671 11.606 502 HB ILE 66 HB ILE 66 9.866 -19.380 9.426 503 1HG1 ILE 66 2HG1 ILE 66 10.749 -21.430 11.448 504 2HG1 ILE 66 1HG1 ILE 66 9.974 -21.905 9.943 505 1HG2 ILE 66 3HG2 ILE 66 10.116 -19.146 12.415 506 2HG2 ILE 66 2HG2 ILE 66 11.462 -18.838 11.317 507 3HG2 ILE 66 1HG2 ILE 66 10.003 -17.851 11.222 508 1HD1 ILE 66 1HD1 ILE 66 11.837 -20.373 8.894 509 2HD1 ILE 66 3HD1 ILE 66 12.660 -20.740 10.410 510 3HD1 ILE 66 2HD1 ILE 66 12.160 -22.048 9.338 511 H PHE 67 HN PHE 67 7.896 -18.208 9.043 512 HA PHE 67 HA PHE 67 7.471 -15.978 10.619 513 1HB PHE 67 HB2 PHE 67 7.756 -15.829 8.197 514 2HB PHE 67 HB1 PHE 67 6.197 -16.607 7.946 515 HD1 PHE 67 HD1 PHE 67 7.855 -13.549 9.170 516 HD2 PHE 67 HD2 PHE 67 4.179 -15.375 8.044 517 HE1 PHE 67 HE1 PHE 67 6.760 -11.346 9.185 518 HE2 PHE 67 HE2 PHE 67 3.078 -13.176 8.056 519 HZ PHE 67 HZ PHE 67 4.369 -11.157 8.627 520 H THR 68 HN THR 68 4.959 -18.105 9.249 521 HA THR 68 HA THR 68 2.802 -16.851 10.553 522 HB THR 68 HB THR 68 1.528 -18.914 9.983 523 HG1 THR 68 HG1 THR 68 2.881 -20.575 10.062 524 1HG2 THR 68 3HG2 THR 68 3.253 -17.884 7.744 525 2HG2 THR 68 2HG2 THR 68 1.764 -18.812 7.560 526 3HG2 THR 68 1HG2 THR 68 1.717 -17.202 8.281 527 H ASP 69 HN ASP 69 5.116 -19.162 11.645 528 HA ASP 69 HA ASP 69 3.695 -20.415 13.706 529 1HB ASP 69 HB2 ASP 69 5.996 -21.052 12.931 530 2HB ASP 69 HB1 ASP 69 6.622 -19.656 13.800 531 H GLN 70 HN GLN 70 5.793 -17.539 13.911 532 HA GLN 70 HA GLN 70 5.070 -16.930 16.593 533 1HB GLN 70 HB2 GLN 70 6.416 -15.296 14.441 534 2HB GLN 70 HB1 GLN 70 6.168 -14.711 16.080 535 1HG GLN 70 HG2 GLN 70 8.295 -15.503 16.247 536 2HG GLN 70 HG1 GLN 70 7.392 -16.940 16.722 537 1HE2 GLN 70 1HE2 GLN 70 7.963 -18.757 15.758 538 2HE2 GLN 70 2HE2 GLN 70 8.759 -18.892 14.231 539 H VAL 71 HN VAL 71 3.685 -16.154 13.507 540 HA VAL 71 HA VAL 71 2.164 -13.885 14.294 541 HB VAL 71 HB VAL 71 1.721 -15.849 12.030 542 1HG1 VAL 71 3HG1 VAL 71 0.305 -13.289 12.722 543 2HG1 VAL 71 2HG1 VAL 71 0.313 -13.955 11.089 544 3HG1 VAL 71 1HG1 VAL 71 -0.391 -14.880 12.415 545 1HG2 VAL 71 3HG2 VAL 71 3.767 -14.138 12.253 546 2HG2 VAL 71 2HG2 VAL 71 3.014 -14.535 10.708 547 3HG2 VAL 71 1HG2 VAL 71 2.566 -13.053 11.553 548 H LEU 72 HN LEU 72 1.347 -17.303 13.816 549 HA LEU 72 HA LEU 72 -1.279 -17.228 14.780 550 1HB LEU 72 HB2 LEU 72 -0.072 -19.134 13.567 551 2HB LEU 72 HB1 LEU 72 0.602 -19.559 15.129 552 HG LEU 72 HG LEU 72 -1.857 -19.669 15.925 553 1HD1 LEU 72 1HD1 LEU 72 -2.836 -18.608 13.955 554 2HD1 LEU 72 3HD1 LEU 72 -2.248 -19.930 12.947 555 3HD1 LEU 72 2HD1 LEU 72 -3.464 -20.239 14.187 556 1HD2 LEU 72 3HD2 LEU 72 -0.389 -21.606 15.715 557 2HD2 LEU 72 2HD2 LEU 72 -2.028 -21.994 15.195 558 3HD2 LEU 72 1HD2 LEU 72 -0.764 -21.715 13.996 559 H SER 73 HN SER 73 1.844 -17.496 16.375 560 HA SER 73 HA SER 73 0.969 -18.171 18.950 561 1HB SER 73 HB2 SER 73 3.389 -17.995 18.004 562 2HB SER 73 HB1 SER 73 3.291 -16.312 18.518 563 HG SER 73 HG SER 73 4.146 -17.510 20.194 564 H VAL 74 HN VAL 74 1.222 -15.051 17.345 565 HA VAL 74 HA VAL 74 0.531 -13.506 19.649 566 HB VAL 74 HB VAL 74 0.267 -12.730 16.736 567 1HG1 VAL 74 2HG1 VAL 74 0.170 -11.182 19.300 568 2HG1 VAL 74 1HG1 VAL 74 0.659 -10.413 17.791 569 3HG1 VAL 74 3HG1 VAL 74 -0.941 -11.139 17.931 570 1HG2 VAL 74 2HG2 VAL 74 2.604 -13.199 18.340 571 2HG2 VAL 74 1HG2 VAL 74 2.487 -12.746 16.639 572 3HG2 VAL 74 3HG2 VAL 74 2.512 -11.497 17.885 573 H LEU 75 HN LEU 75 -1.274 -15.461 17.489 574 HA LEU 75 HA LEU 75 -3.750 -14.100 17.509 575 1HB LEU 75 HB2 LEU 75 -2.905 -16.143 16.093 576 2HB LEU 75 HB1 LEU 75 -3.598 -17.082 17.401 577 HG LEU 75 HG LEU 75 -5.779 -15.921 16.988 578 1HD1 LEU 75 2HD1 LEU 75 -4.260 -14.830 14.628 579 2HD1 LEU 75 1HD1 LEU 75 -6.020 -14.850 14.737 580 3HD1 LEU 75 3HD1 LEU 75 -5.076 -13.922 15.901 581 1HD2 LEU 75 2HD2 LEU 75 -5.239 -18.164 16.093 582 2HD2 LEU 75 1HD2 LEU 75 -6.360 -17.262 15.073 583 3HD2 LEU 75 3HD2 LEU 75 -4.663 -17.402 14.610 584 H LYS 76 HN LYS 76 -2.277 -16.447 19.630 585 HA LYS 76 HA LYS 76 -4.555 -16.846 21.301 586 1HB LYS 76 HB2 LYS 76 -1.622 -17.351 21.844 587 2HB LYS 76 HB1 LYS 76 -2.946 -17.914 22.854 588 1HG LYS 76 HG2 LYS 76 -3.446 -19.615 21.478 589 2HG LYS 76 HG1 LYS 76 -3.141 -18.667 20.021 590 1HD LYS 76 HD2 LYS 76 -0.686 -18.880 20.518 591 2HD LYS 76 HD1 LYS 76 -1.114 -20.026 21.791 592 1HE LYS 76 HE2 LYS 76 -2.447 -21.189 19.849 593 2HE LYS 76 HE1 LYS 76 -1.313 -20.307 18.828 594 1HZ LYS 76 HZ1 LYS 76 0.514 -21.349 20.034 595 2HZ LYS 76 HZ3 LYS 76 -0.586 -22.211 20.990 596 3HZ LYS 76 HZ2 LYS 76 -0.490 -22.512 19.329 597 H GLY 77 HN GLY 77 -1.719 -14.725 21.444 598 1HA GLY 77 HA1 GLY 77 -1.200 -12.957 22.816 599 2HA GLY 77 HA2 GLY 77 -2.221 -13.694 24.040 600 H GLU 78 HN GLU 78 -2.314 -11.704 21.103 601 HA GLU 78 HA GLU 78 -4.923 -10.637 21.928 602 1HB GLU 78 HB2 GLU 78 -2.401 -9.053 21.479 603 2HB GLU 78 HB1 GLU 78 -3.993 -8.320 21.341 604 1HG GLU 78 HG2 GLU 78 -4.314 -9.401 23.724 605 2HG GLU 78 HG1 GLU 78 -2.554 -9.308 23.743 606 H GLU 79 HN GLU 79 -4.255 -12.442 19.773 607 HA GLU 79 HA GLU 79 -4.893 -12.794 17.627 608 1HB GLU 79 HB2 GLU 79 -6.262 -10.340 18.304 609 2HB GLU 79 HB1 GLU 79 -5.773 -10.328 16.616 610 1HG GLU 79 HG2 GLU 79 -8.055 -11.227 17.046 611 2HG GLU 79 HG1 GLU 79 -6.986 -12.314 16.162 No H/Q in entry = 611 Start of MODEL 32 1 H1 THR 1 HT3 THR 1 11.049 -0.998 36.041 2 H2 THR 1 HT2 THR 1 9.731 -0.691 34.986 3 H3 THR 1 HT1 THR 1 9.441 -1.158 36.611 4 HA THR 1 HA THR 1 9.042 -2.989 35.218 5 HB THR 1 HB THR 1 10.470 -2.097 33.358 6 HG1 THR 1 HG1 THR 1 9.950 -4.085 32.854 7 1HG2 THR 1 3HG2 THR 1 12.514 -1.685 34.742 8 2HG2 THR 1 2HG2 THR 1 12.771 -3.430 34.757 9 3HG2 THR 1 1HG2 THR 1 12.789 -2.548 33.230 10 H GLN 2 HN GLN 2 9.668 -5.162 35.758 11 HA GLN 2 HA GLN 2 10.682 -5.413 38.396 12 1HB GLN 2 HB2 GLN 2 8.986 -6.934 37.446 13 2HB GLN 2 HB1 GLN 2 10.184 -7.564 36.327 14 1HG GLN 2 HG2 GLN 2 11.049 -7.705 39.100 15 2HG GLN 2 HG1 GLN 2 9.560 -8.596 38.794 16 1HE2 GLN 2 1HE2 GLN 2 12.894 -8.710 38.685 17 2HE2 GLN 2 2HE2 GLN 2 13.078 -10.113 37.694 18 H GLN 3 HN GLN 3 12.026 -6.216 35.205 19 HA GLN 3 HA GLN 3 14.710 -5.915 36.227 20 1HB GLN 3 HB2 GLN 3 13.525 -8.533 35.936 21 2HB GLN 3 HB1 GLN 3 14.886 -8.354 34.839 22 1HG GLN 3 HG2 GLN 3 16.195 -7.522 36.857 23 2HG GLN 3 HG1 GLN 3 14.862 -8.145 37.828 24 1HE2 GLN 3 1HE2 GLN 3 17.645 -8.917 35.968 25 2HE2 GLN 3 2HE2 GLN 3 17.631 -10.622 36.249 26 HA PRO 4 HA PRO 4 15.248 -4.740 31.977 27 1HB PRO 4 HB2 PRO 4 17.866 -4.261 31.970 28 2HB PRO 4 HB1 PRO 4 16.776 -3.314 32.989 29 1HG PRO 4 HG2 PRO 4 18.637 -5.517 33.739 30 2HG PRO 4 HG1 PRO 4 18.198 -4.060 34.645 31 1HD PRO 4 HD2 PRO 4 17.121 -6.641 34.993 32 2HD PRO 4 HD1 PRO 4 16.486 -5.132 35.676 33 H GLN 5 HN GLN 5 15.318 -7.718 32.530 34 HA GLN 5 HA GLN 5 17.469 -8.826 31.017 35 1HB GLN 5 HB2 GLN 5 14.816 -10.094 31.722 36 2HB GLN 5 HB1 GLN 5 16.267 -10.936 31.202 37 1HG GLN 5 HG2 GLN 5 17.374 -10.516 33.219 38 2HG GLN 5 HG1 GLN 5 16.231 -9.257 33.684 39 1HE2 GLN 5 1HE2 GLN 5 17.040 -12.526 33.929 40 2HE2 GLN 5 2HE2 GLN 5 15.609 -13.075 34.726 41 H GLN 6 HN GLN 6 16.969 -10.314 29.107 42 HA GLN 6 HA GLN 6 15.956 -8.737 26.972 43 1HB GLN 6 HB2 GLN 6 16.992 -11.535 27.229 44 2HB GLN 6 HB1 GLN 6 16.163 -11.062 25.753 45 1HG GLN 6 HG2 GLN 6 18.406 -10.704 25.280 46 2HG GLN 6 HG1 GLN 6 17.794 -9.099 25.677 47 1HE2 GLN 6 1HE2 GLN 6 18.457 -8.099 27.572 48 2HE2 GLN 6 2HE2 GLN 6 19.791 -8.675 28.505 49 H ASP 7 HN ASP 7 14.666 -11.447 28.833 50 HA ASP 7 HA ASP 7 12.327 -11.803 27.245 51 1HB ASP 7 HB2 ASP 7 11.549 -13.253 29.037 52 2HB ASP 7 HB1 ASP 7 13.249 -13.579 28.713 53 H GLU 8 HN GLU 8 13.153 -9.826 30.011 54 HA GLU 8 HA GLU 8 10.501 -9.055 30.695 55 1HB GLU 8 HB2 GLU 8 13.057 -7.541 31.251 56 2HB GLU 8 HB1 GLU 8 11.530 -7.383 32.106 57 1HG GLU 8 HG2 GLU 8 12.824 -10.054 32.050 58 2HG GLU 8 HG1 GLU 8 13.540 -8.801 33.063 59 H MET 9 HN MET 9 13.122 -7.323 28.995 60 HA MET 9 HA MET 9 11.487 -5.129 28.229 61 1HB MET 9 HB2 MET 9 14.120 -6.080 27.084 62 2HB MET 9 HB1 MET 9 13.370 -4.527 26.741 63 1HG MET 9 HG2 MET 9 14.334 -5.474 29.431 64 2HG MET 9 HG1 MET 9 15.145 -4.312 28.384 65 1HE MET 9 HE2 MET 9 12.561 -5.266 30.701 66 2HE MET 9 HE1 MET 9 13.102 -3.955 31.749 67 3HE MET 9 HE3 MET 9 11.508 -3.882 30.996 68 HA PRO 10 HA PRO 10 9.349 -7.357 24.956 69 1HB PRO 10 HB2 PRO 10 8.163 -4.718 24.400 70 2HB PRO 10 HB1 PRO 10 7.373 -6.233 24.842 71 1HG PRO 10 HG2 PRO 10 7.536 -4.174 26.558 72 2HG PRO 10 HG1 PRO 10 7.623 -5.859 27.106 73 1HD PRO 10 HD2 PRO 10 9.836 -3.879 26.699 74 2HD PRO 10 HD1 PRO 10 9.603 -5.056 28.009 75 H SER 11 HN SER 11 10.108 -3.945 24.169 76 HA SER 11 HA SER 11 10.715 -4.572 21.450 77 1HB SER 11 HB2 SER 11 9.823 -2.352 22.347 78 2HB SER 11 HB1 SER 11 11.473 -2.018 22.870 79 HG SER 11 HG SER 11 12.110 -1.850 20.821 80 HA PRO 12 HA PRO 12 14.973 -5.679 22.395 81 1HB PRO 12 HB2 PRO 12 15.537 -6.851 20.054 82 2HB PRO 12 HB1 PRO 12 14.474 -7.623 21.238 83 1HG PRO 12 HG2 PRO 12 13.767 -6.125 18.749 84 2HG PRO 12 HG1 PRO 12 13.055 -7.610 19.404 85 1HD PRO 12 HD2 PRO 12 11.973 -5.085 19.694 86 2HD PRO 12 HD1 PRO 12 11.634 -6.456 20.766 87 H THR 13 HN THR 13 17.111 -5.373 21.172 88 HA THR 13 HA THR 13 17.352 -2.623 20.439 89 HB THR 13 HB THR 13 19.768 -3.319 19.937 90 HG1 THR 13 HG1 THR 13 19.777 -5.438 19.644 91 1HG2 THR 13 2HG2 THR 13 19.108 -2.356 22.097 92 2HG2 THR 13 1HG2 THR 13 18.744 -3.978 22.686 93 3HG2 THR 13 3HG2 THR 13 20.396 -3.550 22.247 94 H PHE 14 HN PHE 14 15.902 -2.573 18.617 95 HA PHE 14 HA PHE 14 17.273 -3.227 16.116 96 1HB PHE 14 HB2 PHE 14 14.526 -4.159 16.904 97 2HB PHE 14 HB1 PHE 14 14.945 -3.925 15.211 98 HD1 PHE 14 HD1 PHE 14 16.413 -5.434 14.075 99 HD2 PHE 14 HD2 PHE 14 15.638 -5.888 18.234 100 HE1 PHE 14 HE1 PHE 14 17.424 -7.676 14.014 101 HE2 PHE 14 HE2 PHE 14 16.647 -8.131 18.182 102 HZ PHE 14 HZ PHE 14 17.542 -9.027 16.070 103 H LEU 15 HN LEU 15 14.528 -1.562 17.654 104 HA LEU 15 HA LEU 15 13.876 0.111 15.491 105 1HB LEU 15 HB2 LEU 15 13.408 0.234 18.445 106 2HB LEU 15 HB1 LEU 15 13.015 1.624 17.454 107 HG LEU 15 HG LEU 15 11.020 0.337 17.783 108 1HD1 LEU 15 1HD1 LEU 15 11.523 1.323 15.508 109 2HD1 LEU 15 3HD1 LEU 15 11.935 -0.313 14.995 110 3HD1 LEU 15 2HD1 LEU 15 10.303 0.051 15.558 111 1HD2 LEU 15 3HD2 LEU 15 12.247 -1.806 18.272 112 2HD2 LEU 15 2HD2 LEU 15 10.794 -1.970 17.285 113 3HD2 LEU 15 1HD2 LEU 15 12.385 -2.035 16.528 114 H THR 16 HN THR 16 16.051 0.617 18.260 115 HA THR 16 HA THR 16 16.769 3.266 17.733 116 HB THR 16 HB THR 16 18.584 1.145 18.898 117 HG1 THR 16 HG1 THR 16 17.085 1.002 20.354 118 1HG2 THR 16 1HG2 THR 16 18.457 4.120 19.320 119 2HG2 THR 16 3HG2 THR 16 19.427 3.004 20.282 120 3HG2 THR 16 2HG2 THR 16 19.761 3.206 18.562 121 H GLN 17 HN GLN 17 18.129 0.231 16.513 122 HA GLN 17 HA GLN 17 20.329 1.307 15.139 123 1HB GLN 17 HB2 GLN 17 18.725 -1.198 14.606 124 2HB GLN 17 HB1 GLN 17 20.246 -0.815 13.812 125 1HG GLN 17 HG2 GLN 17 20.152 -0.837 16.784 126 2HG GLN 17 HG1 GLN 17 20.162 -2.371 15.918 127 1HE2 GLN 17 1HE2 GLN 17 21.968 0.466 16.755 128 2HE2 GLN 17 2HE2 GLN 17 23.498 -0.086 16.173 129 H VAL 18 HN VAL 18 17.005 0.682 14.079 130 HA VAL 18 HA VAL 18 16.858 0.934 11.466 131 HB VAL 18 HB VAL 18 15.212 2.602 13.367 132 1HG1 VAL 18 1HG1 VAL 18 14.883 2.053 10.432 133 2HG1 VAL 18 3HG1 VAL 18 13.514 2.465 11.465 134 3HG1 VAL 18 2HG1 VAL 18 14.849 3.601 11.275 135 1HG2 VAL 18 2HG2 VAL 18 14.877 -0.150 12.199 136 2HG2 VAL 18 1HG2 VAL 18 14.948 0.314 13.898 137 3HG2 VAL 18 3HG2 VAL 18 13.545 0.749 12.924 138 H LYS 19 HN LYS 19 17.397 3.837 13.483 139 HA LYS 19 HA LYS 19 17.433 5.753 11.503 140 1HB LYS 19 HB2 LYS 19 18.971 5.562 14.083 141 2HB LYS 19 HB1 LYS 19 19.089 6.970 13.038 142 1HG LYS 19 HG2 LYS 19 16.436 5.968 14.005 143 2HG LYS 19 HG1 LYS 19 17.436 7.039 14.988 144 1HD LYS 19 HD2 LYS 19 17.344 8.764 13.360 145 2HD LYS 19 HD1 LYS 19 16.651 7.680 12.152 146 1HE LYS 19 HE2 LYS 19 14.636 7.457 13.578 147 2HE LYS 19 HE1 LYS 19 15.327 8.641 14.687 148 1HZ LYS 19 HZ3 LYS 19 15.320 10.266 12.894 149 2HZ LYS 19 HZ2 LYS 19 14.655 9.129 11.834 150 3HZ LYS 19 HZ1 LYS 19 13.761 9.666 13.165 151 H GLU 20 HN GLU 20 20.287 4.022 12.760 152 HA GLU 20 HA GLU 20 22.090 5.079 10.864 153 1HB GLU 20 HB2 GLU 20 22.297 2.460 12.360 154 2HB GLU 20 HB1 GLU 20 23.621 3.317 11.585 155 1HG GLU 20 HG2 GLU 20 23.991 4.091 13.653 156 2HG GLU 20 HG1 GLU 20 22.720 5.240 13.240 157 H SER 21 HN SER 21 19.884 2.396 10.793 158 HA SER 21 HA SER 21 20.971 0.969 8.619 159 1HB SER 21 HB2 SER 21 19.210 -0.417 8.917 160 2HB SER 21 HB1 SER 21 18.870 0.567 10.338 161 HG SER 21 HG SER 21 17.287 1.596 9.268 162 H LEU 22 HN LEU 22 18.776 3.722 8.778 163 HA LEU 22 HA LEU 22 18.091 3.725 6.014 164 1HB LEU 22 HB2 LEU 22 16.899 4.860 8.011 165 2HB LEU 22 HB1 LEU 22 18.046 6.162 7.767 166 HG LEU 22 HG LEU 22 16.595 5.301 5.346 167 1HD1 LEU 22 3HD1 LEU 22 14.816 5.117 7.008 168 2HD1 LEU 22 2HD1 LEU 22 15.173 6.747 7.577 169 3HD1 LEU 22 1HD1 LEU 22 14.558 6.499 5.943 170 1HD2 LEU 22 2HD2 LEU 22 18.136 7.190 5.345 171 2HD2 LEU 22 1HD2 LEU 22 16.491 7.720 4.995 172 3HD2 LEU 22 3HD2 LEU 22 17.180 7.984 6.596 173 H SER 23 HN SER 23 20.572 5.368 7.940 174 HA SER 23 HA SER 23 21.526 7.115 5.972 175 1HB SER 23 HB2 SER 23 23.154 5.785 8.153 176 2HB SER 23 HB1 SER 23 23.557 7.279 7.305 177 HG SER 23 HG SER 23 21.765 6.830 9.361 178 H SER 24 HN SER 24 22.760 3.901 6.894 179 HA SER 24 HA SER 24 24.642 3.711 4.797 180 1HB SER 24 HB2 SER 24 24.659 1.275 5.338 181 2HB SER 24 HB1 SER 24 24.848 2.301 6.760 182 HG SER 24 HG SER 24 22.948 1.675 7.483 183 H TYR 25 HN TYR 25 21.228 3.423 4.801 184 HA TYR 25 HA TYR 25 20.954 1.611 2.616 185 1HB TYR 25 HB2 TYR 25 19.216 2.535 4.447 186 2HB TYR 25 HB1 TYR 25 18.826 3.624 3.120 187 HD1 TYR 25 HD1 TYR 25 18.040 2.677 0.946 188 HD2 TYR 25 HD2 TYR 25 18.532 0.261 4.414 189 HE1 TYR 25 HE1 TYR 25 16.633 0.937 -0.072 190 HE2 TYR 25 HE2 TYR 25 17.127 -1.485 3.404 191 HH TYR 25 HH TYR 25 16.557 -1.957 0.529 192 H TRP 26 HN TRP 26 21.040 5.146 2.910 193 HA TRP 26 HA TRP 26 20.429 5.737 0.223 194 1HB TRP 26 HB2 TRP 26 20.474 7.327 2.240 195 2HB TRP 26 HB1 TRP 26 22.208 7.445 1.954 196 HD1 TRP 26 HD1 TRP 26 18.870 8.630 0.611 197 HE1 TRP 26 HE1 TRP 26 19.271 10.357 -1.255 198 HE3 TRP 26 HE3 TRP 26 23.922 8.068 0.055 199 HZ2 TRP 26 HZ2 TRP 26 21.442 11.350 -2.762 200 HZ3 TRP 26 HZ3 TRP 26 25.084 9.444 -1.621 201 HH2 TRP 26 HH2 TRP 26 23.868 11.050 -3.000 202 H GLU 27 HN GLU 27 23.460 5.034 1.857 203 HA GLU 27 HA GLU 27 25.410 5.793 0.140 204 1HB GLU 27 HB2 GLU 27 25.202 3.118 1.537 205 2HB GLU 27 HB1 GLU 27 26.673 3.755 0.818 206 1HG GLU 27 HG2 GLU 27 26.452 5.722 2.366 207 2HG GLU 27 HG1 GLU 27 25.161 4.838 3.177 208 H SER 28 HN SER 28 23.783 2.635 -0.064 209 HA SER 28 HA SER 28 24.720 2.246 -2.779 210 1HB SER 28 HB2 SER 28 23.017 0.541 -0.951 211 2HB SER 28 HB1 SER 28 23.475 0.069 -2.587 212 HG SER 28 HG SER 28 25.041 0.280 -0.282 213 H ALA 29 HN ALA 29 21.972 3.618 -1.250 214 HA ALA 29 HA ALA 29 19.937 2.975 -3.082 215 1HB ALA 29 HB1 ALA 29 19.557 4.049 -0.886 216 2HB ALA 29 HB2 ALA 29 18.734 4.870 -2.212 217 3HB ALA 29 HB3 ALA 29 20.215 5.549 -1.538 218 H LYS 30 HN LYS 30 22.378 5.545 -3.133 219 HA LYS 30 HA LYS 30 21.416 7.083 -5.219 220 1HB LYS 30 HB2 LYS 30 23.480 7.447 -3.710 221 2HB LYS 30 HB1 LYS 30 24.351 6.510 -4.915 222 1HG LYS 30 HG2 LYS 30 23.112 8.317 -6.496 223 2HG LYS 30 HG1 LYS 30 23.337 9.265 -5.025 224 1HD LYS 30 HD2 LYS 30 25.628 7.668 -6.072 225 2HD LYS 30 HD1 LYS 30 25.199 9.175 -6.885 226 1HE LYS 30 HE2 LYS 30 26.677 9.984 -5.346 227 2HE LYS 30 HE1 LYS 30 25.189 10.095 -4.407 228 1HZ LYS 30 HZ3 LYS 30 27.108 7.829 -4.283 229 2HZ LYS 30 HZ2 LYS 30 27.025 9.090 -3.158 230 3HZ LYS 30 HZ1 LYS 30 25.724 8.023 -3.329 231 H THR 31 HN THR 31 23.879 4.530 -5.562 232 HA THR 31 HA THR 31 24.006 4.420 -8.314 233 HB THR 31 HB THR 31 24.586 1.960 -7.988 234 HG1 THR 31 HG1 THR 31 23.646 1.302 -6.184 235 1HG2 THR 31 3HG2 THR 31 26.320 3.693 -7.940 236 2HG2 THR 31 2HG2 THR 31 26.067 3.875 -6.204 237 3HG2 THR 31 1HG2 THR 31 26.672 2.351 -6.852 238 H ALA 32 HN ALA 32 21.619 3.062 -6.138 239 HA ALA 32 HA ALA 32 20.247 1.439 -7.993 240 1HB ALA 32 HB2 ALA 32 18.694 2.776 -5.848 241 2HB ALA 32 HB1 ALA 32 18.724 1.082 -6.340 242 3HB ALA 32 HB3 ALA 32 20.033 1.738 -5.358 243 H ALA 33 HN ALA 33 19.889 4.858 -7.091 244 HA ALA 33 HA ALA 33 17.572 5.516 -8.426 245 1HB ALA 33 HB2 ALA 33 19.016 7.017 -6.980 246 2HB ALA 33 HB1 ALA 33 19.983 7.311 -8.425 247 3HB ALA 33 HB3 ALA 33 18.280 7.768 -8.394 248 H GLN 34 HN GLN 34 20.853 5.760 -9.804 249 HA GLN 34 HA GLN 34 19.945 6.299 -12.425 250 1HB GLN 34 HB2 GLN 34 22.249 6.791 -11.609 251 2HB GLN 34 HB1 GLN 34 22.581 5.066 -11.593 252 1HG GLN 34 HG2 GLN 34 23.496 6.158 -13.574 253 2HG GLN 34 HG1 GLN 34 22.282 4.951 -13.991 254 1HE2 GLN 34 1HE2 GLN 34 22.921 8.390 -13.703 255 2HE2 GLN 34 2HE2 GLN 34 21.650 8.906 -14.753 256 H ASN 35 HN ASN 35 20.635 3.336 -10.665 257 HA ASN 35 HA ASN 35 20.564 1.559 -12.854 258 1HB ASN 35 HB2 ASN 35 21.380 0.967 -10.564 259 2HB ASN 35 HB1 ASN 35 19.708 0.964 -10.014 260 1HD2 ASN 35 1HD2 ASN 35 21.689 -0.423 -12.623 261 2HD2 ASN 35 2HD2 ASN 35 20.971 -1.992 -12.558 262 H LEU 36 HN LEU 36 18.061 3.119 -11.042 263 HA LEU 36 HA LEU 36 15.845 1.544 -11.689 264 1HB LEU 36 HB2 LEU 36 16.141 3.747 -10.197 265 2HB LEU 36 HB1 LEU 36 15.549 4.512 -11.659 266 HG LEU 36 HG LEU 36 14.053 2.221 -10.428 267 1HD1 LEU 36 2HD1 LEU 36 14.407 3.870 -8.649 268 2HD1 LEU 36 1HD1 LEU 36 13.748 5.129 -9.694 269 3HD1 LEU 36 3HD1 LEU 36 12.720 3.801 -9.155 270 1HD2 LEU 36 2HD2 LEU 36 13.311 4.539 -12.204 271 2HD2 LEU 36 1HD2 LEU 36 13.347 2.828 -12.630 272 3HD2 LEU 36 3HD2 LEU 36 12.144 3.428 -11.489 273 H TYR 37 HN TYR 37 17.393 4.259 -13.297 274 HA TYR 37 HA TYR 37 15.724 4.333 -15.587 275 1HB TYR 37 HB2 TYR 37 18.429 5.406 -14.891 276 2HB TYR 37 HB1 TYR 37 17.951 5.378 -16.584 277 HD1 TYR 37 HD1 TYR 37 16.162 6.808 -17.398 278 HD2 TYR 37 HD2 TYR 37 17.309 6.866 -13.299 279 HE1 TYR 37 HE1 TYR 37 14.920 8.906 -17.086 280 HE2 TYR 37 HE2 TYR 37 16.070 8.965 -12.977 281 HH TYR 37 HH TYR 37 15.283 10.980 -15.077 282 H GLU 38 HN GLU 38 18.700 2.647 -14.760 283 HA GLU 38 HA GLU 38 19.330 1.557 -17.251 284 1HB GLU 38 HB2 GLU 38 19.849 0.392 -14.514 285 2HB GLU 38 HB1 GLU 38 20.608 -0.157 -15.998 286 1HG GLU 38 HG2 GLU 38 21.110 2.276 -14.393 287 2HG GLU 38 HG1 GLU 38 22.240 1.216 -15.230 288 H LYS 39 HN LYS 39 17.480 0.075 -14.614 289 HA LYS 39 HA LYS 39 16.854 -2.320 -15.897 290 1HB LYS 39 HB2 LYS 39 15.338 -0.803 -13.771 291 2HB LYS 39 HB1 LYS 39 14.956 -2.446 -14.266 292 1HG LYS 39 HG2 LYS 39 17.578 -1.550 -13.084 293 2HG LYS 39 HG1 LYS 39 16.285 -2.372 -12.210 294 1HD LYS 39 HD2 LYS 39 16.976 -4.365 -12.927 295 2HD LYS 39 HD1 LYS 39 16.977 -3.821 -14.605 296 1HE LYS 39 HE2 LYS 39 19.194 -3.206 -12.661 297 2HE LYS 39 HE1 LYS 39 19.194 -4.621 -13.712 298 1HZ LYS 39 HZ3 LYS 39 18.920 -2.991 -15.602 299 2HZ LYS 39 HZ2 LYS 39 19.299 -1.768 -14.498 300 3HZ LYS 39 HZ1 LYS 39 20.425 -2.985 -14.829 301 H THR 40 HN THR 40 15.696 0.832 -16.583 302 HA THR 40 HA THR 40 13.116 0.080 -17.570 303 HB THR 40 HB THR 40 14.760 2.521 -18.276 304 HG1 THR 40 HG1 THR 40 14.478 2.737 -16.158 305 1HG2 THR 40 3HG2 THR 40 11.801 2.013 -18.456 306 2HG2 THR 40 2HG2 THR 40 12.566 3.593 -18.629 307 3HG2 THR 40 1HG2 THR 40 12.916 2.313 -19.790 308 H TYR 41 HN TYR 41 16.247 0.722 -19.052 309 HA TYR 41 HA TYR 41 15.468 0.225 -21.727 310 1HB TYR 41 HB2 TYR 41 18.274 -0.250 -20.776 311 2HB TYR 41 HB1 TYR 41 17.721 0.433 -22.298 312 HD1 TYR 41 HD1 TYR 41 19.509 1.265 -19.566 313 HD2 TYR 41 HD2 TYR 41 16.080 2.652 -21.672 314 HE1 TYR 41 HE1 TYR 41 19.879 3.523 -18.669 315 HE2 TYR 41 HE2 TYR 41 16.442 4.915 -20.780 316 HH TYR 41 HH TYR 41 17.689 5.838 -18.547 317 H LEU 42 HN LEU 42 16.899 -1.861 -19.232 318 HA LEU 42 HA LEU 42 17.063 -4.137 -20.987 319 1HB LEU 42 HB2 LEU 42 17.541 -3.735 -18.048 320 2HB LEU 42 HB1 LEU 42 17.590 -5.328 -18.777 321 HG LEU 42 HG LEU 42 19.298 -4.090 -20.421 322 1HD1 LEU 42 2HD1 LEU 42 19.381 -2.537 -17.849 323 2HD1 LEU 42 1HD1 LEU 42 20.763 -2.650 -18.938 324 3HD1 LEU 42 3HD1 LEU 42 19.256 -1.924 -19.498 325 1HD2 LEU 42 1HD2 LEU 42 19.739 -6.120 -19.136 326 2HD2 LEU 42 3HD2 LEU 42 21.103 -5.004 -19.057 327 3HD2 LEU 42 2HD2 LEU 42 20.002 -5.150 -17.686 328 HA PRO 43 HA PRO 43 13.046 -5.801 -20.023 329 1HB PRO 43 HB2 PRO 43 13.244 -8.101 -21.351 330 2HB PRO 43 HB1 PRO 43 13.302 -6.555 -22.206 331 1HG PRO 43 HG2 PRO 43 15.507 -8.438 -21.544 332 2HG PRO 43 HG1 PRO 43 15.315 -7.380 -22.952 333 1HD PRO 43 HD2 PRO 43 16.863 -6.872 -20.632 334 2HD PRO 43 HD1 PRO 43 16.496 -5.733 -21.942 335 H ALA 44 HN ALA 44 15.201 -6.243 -17.968 336 HA ALA 44 HA ALA 44 15.207 -8.928 -17.101 337 1HB ALA 44 HB3 ALA 44 15.649 -6.466 -15.425 338 2HB ALA 44 HB2 ALA 44 16.190 -8.106 -15.070 339 3HB ALA 44 HB1 ALA 44 16.875 -7.229 -16.438 340 H VAL 45 HN VAL 45 12.767 -6.546 -16.897 341 HA VAL 45 HA VAL 45 11.452 -6.778 -14.575 342 HB VAL 45 HB VAL 45 10.124 -6.910 -17.287 343 1HG1 VAL 45 3HG1 VAL 45 9.043 -6.265 -14.555 344 2HG1 VAL 45 2HG1 VAL 45 8.235 -5.772 -16.043 345 3HG1 VAL 45 1HG1 VAL 45 8.475 -7.484 -15.696 346 1HG2 VAL 45 1HG2 VAL 45 11.200 -4.663 -15.631 347 2HG2 VAL 45 3HG2 VAL 45 11.377 -4.966 -17.360 348 3HG2 VAL 45 2HG2 VAL 45 9.838 -4.391 -16.718 349 H ASP 46 HN ASP 46 10.672 -9.008 -17.271 350 HA ASP 46 HA ASP 46 9.266 -10.784 -15.518 351 1HB ASP 46 HB2 ASP 46 8.795 -10.365 -17.999 352 2HB ASP 46 HB1 ASP 46 10.151 -11.442 -18.320 353 H GLU 47 HN GLU 47 12.542 -10.653 -16.782 354 HA GLU 47 HA GLU 47 13.209 -13.375 -16.305 355 1HB GLU 47 HB2 GLU 47 14.519 -11.899 -17.787 356 2HB GLU 47 HB1 GLU 47 15.027 -10.958 -16.392 357 1HG GLU 47 HG2 GLU 47 16.698 -12.610 -17.263 358 2HG GLU 47 HG1 GLU 47 16.329 -12.732 -15.544 359 H LYS 48 HN LYS 48 14.094 -10.450 -14.446 360 HA LYS 48 HA LYS 48 15.192 -11.760 -12.238 361 1HB LYS 48 HB2 LYS 48 13.889 -9.052 -12.496 362 2HB LYS 48 HB1 LYS 48 14.657 -9.600 -11.014 363 1HG LYS 48 HG2 LYS 48 16.219 -9.722 -13.541 364 2HG LYS 48 HG1 LYS 48 15.952 -8.151 -12.785 365 1HD LYS 48 HD2 LYS 48 17.915 -8.785 -11.772 366 2HD LYS 48 HD1 LYS 48 16.736 -9.411 -10.618 367 1HE LYS 48 HE2 LYS 48 16.993 -11.617 -11.389 368 2HE LYS 48 HE1 LYS 48 17.805 -11.095 -12.864 369 1HZ LYS 48 HZ2 LYS 48 18.918 -10.880 -10.118 370 2HZ LYS 48 HZ1 LYS 48 19.358 -12.038 -11.270 371 3HZ LYS 48 HZ3 LYS 48 19.699 -10.402 -11.541 372 H LEU 49 HN LEU 49 11.865 -11.216 -13.103 373 HA LEU 49 HA LEU 49 10.675 -11.507 -10.562 374 1HB LEU 49 HB2 LEU 49 9.787 -11.117 -13.193 375 2HB LEU 49 HB1 LEU 49 9.067 -12.635 -12.692 376 HG LEU 49 HG LEU 49 8.325 -11.315 -10.580 377 1HD1 LEU 49 1HD1 LEU 49 9.735 -9.330 -11.181 378 2HD1 LEU 49 3HD1 LEU 49 8.615 -9.022 -12.509 379 3HD1 LEU 49 2HD1 LEU 49 8.043 -8.969 -10.841 380 1HD2 LEU 49 2HD2 LEU 49 7.084 -10.815 -13.284 381 2HD2 LEU 49 1HD2 LEU 49 6.797 -12.213 -12.247 382 3HD2 LEU 49 3HD2 LEU 49 6.279 -10.608 -11.728 383 H ARG 50 HN ARG 50 11.004 -13.865 -13.214 384 HA ARG 50 HA ARG 50 10.257 -16.111 -11.678 385 1HB ARG 50 HB2 ARG 50 10.254 -16.037 -14.167 386 2HB ARG 50 HB1 ARG 50 12.011 -16.038 -14.143 387 1HG ARG 50 HG2 ARG 50 11.198 -18.253 -14.619 388 2HG ARG 50 HG1 ARG 50 11.978 -18.234 -13.037 389 1HD ARG 50 HD2 ARG 50 9.242 -17.622 -12.643 390 2HD ARG 50 HD1 ARG 50 9.318 -19.016 -13.720 391 HE ARG 50 HE ARG 50 11.033 -19.718 -11.782 392 1HH1 ARG 50 1HH1 ARG 50 7.765 -18.464 -11.633 393 2HH1 ARG 50 2HH1 ARG 50 7.391 -19.276 -10.151 394 1HH2 ARG 50 1HH2 ARG 50 10.531 -20.785 -9.831 395 2HH2 ARG 50 2HH2 ARG 50 8.962 -20.593 -9.127 396 H ASP 51 HN ASP 51 13.305 -14.442 -12.180 397 HA ASP 51 HA ASP 51 15.100 -16.384 -11.294 398 1HB ASP 51 HB2 ASP 51 15.138 -13.385 -11.269 399 2HB ASP 51 HB1 ASP 51 16.420 -14.275 -10.459 400 H LEU 52 HN LEU 52 13.668 -13.747 -9.348 401 HA LEU 52 HA LEU 52 14.567 -14.837 -6.873 402 1HB LEU 52 HB2 LEU 52 13.165 -13.129 -5.826 403 2HB LEU 52 HB1 LEU 52 14.161 -12.459 -7.103 404 HG LEU 52 HG LEU 52 11.917 -12.922 -8.510 405 1HD1 LEU 52 1HD1 LEU 52 11.059 -12.551 -5.657 406 2HD1 LEU 52 3HD1 LEU 52 10.032 -12.099 -7.018 407 3HD1 LEU 52 2HD1 LEU 52 10.537 -13.775 -6.814 408 1HD2 LEU 52 2HD2 LEU 52 13.191 -10.804 -8.273 409 2HD2 LEU 52 1HD2 LEU 52 11.442 -10.577 -8.303 410 3HD2 LEU 52 3HD2 LEU 52 12.316 -10.492 -6.774 411 H TYR 53 HN TYR 53 11.817 -15.446 -8.875 412 HA TYR 53 HA TYR 53 10.027 -16.390 -6.889 413 1HB TYR 53 HB2 TYR 53 10.047 -16.126 -9.733 414 2HB TYR 53 HB1 TYR 53 9.576 -17.773 -9.338 415 HD1 TYR 53 HD1 TYR 53 7.593 -18.159 -7.857 416 HD2 TYR 53 HD2 TYR 53 8.561 -14.310 -9.391 417 HE1 TYR 53 HE1 TYR 53 5.309 -17.392 -7.361 418 HE2 TYR 53 HE2 TYR 53 6.282 -13.533 -8.899 419 HH TYR 53 HH TYR 53 3.812 -15.157 -8.578 420 H SER 54 HN SER 54 12.305 -18.067 -9.055 421 HA SER 54 HA SER 54 11.789 -20.677 -8.154 422 1HB SER 54 HB2 SER 54 14.391 -19.584 -9.257 423 2HB SER 54 HB1 SER 54 13.914 -21.281 -9.199 424 HG SER 54 HG SER 54 13.114 -19.266 -10.922 425 H LYS 55 HN LYS 55 14.208 -18.288 -7.115 426 HA LYS 55 HA LYS 55 15.499 -19.890 -5.196 427 1HB LYS 55 HB2 LYS 55 15.174 -16.887 -5.343 428 2HB LYS 55 HB1 LYS 55 16.243 -17.708 -4.214 429 1HG LYS 55 HG2 LYS 55 16.481 -18.130 -7.171 430 2HG LYS 55 HG1 LYS 55 17.248 -16.760 -6.367 431 1HD LYS 55 HD2 LYS 55 18.795 -18.059 -5.332 432 2HD LYS 55 HD1 LYS 55 17.685 -19.417 -5.144 433 1HE LYS 55 HE2 LYS 55 19.250 -20.195 -6.684 434 2HE LYS 55 HE1 LYS 55 17.896 -19.684 -7.689 435 1HZ LYS 55 HZ2 LYS 55 20.319 -18.052 -7.146 436 2HZ LYS 55 HZ1 LYS 55 20.048 -18.944 -8.557 437 3HZ LYS 55 HZ3 LYS 55 19.044 -17.636 -8.177 438 H SER 56 HN SER 56 12.765 -17.639 -4.922 439 HA SER 56 HA SER 56 12.424 -17.814 -2.139 440 1HB SER 56 HB2 SER 56 10.582 -17.058 -4.393 441 2HB SER 56 HB1 SER 56 10.013 -17.098 -2.725 442 HG SER 56 HG SER 56 11.810 -15.365 -3.958 443 H THR 57 HN THR 57 11.610 -20.134 -4.602 444 HA THR 57 HA THR 57 9.421 -21.403 -3.430 445 HB THR 57 HB THR 57 11.642 -22.753 -4.977 446 HG1 THR 57 HG1 THR 57 10.852 -21.897 -6.732 447 1HG2 THR 57 2HG2 THR 57 8.735 -23.450 -4.649 448 2HG2 THR 57 1HG2 THR 57 9.829 -24.205 -5.808 449 3HG2 THR 57 3HG2 THR 57 10.123 -24.376 -4.078 450 H ALA 58 HN ALA 58 12.898 -22.088 -3.031 451 HA ALA 58 HA ALA 58 12.339 -23.972 -0.887 452 1HB ALA 58 HB3 ALA 58 14.075 -24.521 -2.504 453 2HB ALA 58 HB2 ALA 58 14.968 -23.067 -2.055 454 3HB ALA 58 HB1 ALA 58 14.752 -24.368 -0.884 455 H ALA 59 HN ALA 59 13.935 -20.821 -1.294 456 HA ALA 59 HA ALA 59 14.797 -20.504 1.363 457 1HB ALA 59 HB3 ALA 59 14.971 -18.102 0.811 458 2HB ALA 59 HB1 ALA 59 14.127 -18.416 -0.706 459 3HB ALA 59 HB2 ALA 59 15.705 -19.144 -0.407 460 H MET 60 HN MET 60 11.999 -18.919 -0.211 461 HA MET 60 HA MET 60 10.916 -17.878 2.158 462 1HB MET 60 HB2 MET 60 10.396 -17.422 -0.402 463 2HB MET 60 HB1 MET 60 9.097 -18.567 -0.099 464 1HG MET 60 HG2 MET 60 8.526 -17.075 1.910 465 2HG MET 60 HG1 MET 60 9.552 -15.875 1.124 466 1HE MET 60 HE2 MET 60 6.996 -14.817 1.719 467 2HE MET 60 HE1 MET 60 5.656 -14.976 0.582 468 3HE MET 60 HE3 MET 60 6.007 -16.277 1.719 469 H SER 61 HN SER 61 10.861 -21.115 0.986 470 HA SER 61 HA SER 61 8.396 -21.964 2.093 471 1HB SER 61 HB2 SER 61 10.667 -23.191 0.783 472 2HB SER 61 HB1 SER 61 10.121 -24.174 2.139 473 HG SER 61 HG SER 61 8.860 -23.590 -0.249 474 H THR 62 HN THR 62 11.373 -21.137 3.581 475 HA THR 62 HA THR 62 10.744 -22.661 6.003 476 HB THR 62 HB THR 62 12.990 -21.950 6.781 477 HG1 THR 62 HG1 THR 62 13.688 -20.211 5.833 478 1HG2 THR 62 3HG2 THR 62 12.758 -24.041 5.479 479 2HG2 THR 62 2HG2 THR 62 13.157 -23.129 4.022 480 3HG2 THR 62 1HG2 THR 62 14.338 -23.273 5.324 481 H TYR 63 HN TYR 63 11.513 -19.339 4.983 482 HA TYR 63 HA TYR 63 10.949 -18.115 7.448 483 1HB TYR 63 HB2 TYR 63 10.740 -16.795 4.740 484 2HB TYR 63 HB1 TYR 63 11.097 -16.031 6.284 485 HD1 TYR 63 HD1 TYR 63 13.260 -17.157 7.487 486 HD2 TYR 63 HD2 TYR 63 12.513 -17.043 3.300 487 HE1 TYR 63 HE1 TYR 63 15.667 -17.421 7.056 488 HE2 TYR 63 HE2 TYR 63 14.918 -17.307 2.857 489 HH TYR 63 HH TYR 63 16.999 -18.462 4.628 490 H THR 64 HN THR 64 8.899 -19.324 4.935 491 HA THR 64 HA THR 64 6.670 -17.637 5.471 492 HB THR 64 HB THR 64 7.022 -20.232 4.010 493 HG1 THR 64 HG1 THR 64 6.074 -17.658 3.287 494 1HG2 THR 64 3HG2 THR 64 4.387 -19.003 4.748 495 2HG2 THR 64 2HG2 THR 64 4.598 -20.016 3.321 496 3HG2 THR 64 1HG2 THR 64 4.909 -20.678 4.925 497 H GLY 65 HN GLY 65 7.256 -21.047 6.309 498 1HA GLY 65 HA1 GLY 65 6.507 -22.302 8.084 499 2HA GLY 65 HA2 GLY 65 5.108 -21.234 8.135 500 H ILE 66 HN ILE 66 8.498 -20.328 8.498 501 HA ILE 66 HA ILE 66 8.555 -20.203 11.323 502 HB ILE 66 HB ILE 66 10.251 -18.893 9.205 503 1HG1 ILE 66 2HG1 ILE 66 10.469 -21.341 9.589 504 2HG1 ILE 66 1HG1 ILE 66 11.946 -20.457 9.952 505 1HG2 ILE 66 2HG2 ILE 66 10.369 -18.528 12.180 506 2HG2 ILE 66 1HG2 ILE 66 11.806 -18.358 11.171 507 3HG2 ILE 66 3HG2 ILE 66 10.415 -17.305 10.910 508 1HD1 ILE 66 3HD1 ILE 66 11.385 -20.556 12.344 509 2HD1 ILE 66 2HD1 ILE 66 9.953 -21.506 11.946 510 3HD1 ILE 66 1HD1 ILE 66 11.559 -22.153 11.615 511 H PHE 67 HN PHE 67 8.317 -17.576 8.919 512 HA PHE 67 HA PHE 67 7.891 -15.450 10.631 513 1HB PHE 67 HB2 PHE 67 8.233 -15.136 8.234 514 2HB PHE 67 HB1 PHE 67 6.671 -15.873 7.893 515 HD1 PHE 67 HD1 PHE 67 8.329 -12.938 9.396 516 HD2 PHE 67 HD2 PHE 67 4.674 -14.618 8.005 517 HE1 PHE 67 HE1 PHE 67 7.260 -10.728 9.547 518 HE2 PHE 67 HE2 PHE 67 3.599 -12.410 8.153 519 HZ PHE 67 HZ PHE 67 4.892 -10.462 8.925 520 H THR 68 HN THR 68 5.345 -17.370 9.024 521 HA THR 68 HA THR 68 3.213 -16.172 10.415 522 HB THR 68 HB THR 68 3.085 -17.490 8.249 523 HG1 THR 68 HG1 THR 68 1.158 -16.952 9.073 524 1HG2 THR 68 3HG2 THR 68 4.250 -19.528 9.229 525 2HG2 THR 68 2HG2 THR 68 2.708 -19.889 10.002 526 3HG2 THR 68 1HG2 THR 68 2.815 -19.806 8.243 527 H ASP 69 HN ASP 69 5.443 -18.612 11.351 528 HA ASP 69 HA ASP 69 3.939 -20.051 13.222 529 1HB ASP 69 HB2 ASP 69 6.622 -19.982 12.448 530 2HB ASP 69 HB1 ASP 69 6.650 -19.582 14.161 531 H GLN 70 HN GLN 70 6.040 -17.225 13.791 532 HA GLN 70 HA GLN 70 5.201 -16.870 16.487 533 1HB GLN 70 HB2 GLN 70 6.631 -15.020 14.573 534 2HB GLN 70 HB1 GLN 70 6.347 -14.642 16.266 535 1HG GLN 70 HG2 GLN 70 8.457 -15.471 16.400 536 2HG GLN 70 HG1 GLN 70 7.538 -16.956 16.642 537 1HE2 GLN 70 1HE2 GLN 70 8.252 -18.618 15.514 538 2HE2 GLN 70 2HE2 GLN 70 9.054 -18.546 13.986 539 H VAL 71 HN VAL 71 3.956 -15.798 13.432 540 HA VAL 71 HA VAL 71 2.414 -13.597 14.357 541 HB VAL 71 HB VAL 71 2.030 -15.345 11.912 542 1HG1 VAL 71 1HG1 VAL 71 0.667 -12.805 12.769 543 2HG1 VAL 71 3HG1 VAL 71 0.719 -13.331 11.087 544 3HG1 VAL 71 2HG1 VAL 71 -0.065 -14.340 12.302 545 1HG2 VAL 71 2HG2 VAL 71 4.120 -13.739 12.353 546 2HG2 VAL 71 1HG2 VAL 71 3.409 -13.961 10.755 547 3HG2 VAL 71 3HG2 VAL 71 2.984 -12.548 11.720 548 H LEU 72 HN LEU 72 1.595 -16.946 13.532 549 HA LEU 72 HA LEU 72 -1.067 -16.933 14.389 550 1HB LEU 72 HB2 LEU 72 0.134 -18.730 13.046 551 2HB LEU 72 HB1 LEU 72 0.806 -19.292 14.565 552 HG LEU 72 HG LEU 72 -1.622 -19.529 15.358 553 1HD1 LEU 72 2HD1 LEU 72 -2.081 -19.335 12.385 554 2HD1 LEU 72 1HD1 LEU 72 -3.266 -19.882 13.572 555 3HD1 LEU 72 3HD1 LEU 72 -2.679 -18.218 13.612 556 1HD2 LEU 72 2HD2 LEU 72 -0.173 -21.424 14.845 557 2HD2 LEU 72 1HD2 LEU 72 -1.830 -21.732 14.326 558 3HD2 LEU 72 3HD2 LEU 72 -0.600 -21.298 13.138 559 H SER 73 HN SER 73 1.981 -17.338 16.089 560 HA SER 73 HA SER 73 1.004 -18.277 18.542 561 1HB SER 73 HB2 SER 73 3.463 -17.960 17.718 562 2HB SER 73 HB1 SER 73 3.307 -16.350 18.420 563 HG SER 73 HG SER 73 4.120 -17.743 19.973 564 H VAL 74 HN VAL 74 1.180 -15.029 17.228 565 HA VAL 74 HA VAL 74 0.431 -13.703 19.647 566 HB VAL 74 HB VAL 74 0.075 -12.670 16.828 567 1HG1 VAL 74 1HG1 VAL 74 0.221 -11.347 19.524 568 2HG1 VAL 74 3HG1 VAL 74 0.466 -10.464 18.016 569 3HG1 VAL 74 2HG1 VAL 74 -1.075 -11.263 18.330 570 1HG2 VAL 74 1HG2 VAL 74 2.506 -13.137 18.396 571 2HG2 VAL 74 3HG2 VAL 74 2.302 -12.886 16.662 572 3HG2 VAL 74 2HG2 VAL 74 2.360 -11.501 17.752 573 H LEU 75 HN LEU 75 -1.292 -15.499 17.277 574 HA LEU 75 HA LEU 75 -3.827 -14.260 17.452 575 1HB LEU 75 HB2 LEU 75 -2.925 -16.056 15.785 576 2HB LEU 75 HB1 LEU 75 -3.500 -17.199 16.984 577 HG LEU 75 HG LEU 75 -5.758 -15.947 16.778 578 1HD1 LEU 75 3HD1 LEU 75 -4.433 -15.123 14.198 579 2HD1 LEU 75 2HD1 LEU 75 -6.144 -14.938 14.584 580 3HD1 LEU 75 1HD1 LEU 75 -4.931 -14.046 15.503 581 1HD2 LEU 75 3HD2 LEU 75 -5.377 -18.241 16.037 582 2HD2 LEU 75 2HD2 LEU 75 -6.414 -17.373 14.906 583 3HD2 LEU 75 1HD2 LEU 75 -4.717 -17.648 14.514 584 H LYS 76 HN LYS 76 -2.251 -16.796 19.266 585 HA LYS 76 HA LYS 76 -4.502 -17.477 20.881 586 1HB LYS 76 HB2 LYS 76 -2.303 -18.809 20.391 587 2HB LYS 76 HB1 LYS 76 -1.676 -17.922 21.774 588 1HG LYS 76 HG2 LYS 76 -3.598 -18.794 23.108 589 2HG LYS 76 HG1 LYS 76 -4.021 -19.807 21.727 590 1HD LYS 76 HD2 LYS 76 -1.249 -19.881 22.855 591 2HD LYS 76 HD1 LYS 76 -2.548 -20.781 23.639 592 1HE LYS 76 HE2 LYS 76 -2.918 -22.112 21.732 593 2HE LYS 76 HE1 LYS 76 -1.982 -21.034 20.699 594 1HZ LYS 76 HZ3 LYS 76 -0.874 -22.717 22.884 595 2HZ LYS 76 HZ2 LYS 76 -0.759 -23.052 21.230 596 3HZ LYS 76 HZ1 LYS 76 0.021 -21.695 21.872 597 H GLY 77 HN GLY 77 -1.904 -15.126 21.162 598 1HA GLY 77 HA1 GLY 77 -1.439 -13.523 22.737 599 2HA GLY 77 HA2 GLY 77 -2.251 -14.538 23.917 600 H GLU 78 HN GLU 78 -3.419 -12.844 20.994 601 HA GLU 78 HA GLU 78 -5.064 -11.107 22.661 602 1HB GLU 78 HB2 GLU 78 -4.303 -11.120 19.758 603 2HB GLU 78 HB1 GLU 78 -5.663 -10.155 20.315 604 1HG GLU 78 HG2 GLU 78 -4.111 -8.569 20.588 605 2HG GLU 78 HG1 GLU 78 -3.784 -9.415 22.101 606 H GLU 79 HN GLU 79 -5.591 -13.191 19.806 607 HA GLU 79 HA GLU 79 -7.315 -14.543 19.209 608 1HB GLU 79 HB2 GLU 79 -8.527 -13.971 21.920 609 2HB GLU 79 HB1 GLU 79 -8.968 -15.272 20.826 610 1HG GLU 79 HG2 GLU 79 -7.332 -16.587 21.560 611 2HG GLU 79 HG1 GLU 79 -6.141 -15.290 21.493 No H/Q in entry = 611 Start of MODEL 33 1 H1 THR 1 HT3 THR 1 19.353 -17.445 35.700 2 H2 THR 1 HT2 THR 1 20.926 -17.087 35.112 3 H3 THR 1 HT1 THR 1 19.595 -17.152 34.030 4 HA THR 1 HA THR 1 19.366 -19.427 34.257 5 HB THR 1 HB THR 1 22.343 -18.906 34.188 6 HG1 THR 1 HG1 THR 1 21.802 -17.491 32.719 7 1HG2 THR 1 1HG2 THR 1 21.644 -21.255 33.955 8 2HG2 THR 1 3HG2 THR 1 20.666 -20.799 32.560 9 3HG2 THR 1 2HG2 THR 1 22.420 -20.617 32.505 10 H GLN 2 HN GLN 2 22.176 -18.525 36.283 11 HA GLN 2 HA GLN 2 21.282 -20.504 38.274 12 1HB GLN 2 HB2 GLN 2 24.107 -20.048 37.295 13 2HB GLN 2 HB1 GLN 2 23.696 -21.020 38.700 14 1HG GLN 2 HG2 GLN 2 23.069 -22.773 37.463 15 2HG GLN 2 HG1 GLN 2 22.259 -21.767 36.263 16 1HE2 GLN 2 1HE2 GLN 2 23.731 -20.558 34.779 17 2HE2 GLN 2 2HE2 GLN 2 25.152 -21.373 34.231 18 H GLN 3 HN GLN 3 22.923 -20.118 40.323 19 HA GLN 3 HA GLN 3 22.104 -17.692 41.457 20 1HB GLN 3 HB2 GLN 3 23.398 -19.999 42.362 21 2HB GLN 3 HB1 GLN 3 24.533 -18.697 42.688 22 1HG GLN 3 HG2 GLN 3 21.662 -18.459 43.488 23 2HG GLN 3 HG1 GLN 3 22.815 -19.341 44.490 24 1HE2 GLN 3 1HE2 GLN 3 21.940 -16.218 43.190 25 2HE2 GLN 3 2HE2 GLN 3 22.897 -15.279 44.278 26 HA PRO 4 HA PRO 4 26.436 -15.864 40.619 27 1HB PRO 4 HB2 PRO 4 28.341 -17.310 39.389 28 2HB PRO 4 HB1 PRO 4 28.037 -17.446 41.124 29 1HG PRO 4 HG2 PRO 4 27.204 -19.260 38.905 30 2HG PRO 4 HG1 PRO 4 27.764 -19.665 40.537 31 1HD PRO 4 HD2 PRO 4 25.119 -19.626 39.746 32 2HD PRO 4 HD1 PRO 4 25.674 -19.469 41.422 33 H GLN 5 HN GLN 5 25.675 -18.157 37.983 34 HA GLN 5 HA GLN 5 26.431 -16.359 35.902 35 1HB GLN 5 HB2 GLN 5 26.512 -18.747 35.517 36 2HB GLN 5 HB1 GLN 5 24.797 -18.901 35.864 37 1HG GLN 5 HG2 GLN 5 25.302 -19.021 33.466 38 2HG GLN 5 HG1 GLN 5 24.231 -17.682 33.869 39 1HE2 GLN 5 1HE2 GLN 5 24.675 -15.901 32.788 40 2HE2 GLN 5 2HE2 GLN 5 26.240 -15.381 32.276 41 H GLN 6 HN GLN 6 25.332 -14.678 35.158 42 HA GLN 6 HA GLN 6 22.734 -14.010 36.082 43 1HB GLN 6 HB2 GLN 6 24.308 -12.839 33.778 44 2HB GLN 6 HB1 GLN 6 22.888 -12.113 34.517 45 1HG GLN 6 HG2 GLN 6 25.584 -12.542 35.777 46 2HG GLN 6 HG1 GLN 6 24.824 -11.008 35.356 47 1HE2 GLN 6 1HE2 GLN 6 22.975 -10.333 36.576 48 2HE2 GLN 6 2HE2 GLN 6 22.751 -10.888 38.196 49 H ASP 7 HN ASP 7 21.119 -13.174 34.218 50 HA ASP 7 HA ASP 7 20.101 -15.550 33.020 51 1HB ASP 7 HB2 ASP 7 18.225 -14.271 32.401 52 2HB ASP 7 HB1 ASP 7 18.774 -13.535 33.901 53 H GLU 8 HN GLU 8 19.216 -15.202 30.603 54 HA GLU 8 HA GLU 8 21.529 -15.335 28.951 55 1HB GLU 8 HB2 GLU 8 20.135 -16.148 27.317 56 2HB GLU 8 HB1 GLU 8 19.171 -16.496 28.742 57 1HG GLU 8 HG2 GLU 8 18.805 -14.252 26.776 58 2HG GLU 8 HG1 GLU 8 17.726 -15.608 27.083 59 H MET 9 HN MET 9 21.368 -14.133 26.700 60 HA MET 9 HA MET 9 21.820 -11.381 27.245 61 1HB MET 9 HB2 MET 9 22.914 -12.811 25.432 62 2HB MET 9 HB1 MET 9 21.439 -12.577 24.503 63 1HG MET 9 HG2 MET 9 21.969 -10.030 25.082 64 2HG MET 9 HG1 MET 9 23.608 -10.674 25.143 65 1HE MET 9 HE2 MET 9 20.335 -10.816 23.165 66 2HE MET 9 HE1 MET 9 20.916 -9.219 22.697 67 3HE MET 9 HE3 MET 9 20.829 -10.512 21.500 68 HA PRO 10 HA PRO 10 17.500 -10.182 26.916 69 1HB PRO 10 HB2 PRO 10 17.904 -7.524 27.335 70 2HB PRO 10 HB1 PRO 10 17.887 -8.716 28.640 71 1HG PRO 10 HG2 PRO 10 20.223 -7.473 27.240 72 2HG PRO 10 HG1 PRO 10 19.990 -7.783 28.971 73 1HD PRO 10 HD2 PRO 10 21.494 -9.390 27.402 74 2HD PRO 10 HD1 PRO 10 20.558 -10.009 28.778 75 H SER 11 HN SER 11 16.195 -8.946 25.474 76 HA SER 11 HA SER 11 17.266 -8.744 22.835 77 1HB SER 11 HB2 SER 11 14.572 -8.051 24.010 78 2HB SER 11 HB1 SER 11 14.952 -7.827 22.302 79 HG SER 11 HG SER 11 15.041 -9.961 22.020 80 HA PRO 12 HA PRO 12 18.623 -4.497 23.375 81 1HB PRO 12 HB2 PRO 12 19.862 -4.248 20.996 82 2HB PRO 12 HB1 PRO 12 20.559 -5.186 22.323 83 1HG PRO 12 HG2 PRO 12 19.055 -6.138 19.917 84 2HG PRO 12 HG1 PRO 12 20.521 -6.808 20.659 85 1HD PRO 12 HD2 PRO 12 18.024 -7.831 21.070 86 2HD PRO 12 HD1 PRO 12 19.337 -7.949 22.257 87 H THR 13 HN THR 13 18.368 -2.441 22.183 88 HA THR 13 HA THR 13 15.707 -2.163 21.192 89 HB THR 13 HB THR 13 16.732 -0.393 22.521 90 HG1 THR 13 HG1 THR 13 15.226 0.486 21.259 91 1HG2 THR 13 3HG2 THR 13 19.061 -0.645 21.655 92 2HG2 THR 13 2HG2 THR 13 18.543 0.206 20.201 93 3HG2 THR 13 1HG2 THR 13 18.480 1.016 21.766 94 H PHE 14 HN PHE 14 14.988 -2.331 19.177 95 HA PHE 14 HA PHE 14 16.925 -2.573 17.003 96 1HB PHE 14 HB2 PHE 14 14.956 -4.221 17.499 97 2HB PHE 14 HB1 PHE 14 13.979 -3.019 16.661 98 HD1 PHE 14 HD1 PHE 14 16.729 -5.428 16.313 99 HD2 PHE 14 HD2 PHE 14 14.147 -2.712 14.298 100 HE1 PHE 14 HE1 PHE 14 17.418 -6.382 14.153 101 HE2 PHE 14 HE2 PHE 14 14.830 -3.662 12.134 102 HZ PHE 14 HZ PHE 14 16.468 -5.499 12.059 103 H LEU 15 HN LEU 15 14.350 -0.475 18.120 104 HA LEU 15 HA LEU 15 13.866 0.925 15.729 105 1HB LEU 15 HB2 LEU 15 13.010 2.738 17.208 106 2HB LEU 15 HB1 LEU 15 12.322 1.159 17.529 107 HG LEU 15 HG LEU 15 14.468 1.290 19.280 108 1HD1 LEU 15 2HD1 LEU 15 14.694 3.692 18.743 109 2HD1 LEU 15 1HD1 LEU 15 13.044 3.945 19.310 110 3HD1 LEU 15 3HD1 LEU 15 14.288 3.393 20.432 111 1HD2 LEU 15 1HD2 LEU 15 12.252 0.351 19.721 112 2HD2 LEU 15 3HD2 LEU 15 12.752 1.460 20.998 113 3HD2 LEU 15 2HD2 LEU 15 11.576 1.978 19.790 114 H THR 16 HN THR 16 16.199 1.503 18.348 115 HA THR 16 HA THR 16 17.236 3.937 17.442 116 HB THR 16 HB THR 16 18.693 1.714 18.894 117 HG1 THR 16 HG1 THR 16 17.081 2.270 20.216 118 1HG2 THR 16 2HG2 THR 16 19.322 4.646 18.663 119 2HG2 THR 16 1HG2 THR 16 20.045 3.561 19.850 120 3HG2 THR 16 3HG2 THR 16 20.313 3.288 18.128 121 H GLN 17 HN GLN 17 18.139 0.601 16.657 122 HA GLN 17 HA GLN 17 20.344 1.178 15.007 123 1HB GLN 17 HB2 GLN 17 20.080 -1.053 15.791 124 2HB GLN 17 HB1 GLN 17 18.451 -1.167 15.145 125 1HG GLN 17 HG2 GLN 17 20.220 -0.612 12.993 126 2HG GLN 17 HG1 GLN 17 20.895 -1.933 13.942 127 1HE2 GLN 17 1HE2 GLN 17 20.416 -3.770 12.952 128 2HE2 GLN 17 2HE2 GLN 17 18.867 -4.207 12.327 129 H VAL 18 HN VAL 18 16.975 0.407 14.130 130 HA VAL 18 HA VAL 18 16.791 0.485 11.502 131 HB VAL 18 HB VAL 18 15.035 2.098 13.351 132 1HG1 VAL 18 2HG1 VAL 18 14.700 1.413 10.443 133 2HG1 VAL 18 1HG1 VAL 18 13.332 1.794 11.489 134 3HG1 VAL 18 3HG1 VAL 18 14.596 2.994 11.219 135 1HG2 VAL 18 3HG2 VAL 18 15.358 -0.701 12.896 136 2HG2 VAL 18 2HG2 VAL 18 14.251 0.123 13.994 137 3HG2 VAL 18 1HG2 VAL 18 13.760 -0.210 12.334 138 H LYS 19 HN LYS 19 17.116 3.525 13.356 139 HA LYS 19 HA LYS 19 16.983 5.336 11.285 140 1HB LYS 19 HB2 LYS 19 18.285 5.333 13.955 141 2HB LYS 19 HB1 LYS 19 18.777 6.590 12.829 142 1HG LYS 19 HG2 LYS 19 17.057 7.563 14.052 143 2HG LYS 19 HG1 LYS 19 16.281 7.066 12.547 144 1HD LYS 19 HD2 LYS 19 16.261 5.051 14.692 145 2HD LYS 19 HD1 LYS 19 15.324 6.508 15.023 146 1HE LYS 19 HE2 LYS 19 14.047 6.207 13.006 147 2HE LYS 19 HE1 LYS 19 15.065 4.855 12.514 148 1HZ LYS 19 HZ2 LYS 19 14.289 3.674 14.533 149 2HZ LYS 19 HZ1 LYS 19 13.203 4.939 14.824 150 3HZ LYS 19 HZ3 LYS 19 13.053 3.999 13.425 151 H GLU 20 HN GLU 20 20.026 4.014 12.628 152 HA GLU 20 HA GLU 20 21.658 5.082 10.591 153 1HB GLU 20 HB2 GLU 20 22.113 3.807 12.983 154 2HB GLU 20 HB1 GLU 20 22.647 2.607 11.815 155 1HG GLU 20 HG2 GLU 20 23.597 5.462 11.899 156 2HG GLU 20 HG1 GLU 20 24.452 4.091 12.605 157 H SER 21 HN SER 21 19.715 2.220 10.758 158 HA SER 21 HA SER 21 20.968 0.675 8.759 159 1HB SER 21 HB2 SER 21 18.004 0.701 9.370 160 2HB SER 21 HB1 SER 21 18.949 -0.623 8.690 161 HG SER 21 HG SER 21 18.448 -0.709 11.019 162 H LEU 22 HN LEU 22 18.349 3.070 8.601 163 HA LEU 22 HA LEU 22 17.971 2.849 5.784 164 1HB LEU 22 HB2 LEU 22 17.040 4.694 7.930 165 2HB LEU 22 HB1 LEU 22 16.923 5.244 6.269 166 HG LEU 22 HG LEU 22 15.695 2.990 5.856 167 1HD1 LEU 22 1HD1 LEU 22 15.355 3.292 8.838 168 2HD1 LEU 22 3HD1 LEU 22 14.457 2.179 7.805 169 3HD1 LEU 22 2HD1 LEU 22 16.198 1.981 8.011 170 1HD2 LEU 22 1HD2 LEU 22 14.418 5.228 7.426 171 2HD2 LEU 22 3HD2 LEU 22 14.645 5.179 5.678 172 3HD2 LEU 22 2HD2 LEU 22 13.560 4.029 6.459 173 H SER 23 HN SER 23 19.881 4.979 7.868 174 HA SER 23 HA SER 23 20.684 6.842 5.940 175 1HB SER 23 HB2 SER 23 22.256 5.870 8.341 176 2HB SER 23 HB1 SER 23 22.543 7.368 7.455 177 HG SER 23 HG SER 23 20.606 6.757 9.324 178 H SER 24 HN SER 24 22.420 3.951 7.101 179 HA SER 24 HA SER 24 24.491 4.089 5.188 180 1HB SER 24 HB2 SER 24 23.441 1.852 6.915 181 2HB SER 24 HB1 SER 24 24.781 1.612 5.794 182 HG SER 24 HG SER 24 24.937 2.534 8.219 183 H TYR 25 HN TYR 25 21.214 3.127 4.905 184 HA TYR 25 HA TYR 25 21.541 1.272 2.748 185 1HB TYR 25 HB2 TYR 25 19.543 1.430 4.335 186 2HB TYR 25 HB1 TYR 25 19.029 2.819 3.384 187 HD1 TYR 25 HD1 TYR 25 18.282 2.528 1.063 188 HD2 TYR 25 HD2 TYR 25 19.370 -0.811 3.467 189 HE1 TYR 25 HE1 TYR 25 17.176 1.025 -0.536 190 HE2 TYR 25 HE2 TYR 25 18.268 -2.324 1.872 191 HH TYR 25 HH TYR 25 17.672 -1.875 -0.982 192 H TRP 26 HN TRP 26 20.635 4.705 2.990 193 HA TRP 26 HA TRP 26 20.218 5.128 0.237 194 1HB TRP 26 HB2 TRP 26 20.158 6.698 2.607 195 2HB TRP 26 HB1 TRP 26 21.183 7.531 1.443 196 HD1 TRP 26 HD1 TRP 26 17.698 7.340 2.435 197 HE1 TRP 26 HE1 TRP 26 16.137 8.222 0.589 198 HE3 TRP 26 HE3 TRP 26 20.993 7.371 -1.476 199 HZ2 TRP 26 HZ2 TRP 26 16.281 8.848 -2.159 200 HZ3 TRP 26 HZ3 TRP 26 20.202 8.124 -3.680 201 HH2 TRP 26 HH2 TRP 26 17.893 8.847 -4.012 202 H GLU 27 HN GLU 27 23.105 5.230 2.224 203 HA GLU 27 HA GLU 27 24.957 6.571 0.776 204 1HB GLU 27 HB2 GLU 27 25.023 4.276 2.588 205 2HB GLU 27 HB1 GLU 27 26.352 4.272 1.439 206 1HG GLU 27 HG2 GLU 27 27.422 5.816 2.601 207 2HG GLU 27 HG1 GLU 27 26.037 6.904 2.507 208 H SER 28 HN SER 28 24.152 3.142 0.270 209 HA SER 28 HA SER 28 25.443 3.206 -2.348 210 1HB SER 28 HB2 SER 28 24.332 0.944 -0.680 211 2HB SER 28 HB1 SER 28 24.966 0.726 -2.311 212 HG SER 28 HG SER 28 26.352 0.633 -0.154 213 H ALA 29 HN ALA 29 22.330 3.608 -1.020 214 HA ALA 29 HA ALA 29 20.704 2.365 -2.946 215 1HB ALA 29 HB3 ALA 29 19.910 3.299 -0.781 216 2HB ALA 29 HB2 ALA 29 20.054 4.912 -1.479 217 3HB ALA 29 HB1 ALA 29 18.919 3.752 -2.167 218 H LYS 30 HN LYS 30 22.481 5.387 -3.063 219 HA LYS 30 HA LYS 30 21.150 6.725 -5.083 220 1HB LYS 30 HB2 LYS 30 23.160 7.508 -3.714 221 2HB LYS 30 HB1 LYS 30 24.155 6.654 -4.885 222 1HG LYS 30 HG2 LYS 30 22.894 8.067 -6.642 223 2HG LYS 30 HG1 LYS 30 22.459 9.086 -5.268 224 1HD LYS 30 HD2 LYS 30 24.781 9.472 -4.755 225 2HD LYS 30 HD1 LYS 30 25.285 8.324 -5.997 226 1HE LYS 30 HE2 LYS 30 24.354 9.756 -7.726 227 2HE LYS 30 HE1 LYS 30 23.773 10.885 -6.502 228 1HZ LYS 30 HZ2 LYS 30 26.071 11.299 -5.857 229 2HZ LYS 30 HZ1 LYS 30 26.619 10.227 -7.045 230 3HZ LYS 30 HZ3 LYS 30 25.830 11.655 -7.492 231 H THR 31 HN THR 31 23.823 4.401 -5.490 232 HA THR 31 HA THR 31 24.021 4.382 -8.236 233 HB THR 31 HB THR 31 24.897 2.112 -8.068 234 HG1 THR 31 HG1 THR 31 23.874 2.132 -5.422 235 1HG2 THR 31 3HG2 THR 31 26.228 4.067 -7.114 236 2HG2 THR 31 2HG2 THR 31 25.776 3.433 -5.531 237 3HG2 THR 31 1HG2 THR 31 26.708 2.435 -6.646 238 H ALA 32 HN ALA 32 21.658 2.816 -6.164 239 HA ALA 32 HA ALA 32 20.381 1.243 -8.127 240 1HB ALA 32 HB2 ALA 32 18.800 2.412 -5.889 241 2HB ALA 32 HB1 ALA 32 18.800 0.771 -6.534 242 3HB ALA 32 HB3 ALA 32 20.126 1.314 -5.506 243 H ALA 33 HN ALA 33 19.813 4.573 -6.994 244 HA ALA 33 HA ALA 33 17.510 5.195 -8.381 245 1HB ALA 33 HB3 ALA 33 18.811 6.662 -6.760 246 2HB ALA 33 HB2 ALA 33 19.795 7.132 -8.146 247 3HB ALA 33 HB1 ALA 33 18.065 7.472 -8.137 248 H GLN 34 HN GLN 34 20.842 5.602 -9.571 249 HA GLN 34 HA GLN 34 20.075 6.366 -12.186 250 1HB GLN 34 HB2 GLN 34 22.646 5.086 -11.220 251 2HB GLN 34 HB1 GLN 34 22.418 5.812 -12.805 252 1HG GLN 34 HG2 GLN 34 22.762 7.867 -12.030 253 2HG GLN 34 HG1 GLN 34 21.710 7.615 -10.639 254 1HE2 GLN 34 1HE2 GLN 34 22.588 6.862 -8.710 255 2HE2 GLN 34 2HE2 GLN 34 24.288 6.875 -8.407 256 H ASN 35 HN ASN 35 20.742 3.280 -10.637 257 HA ASN 35 HA ASN 35 20.720 1.665 -12.944 258 1HB ASN 35 HB2 ASN 35 21.455 1.029 -10.567 259 2HB ASN 35 HB1 ASN 35 19.748 0.742 -10.246 260 1HD2 ASN 35 1HD2 ASN 35 22.338 -0.121 -12.507 261 2HD2 ASN 35 2HD2 ASN 35 21.798 -1.740 -12.774 262 H LEU 36 HN LEU 36 18.159 3.126 -11.133 263 HA LEU 36 HA LEU 36 15.991 1.516 -11.858 264 1HB LEU 36 HB2 LEU 36 16.111 3.589 -10.269 265 2HB LEU 36 HB1 LEU 36 15.774 4.511 -11.720 266 HG LEU 36 HG LEU 36 13.956 2.242 -11.144 267 1HD1 LEU 36 2HD1 LEU 36 14.276 3.225 -8.923 268 2HD1 LEU 36 1HD1 LEU 36 13.859 4.812 -9.572 269 3HD1 LEU 36 3HD1 LEU 36 12.655 3.525 -9.546 270 1HD2 LEU 36 1HD2 LEU 36 13.654 3.657 -13.109 271 2HD2 LEU 36 3HD2 LEU 36 12.298 3.824 -11.994 272 3HD2 LEU 36 2HD2 LEU 36 13.534 5.080 -12.075 273 H TYR 37 HN TYR 37 17.505 4.298 -13.380 274 HA TYR 37 HA TYR 37 15.900 4.359 -15.718 275 1HB TYR 37 HB2 TYR 37 18.679 5.392 -15.134 276 2HB TYR 37 HB1 TYR 37 17.885 5.633 -16.685 277 HD1 TYR 37 HD1 TYR 37 17.995 6.625 -13.178 278 HD2 TYR 37 HD2 TYR 37 15.927 7.099 -16.865 279 HE1 TYR 37 HE1 TYR 37 16.886 8.631 -12.291 280 HE2 TYR 37 HE2 TYR 37 14.813 9.108 -15.989 281 HH TYR 37 HH TYR 37 15.664 10.896 -13.834 282 H GLU 38 HN GLU 38 18.836 2.656 -14.803 283 HA GLU 38 HA GLU 38 19.620 1.676 -17.299 284 1HB GLU 38 HB2 GLU 38 20.145 0.940 -14.492 285 2HB GLU 38 HB1 GLU 38 20.407 -0.339 -15.668 286 1HG GLU 38 HG2 GLU 38 22.480 0.685 -15.459 287 2HG GLU 38 HG1 GLU 38 21.815 1.357 -16.946 288 H LYS 39 HN LYS 39 17.854 -0.157 -14.819 289 HA LYS 39 HA LYS 39 17.237 -2.346 -16.424 290 1HB LYS 39 HB2 LYS 39 15.507 -2.877 -14.732 291 2HB LYS 39 HB1 LYS 39 17.072 -2.497 -14.030 292 1HG LYS 39 HG2 LYS 39 16.085 -1.006 -12.730 293 2HG LYS 39 HG1 LYS 39 15.658 -0.073 -14.163 294 1HD LYS 39 HD2 LYS 39 13.691 -1.808 -14.316 295 2HD LYS 39 HD1 LYS 39 14.019 -2.008 -12.593 296 1HE LYS 39 HE2 LYS 39 12.430 -0.336 -12.578 297 2HE LYS 39 HE1 LYS 39 13.928 0.593 -12.550 298 1HZ LYS 39 HZ3 LYS 39 12.319 0.004 -14.977 299 2HZ LYS 39 HZ2 LYS 39 12.343 1.480 -14.151 300 3HZ LYS 39 HZ1 LYS 39 13.739 0.924 -14.928 301 H THR 40 HN THR 40 15.969 0.799 -16.687 302 HA THR 40 HA THR 40 13.314 0.160 -17.484 303 HB THR 40 HB THR 40 15.015 2.557 -18.209 304 HG1 THR 40 HG1 THR 40 14.732 2.628 -16.055 305 1HG2 THR 40 3HG2 THR 40 12.052 2.124 -18.449 306 2HG2 THR 40 2HG2 THR 40 12.823 3.709 -18.483 307 3HG2 THR 40 1HG2 THR 40 13.197 2.521 -19.731 308 H TYR 41 HN TYR 41 16.292 0.773 -19.268 309 HA TYR 41 HA TYR 41 15.228 0.330 -21.854 310 1HB TYR 41 HB2 TYR 41 18.113 -0.213 -21.254 311 2HB TYR 41 HB1 TYR 41 17.395 0.555 -22.663 312 HD1 TYR 41 HD1 TYR 41 16.024 2.825 -21.930 313 HD2 TYR 41 HD2 TYR 41 19.400 1.161 -19.946 314 HE1 TYR 41 HE1 TYR 41 16.550 5.033 -20.984 315 HE2 TYR 41 HE2 TYR 41 19.936 3.364 -18.994 316 HH TYR 41 HH TYR 41 17.945 5.776 -18.704 317 H LEU 42 HN LEU 42 17.007 -1.803 -19.628 318 HA LEU 42 HA LEU 42 16.992 -4.046 -21.387 319 1HB LEU 42 HB2 LEU 42 17.694 -3.609 -18.517 320 2HB LEU 42 HB1 LEU 42 17.521 -5.247 -19.114 321 HG LEU 42 HG LEU 42 19.184 -4.313 -20.991 322 1HD1 LEU 42 2HD1 LEU 42 19.851 -2.712 -18.524 323 2HD1 LEU 42 1HD1 LEU 42 20.862 -2.859 -19.962 324 3HD1 LEU 42 3HD1 LEU 42 19.290 -2.065 -20.066 325 1HD2 LEU 42 2HD2 LEU 42 19.495 -6.279 -19.523 326 2HD2 LEU 42 1HD2 LEU 42 20.981 -5.364 -19.773 327 3HD2 LEU 42 3HD2 LEU 42 20.092 -5.206 -18.258 328 HA PRO 43 HA PRO 43 13.029 -5.753 -20.286 329 1HB PRO 43 HB2 PRO 43 13.178 -8.014 -21.686 330 2HB PRO 43 HB1 PRO 43 13.191 -6.444 -22.498 331 1HG PRO 43 HG2 PRO 43 15.429 -8.336 -21.996 332 2HG PRO 43 HG1 PRO 43 15.173 -7.231 -23.355 333 1HD PRO 43 HD2 PRO 43 16.815 -6.799 -21.079 334 2HD PRO 43 HD1 PRO 43 16.405 -5.624 -22.343 335 H ALA 44 HN ALA 44 15.411 -6.331 -18.426 336 HA ALA 44 HA ALA 44 15.321 -9.038 -17.625 337 1HB ALA 44 HB1 ALA 44 16.143 -6.604 -16.048 338 2HB ALA 44 HB3 ALA 44 16.479 -8.278 -15.605 339 3HB ALA 44 HB2 ALA 44 17.189 -7.593 -17.067 340 H VAL 45 HN VAL 45 13.087 -6.502 -17.127 341 HA VAL 45 HA VAL 45 11.999 -6.815 -14.663 342 HB VAL 45 HB VAL 45 10.432 -6.493 -17.229 343 1HG1 VAL 45 3HG1 VAL 45 9.681 -6.059 -14.349 344 2HG1 VAL 45 2HG1 VAL 45 8.807 -5.309 -15.685 345 3HG1 VAL 45 1HG1 VAL 45 8.874 -7.066 -15.551 346 1HG2 VAL 45 1HG2 VAL 45 11.838 -4.542 -15.434 347 2HG2 VAL 45 3HG2 VAL 45 11.948 -4.716 -17.186 348 3HG2 VAL 45 2HG2 VAL 45 10.489 -4.046 -16.455 349 H ASP 46 HN ASP 46 11.130 -8.770 -17.516 350 HA ASP 46 HA ASP 46 9.355 -10.470 -16.090 351 1HB ASP 46 HB2 ASP 46 10.744 -11.001 -18.724 352 2HB ASP 46 HB1 ASP 46 9.313 -11.825 -18.112 353 H GLU 47 HN GLU 47 12.790 -10.636 -16.863 354 HA GLU 47 HA GLU 47 13.160 -13.368 -16.159 355 1HB GLU 47 HB2 GLU 47 15.037 -11.027 -16.407 356 2HB GLU 47 HB1 GLU 47 15.604 -12.607 -15.883 357 1HG GLU 47 HG2 GLU 47 16.019 -12.760 -18.112 358 2HG GLU 47 HG1 GLU 47 14.380 -13.407 -18.067 359 H LYS 48 HN LYS 48 13.370 -10.353 -14.323 360 HA LYS 48 HA LYS 48 14.459 -11.427 -11.959 361 1HB LYS 48 HB2 LYS 48 12.744 -8.983 -12.408 362 2HB LYS 48 HB1 LYS 48 13.510 -9.368 -10.875 363 1HG LYS 48 HG2 LYS 48 14.937 -8.851 -13.477 364 2HG LYS 48 HG1 LYS 48 14.795 -7.725 -12.127 365 1HD LYS 48 HD2 LYS 48 16.524 -8.661 -11.077 366 2HD LYS 48 HD1 LYS 48 15.821 -10.271 -11.235 367 1HE LYS 48 HE2 LYS 48 17.340 -8.856 -13.422 368 2HE LYS 48 HE1 LYS 48 18.059 -10.016 -12.307 369 1HZ LYS 48 HZ1 LYS 48 16.308 -11.615 -13.126 370 2HZ LYS 48 HZ3 LYS 48 15.991 -10.510 -14.367 371 3HZ LYS 48 HZ2 LYS 48 17.521 -11.216 -14.233 372 H LEU 49 HN LEU 49 11.211 -11.441 -13.219 373 HA LEU 49 HA LEU 49 9.801 -11.888 -10.816 374 1HB LEU 49 HB2 LEU 49 9.178 -12.692 -13.660 375 2HB LEU 49 HB1 LEU 49 8.064 -12.917 -12.326 376 HG LEU 49 HG LEU 49 9.146 -10.191 -12.959 377 1HD1 LEU 49 3HD1 LEU 49 8.054 -11.414 -14.973 378 2HD1 LEU 49 2HD1 LEU 49 6.551 -11.141 -14.094 379 3HD1 LEU 49 1HD1 LEU 49 7.553 -9.772 -14.575 380 1HD2 LEU 49 2HD2 LEU 49 7.981 -10.527 -10.834 381 2HD2 LEU 49 1HD2 LEU 49 7.069 -9.470 -11.911 382 3HD2 LEU 49 3HD2 LEU 49 6.578 -11.151 -11.702 383 H ARG 50 HN ARG 50 10.705 -14.228 -13.354 384 HA ARG 50 HA ARG 50 10.192 -16.517 -11.788 385 1HB ARG 50 HB2 ARG 50 10.626 -16.184 -14.394 386 2HB ARG 50 HB1 ARG 50 12.266 -16.612 -13.930 387 1HG ARG 50 HG2 ARG 50 11.200 -18.609 -14.602 388 2HG ARG 50 HG1 ARG 50 11.315 -18.667 -12.843 389 1HD ARG 50 HD2 ARG 50 8.860 -17.401 -13.677 390 2HD ARG 50 HD1 ARG 50 9.021 -18.997 -14.407 391 HE ARG 50 HE ARG 50 9.620 -19.472 -11.825 392 1HH1 ARG 50 1HH1 ARG 50 6.934 -17.811 -13.338 393 2HH1 ARG 50 2HH1 ARG 50 5.814 -18.225 -12.085 394 1HH2 ARG 50 1HH2 ARG 50 8.137 -20.017 -10.181 395 2HH2 ARG 50 2HH2 ARG 50 6.496 -19.477 -10.293 396 H ASP 51 HN ASP 51 12.980 -14.427 -12.144 397 HA ASP 51 HA ASP 51 14.987 -16.040 -11.072 398 1HB ASP 51 HB2 ASP 51 15.615 -13.971 -12.071 399 2HB ASP 51 HB1 ASP 51 14.564 -13.053 -11.000 400 H LEU 52 HN LEU 52 12.886 -13.713 -9.374 401 HA LEU 52 HA LEU 52 13.802 -14.505 -6.784 402 1HB LEU 52 HB2 LEU 52 12.466 -12.332 -7.768 403 2HB LEU 52 HB1 LEU 52 11.178 -13.192 -6.946 404 HG LEU 52 HG LEU 52 12.936 -13.265 -4.971 405 1HD1 LEU 52 3HD1 LEU 52 14.736 -12.234 -6.282 406 2HD1 LEU 52 2HD1 LEU 52 13.750 -10.787 -6.483 407 3HD1 LEU 52 1HD1 LEU 52 14.300 -11.263 -4.876 408 1HD2 LEU 52 2HD2 LEU 52 11.329 -10.819 -5.704 409 2HD2 LEU 52 1HD2 LEU 52 10.730 -12.244 -4.855 410 3HD2 LEU 52 3HD2 LEU 52 11.937 -11.208 -4.094 411 H TYR 53 HN TYR 53 11.405 -15.701 -8.966 412 HA TYR 53 HA TYR 53 9.659 -16.914 -7.089 413 1HB TYR 53 HB2 TYR 53 10.099 -17.048 -10.010 414 2HB TYR 53 HB1 TYR 53 9.392 -18.489 -9.291 415 HD1 TYR 53 HD1 TYR 53 8.479 -15.796 -11.062 416 HD2 TYR 53 HD2 TYR 53 7.566 -17.576 -7.307 417 HE1 TYR 53 HE1 TYR 53 6.271 -14.719 -11.094 418 HE2 TYR 53 HE2 TYR 53 5.354 -16.504 -7.330 419 HH TYR 53 HH TYR 53 4.501 -14.075 -8.826 420 H SER 54 HN SER 54 12.371 -18.202 -9.012 421 HA SER 54 HA SER 54 12.300 -20.816 -7.984 422 1HB SER 54 HB2 SER 54 14.703 -20.923 -8.756 423 2HB SER 54 HB1 SER 54 13.557 -20.394 -9.987 424 HG SER 54 HG SER 54 14.428 -18.456 -9.984 425 H LYS 55 HN LYS 55 14.081 -17.930 -6.934 426 HA LYS 55 HA LYS 55 15.563 -19.135 -4.869 427 1HB LYS 55 HB2 LYS 55 15.070 -16.472 -5.840 428 2HB LYS 55 HB1 LYS 55 14.974 -16.482 -4.085 429 1HG LYS 55 HG2 LYS 55 17.194 -17.551 -3.997 430 2HG LYS 55 HG1 LYS 55 17.288 -17.440 -5.756 431 1HD LYS 55 HD2 LYS 55 16.683 -14.951 -4.251 432 2HD LYS 55 HD1 LYS 55 18.327 -15.586 -4.153 433 1HE LYS 55 HE2 LYS 55 18.426 -14.148 -5.975 434 2HE LYS 55 HE1 LYS 55 18.194 -15.726 -6.723 435 1HZ LYS 55 HZ3 LYS 55 15.815 -14.138 -6.089 436 2HZ LYS 55 HZ2 LYS 55 16.755 -13.663 -7.412 437 3HZ LYS 55 HZ1 LYS 55 16.087 -15.216 -7.366 438 H SER 56 HN SER 56 12.449 -17.402 -4.785 439 HA SER 56 HA SER 56 11.985 -17.691 -2.031 440 1HB SER 56 HB2 SER 56 9.678 -17.068 -2.517 441 2HB SER 56 HB1 SER 56 10.789 -16.073 -3.456 442 HG SER 56 HG SER 56 8.975 -18.001 -4.295 443 H THR 57 HN THR 57 11.778 -20.090 -4.510 444 HA THR 57 HA THR 57 9.706 -21.694 -3.557 445 HB THR 57 HB THR 57 12.274 -22.667 -4.827 446 HG1 THR 57 HG1 THR 57 9.905 -21.659 -6.016 447 1HG2 THR 57 3HG2 THR 57 9.510 -23.845 -4.746 448 2HG2 THR 57 2HG2 THR 57 10.793 -24.391 -5.826 449 3HG2 THR 57 1HG2 THR 57 10.993 -24.529 -4.080 450 H ALA 58 HN ALA 58 13.203 -22.000 -2.882 451 HA ALA 58 HA ALA 58 12.648 -23.802 -0.666 452 1HB ALA 58 HB1 ALA 58 14.510 -24.302 -2.163 453 2HB ALA 58 HB3 ALA 58 15.279 -22.776 -1.725 454 3HB ALA 58 HB2 ALA 58 15.071 -24.040 -0.512 455 H ALA 59 HN ALA 59 14.011 -20.563 -1.177 456 HA ALA 59 HA ALA 59 14.734 -20.035 1.485 457 1HB ALA 59 HB1 ALA 59 14.847 -17.702 0.828 458 2HB ALA 59 HB2 ALA 59 13.931 -18.051 -0.638 459 3HB ALA 59 HB3 ALA 59 15.544 -18.730 -0.424 460 H MET 60 HN MET 60 11.877 -18.775 -0.267 461 HA MET 60 HA MET 60 10.637 -17.678 1.997 462 1HB MET 60 HB2 MET 60 10.164 -17.387 -0.576 463 2HB MET 60 HB1 MET 60 8.984 -18.659 -0.289 464 1HG MET 60 HG2 MET 60 7.805 -16.653 -0.070 465 2HG MET 60 HG1 MET 60 8.081 -17.212 1.578 466 1HE MET 60 HE3 MET 60 8.119 -15.529 3.113 467 2HE MET 60 HE2 MET 60 8.826 -13.918 2.993 468 3HE MET 60 HE1 MET 60 7.379 -14.318 2.067 469 H SER 61 HN SER 61 10.692 -20.973 0.845 470 HA SER 61 HA SER 61 8.329 -21.873 2.126 471 1HB SER 61 HB2 SER 61 9.399 -23.171 0.351 472 2HB SER 61 HB1 SER 61 10.817 -23.423 1.364 473 HG SER 61 HG SER 61 9.799 -24.964 2.373 474 H THR 62 HN THR 62 11.359 -20.941 3.400 475 HA THR 62 HA THR 62 11.017 -22.511 5.845 476 HB THR 62 HB THR 62 13.256 -20.559 5.382 477 HG1 THR 62 HG1 THR 62 13.660 -21.688 3.637 478 1HG2 THR 62 2HG2 THR 62 12.801 -22.018 7.530 479 2HG2 THR 62 1HG2 THR 62 13.626 -23.247 6.571 480 3HG2 THR 62 3HG2 THR 62 14.434 -21.721 6.932 481 H TYR 63 HN TYR 63 11.499 -19.125 4.851 482 HA TYR 63 HA TYR 63 10.923 -17.990 7.354 483 1HB TYR 63 HB2 TYR 63 12.163 -16.832 5.533 484 2HB TYR 63 HB1 TYR 63 10.658 -16.708 4.627 485 HD1 TYR 63 HD1 TYR 63 12.143 -15.786 7.926 486 HD2 TYR 63 HD2 TYR 63 9.330 -14.822 4.883 487 HE1 TYR 63 HE1 TYR 63 11.625 -13.678 9.080 488 HE2 TYR 63 HE2 TYR 63 8.806 -12.711 6.027 489 HH TYR 63 HH TYR 63 10.397 -11.172 7.874 490 H THR 64 HN THR 64 8.871 -19.351 4.940 491 HA THR 64 HA THR 64 6.570 -17.778 5.500 492 HB THR 64 HB THR 64 7.051 -20.368 4.082 493 HG1 THR 64 HG1 THR 64 7.050 -18.926 2.569 494 1HG2 THR 64 3HG2 THR 64 4.351 -19.377 4.936 495 2HG2 THR 64 2HG2 THR 64 4.589 -20.401 3.521 496 3HG2 THR 64 1HG2 THR 64 5.039 -20.991 5.121 497 H GLY 65 HN GLY 65 7.437 -21.093 6.456 498 1HA GLY 65 HA1 GLY 65 6.812 -22.331 8.292 499 2HA GLY 65 HA2 GLY 65 5.354 -21.345 8.362 500 H ILE 66 HN ILE 66 8.690 -20.219 8.529 501 HA ILE 66 HA ILE 66 8.881 -19.974 11.340 502 HB ILE 66 HB ILE 66 10.374 -18.596 9.109 503 1HG1 ILE 66 2HG1 ILE 66 11.385 -20.605 11.121 504 2HG1 ILE 66 1HG1 ILE 66 10.654 -21.090 9.594 505 1HG2 ILE 66 3HG2 ILE 66 10.672 -18.282 12.081 506 2HG2 ILE 66 2HG2 ILE 66 12.012 -17.989 10.973 507 3HG2 ILE 66 1HG2 ILE 66 10.538 -17.029 10.847 508 1HD1 ILE 66 1HD1 ILE 66 12.386 -19.781 8.408 509 2HD1 ILE 66 3HD1 ILE 66 13.149 -19.453 9.965 510 3HD1 ILE 66 2HD1 ILE 66 13.035 -21.110 9.371 511 H PHE 67 HN PHE 67 8.394 -17.441 8.870 512 HA PHE 67 HA PHE 67 7.902 -15.292 10.537 513 1HB PHE 67 HB2 PHE 67 8.153 -15.007 8.139 514 2HB PHE 67 HB1 PHE 67 6.656 -15.884 7.844 515 HD1 PHE 67 HD1 PHE 67 4.684 -14.716 7.590 516 HD2 PHE 67 HD2 PHE 67 7.950 -12.859 9.589 517 HE1 PHE 67 HE1 PHE 67 3.423 -12.606 7.681 518 HE2 PHE 67 HE2 PHE 67 6.695 -10.745 9.683 519 HZ PHE 67 HZ PHE 67 4.429 -10.617 8.729 520 H THR 68 HN THR 68 5.435 -17.413 9.080 521 HA THR 68 HA THR 68 3.262 -16.301 10.480 522 HB THR 68 HB THR 68 3.424 -19.103 9.372 523 HG1 THR 68 HG1 THR 68 2.873 -16.657 8.046 524 1HG2 THR 68 2HG2 THR 68 1.123 -17.244 9.879 525 2HG2 THR 68 1HG2 THR 68 1.018 -18.639 8.806 526 3HG2 THR 68 3HG2 THR 68 1.381 -18.867 10.516 527 H ASP 69 HN ASP 69 5.697 -18.492 11.482 528 HA ASP 69 HA ASP 69 4.358 -20.002 13.420 529 1HB ASP 69 HB2 ASP 69 6.848 -20.101 12.592 530 2HB ASP 69 HB1 ASP 69 7.140 -19.011 13.941 531 H GLN 70 HN GLN 70 6.230 -17.001 13.920 532 HA GLN 70 HA GLN 70 5.310 -16.634 16.586 533 1HB GLN 70 HB2 GLN 70 6.589 -14.650 14.696 534 2HB GLN 70 HB1 GLN 70 6.372 -14.412 16.423 535 1HG GLN 70 HG2 GLN 70 8.124 -16.448 15.068 536 2HG GLN 70 HG1 GLN 70 8.634 -15.053 16.017 537 1HE2 GLN 70 1HE2 GLN 70 7.553 -18.317 16.088 538 2HE2 GLN 70 2HE2 GLN 70 7.678 -18.552 17.795 539 H VAL 71 HN VAL 71 4.012 -15.781 13.495 540 HA VAL 71 HA VAL 71 2.343 -13.633 14.316 541 HB VAL 71 HB VAL 71 2.061 -15.531 11.972 542 1HG1 VAL 71 3HG1 VAL 71 0.530 -13.048 12.703 543 2HG1 VAL 71 2HG1 VAL 71 0.604 -13.666 11.053 544 3HG1 VAL 71 1HG1 VAL 71 -0.098 -14.653 12.334 545 1HG2 VAL 71 3HG2 VAL 71 4.042 -13.783 12.295 546 2HG2 VAL 71 2HG2 VAL 71 3.316 -14.105 10.721 547 3HG2 VAL 71 1HG2 VAL 71 2.825 -12.685 11.644 548 H LEU 72 HN LEU 72 1.705 -17.058 13.652 549 HA LEU 72 HA LEU 72 -0.939 -17.151 14.564 550 1HB LEU 72 HB2 LEU 72 1.215 -19.262 14.450 551 2HB LEU 72 HB1 LEU 72 -0.424 -19.613 14.962 552 HG LEU 72 HG LEU 72 0.108 -18.358 12.288 553 1HD1 LEU 72 1HD1 LEU 72 0.128 -21.303 12.932 554 2HD1 LEU 72 3HD1 LEU 72 0.103 -20.608 11.311 555 3HD1 LEU 72 2HD1 LEU 72 1.496 -20.347 12.362 556 1HD2 LEU 72 1HD2 LEU 72 -2.188 -18.372 13.146 557 2HD2 LEU 72 3HD2 LEU 72 -2.018 -19.400 11.723 558 3HD2 LEU 72 2HD2 LEU 72 -2.105 -20.124 13.329 559 H SER 73 HN SER 73 2.156 -17.336 16.209 560 HA SER 73 HA SER 73 1.275 -18.236 18.705 561 1HB SER 73 HB2 SER 73 3.429 -17.956 19.333 562 2HB SER 73 HB1 SER 73 3.713 -17.524 17.650 563 HG SER 73 HG SER 73 3.746 -15.419 18.178 564 H VAL 74 HN VAL 74 1.315 -14.979 17.343 565 HA VAL 74 HA VAL 74 0.513 -13.722 19.785 566 HB VAL 74 HB VAL 74 0.280 -11.706 18.605 567 1HG1 VAL 74 1HG1 VAL 74 2.582 -13.093 18.470 568 2HG1 VAL 74 3HG1 VAL 74 2.302 -12.780 16.758 569 3HG1 VAL 74 2HG1 VAL 74 2.395 -11.436 17.896 570 1HG2 VAL 74 3HG2 VAL 74 -0.822 -13.306 16.545 571 2HG2 VAL 74 2HG2 VAL 74 -0.792 -11.548 16.670 572 3HG2 VAL 74 1HG2 VAL 74 0.520 -12.397 15.853 573 H LEU 75 HN LEU 75 -1.149 -15.573 17.442 574 HA LEU 75 HA LEU 75 -3.726 -14.419 17.618 575 1HB LEU 75 HB2 LEU 75 -2.814 -16.177 15.948 576 2HB LEU 75 HB1 LEU 75 -3.255 -17.349 17.176 577 HG LEU 75 HG LEU 75 -5.604 -16.359 17.075 578 1HD1 LEU 75 1HD1 LEU 75 -4.467 -15.159 14.554 579 2HD1 LEU 75 3HD1 LEU 75 -6.181 -15.241 14.958 580 3HD1 LEU 75 2HD1 LEU 75 -5.087 -14.281 15.953 581 1HD2 LEU 75 2HD2 LEU 75 -4.479 -17.756 14.651 582 2HD2 LEU 75 1HD2 LEU 75 -5.051 -18.527 16.130 583 3HD2 LEU 75 3HD2 LEU 75 -6.185 -17.672 15.086 584 H LYS 76 HN LYS 76 -2.010 -16.803 19.495 585 HA LYS 76 HA LYS 76 -4.217 -17.595 21.120 586 1HB LYS 76 HB2 LYS 76 -1.237 -17.849 21.565 587 2HB LYS 76 HB1 LYS 76 -2.459 -18.594 22.586 588 1HG LYS 76 HG2 LYS 76 -3.282 -19.620 20.315 589 2HG LYS 76 HG1 LYS 76 -1.624 -19.282 19.814 590 1HD LYS 76 HD2 LYS 76 -1.376 -21.405 20.642 591 2HD LYS 76 HD1 LYS 76 -1.044 -20.461 22.097 592 1HE LYS 76 HE2 LYS 76 -3.456 -20.711 22.707 593 2HE LYS 76 HE1 LYS 76 -3.630 -21.816 21.344 594 1HZ LYS 76 HZ1 LYS 76 -1.809 -22.202 23.659 595 2HZ LYS 76 HZ3 LYS 76 -3.273 -23.011 23.410 596 3HZ LYS 76 HZ2 LYS 76 -1.976 -23.262 22.353 597 H GLY 77 HN GLY 77 -1.597 -15.231 21.510 598 1HA GLY 77 HA1 GLY 77 -1.230 -13.612 23.101 599 2HA GLY 77 HA2 GLY 77 -2.279 -14.514 24.182 600 H GLU 78 HN GLU 78 -2.694 -12.701 21.127 601 HA GLU 78 HA GLU 78 -4.546 -10.890 22.439 602 1HB GLU 78 HB2 GLU 78 -3.542 -10.960 19.587 603 2HB GLU 78 HB1 GLU 78 -4.551 -9.695 20.273 604 1HG GLU 78 HG2 GLU 78 -2.636 -8.643 20.694 605 2HG GLU 78 HG1 GLU 78 -2.464 -9.777 22.033 606 H GLU 79 HN GLU 79 -4.685 -12.753 19.391 607 HA GLU 79 HA GLU 79 -6.336 -14.006 18.451 608 1HB GLU 79 HB2 GLU 79 -6.835 -14.426 21.070 609 2HB GLU 79 HB1 GLU 79 -8.321 -13.602 20.617 610 1HG GLU 79 HG2 GLU 79 -7.219 -16.174 19.530 611 2HG GLU 79 HG1 GLU 79 -8.731 -15.911 20.396 No H/Q in entry = 611 Start of MODEL 34 1 H1 THR 1 HT2 THR 1 33.084 -5.907 35.538 2 H2 THR 1 HT1 THR 1 31.820 -6.869 36.190 3 H3 THR 1 HT3 THR 1 32.979 -7.574 35.141 4 HA THR 1 HA THR 1 32.227 -6.235 33.343 5 HB THR 1 HB THR 1 29.996 -7.685 34.792 6 HG1 THR 1 HG1 THR 1 31.319 -9.292 34.523 7 1HG2 THR 1 2HG2 THR 1 30.348 -6.970 31.901 8 2HG2 THR 1 1HG2 THR 1 29.303 -8.284 32.439 9 3HG2 THR 1 3HG2 THR 1 28.978 -6.631 32.959 10 H GLN 2 HN GLN 2 31.575 -4.259 32.806 11 HA GLN 2 HA GLN 2 29.856 -2.774 34.672 12 1HB GLN 2 HB2 GLN 2 31.838 -1.895 32.580 13 2HB GLN 2 HB1 GLN 2 30.663 -0.780 33.264 14 1HG GLN 2 HG2 GLN 2 32.619 -0.453 34.500 15 2HG GLN 2 HG1 GLN 2 31.578 -1.428 35.534 16 1HE2 GLN 2 1HE2 GLN 2 34.212 -1.691 33.178 17 2HE2 GLN 2 2HE2 GLN 2 34.965 -3.060 33.914 18 H GLN 3 HN GLN 3 28.395 -4.527 33.328 19 HA GLN 3 HA GLN 3 26.921 -2.873 31.403 20 1HB GLN 3 HB2 GLN 3 27.775 -5.743 31.021 21 2HB GLN 3 HB1 GLN 3 26.480 -5.006 30.090 22 1HG GLN 3 HG2 GLN 3 28.082 -4.481 28.635 23 2HG GLN 3 HG1 GLN 3 28.492 -3.196 29.770 24 1HE2 GLN 3 1HE2 GLN 3 30.540 -3.108 30.369 25 2HE2 GLN 3 2HE2 GLN 3 31.662 -4.421 30.351 26 HA PRO 4 HA PRO 4 23.331 -4.142 33.637 27 1HB PRO 4 HB2 PRO 4 21.430 -4.238 31.709 28 2HB PRO 4 HB1 PRO 4 22.128 -2.720 32.283 29 1HG PRO 4 HG2 PRO 4 22.782 -4.298 29.825 30 2HG PRO 4 HG1 PRO 4 22.586 -2.545 30.010 31 1HD PRO 4 HD2 PRO 4 25.013 -3.757 29.918 32 2HD PRO 4 HD1 PRO 4 24.714 -2.267 30.835 33 H GLN 5 HN GLN 5 24.354 -6.278 34.047 34 HA GLN 5 HA GLN 5 23.730 -8.515 32.386 35 1HB GLN 5 HB2 GLN 5 24.595 -8.503 35.285 36 2HB GLN 5 HB1 GLN 5 24.649 -9.876 34.189 37 1HG GLN 5 HG2 GLN 5 26.252 -7.340 33.932 38 2HG GLN 5 HG1 GLN 5 26.850 -8.900 34.491 39 1HE2 GLN 5 1HE2 GLN 5 25.935 -6.992 31.758 40 2HE2 GLN 5 2HE2 GLN 5 26.466 -8.098 30.543 41 H GLN 6 HN GLN 6 22.613 -7.671 35.681 42 HA GLN 6 HA GLN 6 20.518 -9.583 35.675 43 1HB GLN 6 HB2 GLN 6 21.155 -7.215 37.418 44 2HB GLN 6 HB1 GLN 6 19.681 -8.145 37.650 45 1HG GLN 6 HG2 GLN 6 20.880 -10.095 38.207 46 2HG GLN 6 HG1 GLN 6 22.401 -9.414 37.633 47 1HE2 GLN 6 1HE2 GLN 6 20.013 -9.365 40.182 48 2HE2 GLN 6 2HE2 GLN 6 21.002 -8.574 41.357 49 H ASP 7 HN ASP 7 20.093 -6.046 35.930 50 HA ASP 7 HA ASP 7 17.451 -6.162 34.867 51 1HB ASP 7 HB2 ASP 7 18.241 -4.432 36.493 52 2HB ASP 7 HB1 ASP 7 19.212 -3.724 35.205 53 H GLU 8 HN GLU 8 17.199 -6.785 32.800 54 HA GLU 8 HA GLU 8 19.053 -6.184 30.724 55 1HB GLU 8 HB2 GLU 8 16.557 -7.673 31.003 56 2HB GLU 8 HB1 GLU 8 16.669 -6.834 29.462 57 1HG GLU 8 HG2 GLU 8 17.521 -9.181 29.463 58 2HG GLU 8 HG1 GLU 8 18.663 -7.969 28.883 59 H MET 9 HN MET 9 18.798 -4.808 28.926 60 HA MET 9 HA MET 9 17.703 -2.258 29.533 61 1HB MET 9 HB2 MET 9 19.707 -2.628 28.099 62 2HB MET 9 HB1 MET 9 18.655 -3.287 26.854 63 1HG MET 9 HG2 MET 9 19.126 -1.045 26.267 64 2HG MET 9 HG1 MET 9 17.455 -1.096 26.825 65 1HE MET 9 HE3 MET 9 17.680 1.591 26.895 66 2HE MET 9 HE2 MET 9 16.616 0.881 28.109 67 3HE MET 9 HE1 MET 9 17.719 2.182 28.557 68 HA PRO 10 HA PRO 10 13.503 -3.270 28.270 69 1HB PRO 10 HB2 PRO 10 13.097 -0.372 28.686 70 2HB PRO 10 HB1 PRO 10 12.273 -1.742 29.437 71 1HG PRO 10 HG2 PRO 10 14.017 -0.246 30.809 72 2HG PRO 10 HG1 PRO 10 13.897 -1.997 31.065 73 1HD PRO 10 HD2 PRO 10 15.928 -0.443 29.505 74 2HD PRO 10 HD1 PRO 10 16.159 -1.835 30.585 75 H SER 11 HN SER 11 15.035 -0.222 27.193 76 HA SER 11 HA SER 11 13.478 -0.059 24.804 77 1HB SER 11 HB2 SER 11 16.027 1.372 25.593 78 2HB SER 11 HB1 SER 11 15.035 1.775 24.192 79 HG SER 11 HG SER 11 14.553 2.197 26.904 80 HA PRO 12 HA PRO 12 15.821 -3.087 22.487 81 1HB PRO 12 HB2 PRO 12 14.439 -1.893 20.168 82 2HB PRO 12 HB1 PRO 12 14.422 -3.559 20.750 83 1HG PRO 12 HG2 PRO 12 12.290 -1.963 21.030 84 2HG PRO 12 HG1 PRO 12 12.729 -3.152 22.270 85 1HD PRO 12 HD2 PRO 12 13.184 -0.192 22.233 86 2HD PRO 12 HD1 PRO 12 12.684 -1.238 23.577 87 H THR 13 HN THR 13 17.847 -2.887 21.795 88 HA THR 13 HA THR 13 18.968 -0.358 21.100 89 HB THR 13 HB THR 13 21.034 -1.741 20.606 90 HG1 THR 13 HG1 THR 13 20.459 -3.737 20.157 91 1HG2 THR 13 3HG2 THR 13 20.660 -0.801 22.836 92 2HG2 THR 13 2HG2 THR 13 19.772 -2.257 23.287 93 3HG2 THR 13 1HG2 THR 13 21.488 -2.357 22.892 94 H PHE 14 HN PHE 14 18.074 -3.248 19.246 95 HA PHE 14 HA PHE 14 19.137 -2.333 16.777 96 1HB PHE 14 HB2 PHE 14 18.303 -4.734 17.592 97 2HB PHE 14 HB1 PHE 14 16.832 -4.214 16.774 98 HD1 PHE 14 HD1 PHE 14 16.780 -3.905 14.379 99 HD2 PHE 14 HD2 PHE 14 20.347 -5.125 16.355 100 HE1 PHE 14 HE1 PHE 14 17.757 -4.545 12.214 101 HE2 PHE 14 HE2 PHE 14 21.329 -5.767 14.194 102 HZ PHE 14 HZ PHE 14 20.034 -5.477 12.119 103 H LEU 15 HN LEU 15 16.017 -1.934 18.364 104 HA LEU 15 HA LEU 15 14.555 -1.006 16.143 105 1HB LEU 15 HB2 LEU 15 13.711 -1.691 18.470 106 2HB LEU 15 HB1 LEU 15 14.117 -0.060 18.967 107 HG LEU 15 HG LEU 15 12.371 -0.367 16.579 108 1HD1 LEU 15 3HD1 LEU 15 11.470 -2.003 18.184 109 2HD1 LEU 15 2HD1 LEU 15 11.357 -0.725 19.394 110 3HD1 LEU 15 1HD1 LEU 15 10.384 -0.638 17.925 111 1HD2 LEU 15 3HD2 LEU 15 12.545 1.547 18.899 112 2HD2 LEU 15 2HD2 LEU 15 12.985 1.849 17.218 113 3HD2 LEU 15 1HD2 LEU 15 11.294 1.617 17.659 114 H THR 16 HN THR 16 16.039 0.898 18.787 115 HA THR 16 HA THR 16 15.682 3.413 17.619 116 HB THR 16 HB THR 16 16.276 3.071 19.988 117 HG1 THR 16 HG1 THR 16 16.720 5.096 19.527 118 1HG2 THR 16 2HG2 THR 16 17.969 1.330 19.769 119 2HG2 THR 16 1HG2 THR 16 19.054 2.483 18.992 120 3HG2 THR 16 3HG2 THR 16 18.573 2.718 20.673 121 H GLN 17 HN GLN 17 18.111 0.968 17.047 122 HA GLN 17 HA GLN 17 20.090 2.532 15.819 123 1HB GLN 17 HB2 GLN 17 20.462 0.223 16.555 124 2HB GLN 17 HB1 GLN 17 19.362 -0.359 15.316 125 1HG GLN 17 HG2 GLN 17 21.575 1.299 14.330 126 2HG GLN 17 HG1 GLN 17 22.050 -0.234 15.059 127 1HE2 GLN 17 1HE2 GLN 17 20.563 -2.114 14.308 128 2HE2 GLN 17 2HE2 GLN 17 20.294 -2.193 12.604 129 H VAL 18 HN VAL 18 17.061 1.277 14.603 130 HA VAL 18 HA VAL 18 17.105 1.052 11.985 131 HB VAL 18 HB VAL 18 15.029 1.188 13.303 132 1HG1 VAL 18 3HG1 VAL 18 15.667 3.405 14.384 133 2HG1 VAL 18 2HG1 VAL 18 15.083 4.165 12.904 134 3HG1 VAL 18 1HG1 VAL 18 13.984 3.205 13.895 135 1HG2 VAL 18 1HG2 VAL 18 15.074 1.226 10.798 136 2HG2 VAL 18 3HG2 VAL 18 13.628 1.924 11.525 137 3HG2 VAL 18 2HG2 VAL 18 14.890 2.978 10.885 138 H LYS 19 HN LYS 19 17.369 4.279 13.491 139 HA LYS 19 HA LYS 19 17.343 5.859 11.232 140 1HB LYS 19 HB2 LYS 19 18.661 6.130 13.903 141 2HB LYS 19 HB1 LYS 19 19.026 7.307 12.650 142 1HG LYS 19 HG2 LYS 19 17.275 8.389 13.556 143 2HG LYS 19 HG1 LYS 19 16.346 7.319 12.505 144 1HD LYS 19 HD2 LYS 19 16.464 5.699 14.566 145 2HD LYS 19 HD1 LYS 19 16.766 7.190 15.459 146 1HE LYS 19 HE2 LYS 19 14.476 7.035 13.543 147 2HE LYS 19 HE1 LYS 19 14.327 6.321 15.148 148 1HZ LYS 19 HZ3 LYS 19 15.027 9.154 14.586 149 2HZ LYS 19 HZ2 LYS 19 13.512 8.600 15.093 150 3HZ LYS 19 HZ1 LYS 19 14.848 8.464 16.121 151 H GLU 20 HN GLU 20 20.212 4.415 12.772 152 HA GLU 20 HA GLU 20 22.060 5.308 10.837 153 1HB GLU 20 HB2 GLU 20 22.263 2.881 12.627 154 2HB GLU 20 HB1 GLU 20 23.599 3.672 11.805 155 1HG GLU 20 HG2 GLU 20 23.887 4.732 13.747 156 2HG GLU 20 HG1 GLU 20 22.549 5.745 13.205 157 H SER 21 HN SER 21 19.917 2.579 10.967 158 HA SER 21 HA SER 21 21.120 0.943 9.014 159 1HB SER 21 HB2 SER 21 18.902 0.740 10.649 160 2HB SER 21 HB1 SER 21 18.191 0.845 9.038 161 HG SER 21 HG SER 21 19.055 -1.032 8.516 162 H LEU 22 HN LEU 22 18.808 3.606 8.780 163 HA LEU 22 HA LEU 22 18.322 3.313 5.989 164 1HB LEU 22 HB2 LEU 22 17.622 5.235 8.107 165 2HB LEU 22 HB1 LEU 22 17.747 5.931 6.502 166 HG LEU 22 HG LEU 22 15.451 5.318 6.971 167 1HD1 LEU 22 3HD1 LEU 22 16.558 4.961 4.670 168 2HD1 LEU 22 2HD1 LEU 22 16.413 3.243 5.040 169 3HD1 LEU 22 1HD1 LEU 22 14.969 4.254 4.966 170 1HD2 LEU 22 1HD2 LEU 22 15.969 3.529 8.609 171 2HD2 LEU 22 3HD2 LEU 22 14.763 3.057 7.413 172 3HD2 LEU 22 2HD2 LEU 22 16.423 2.479 7.266 173 H SER 23 HN SER 23 20.629 5.173 7.910 174 HA SER 23 HA SER 23 21.607 6.853 5.897 175 1HB SER 23 HB2 SER 23 23.150 5.685 8.227 176 2HB SER 23 HB1 SER 23 23.602 7.112 7.295 177 HG SER 23 HG SER 23 21.669 6.805 9.258 178 H SER 24 HN SER 24 22.773 3.662 6.955 179 HA SER 24 HA SER 24 24.833 3.443 5.037 180 1HB SER 24 HB2 SER 24 23.306 1.296 6.526 181 2HB SER 24 HB1 SER 24 24.760 1.006 5.571 182 HG SER 24 HG SER 24 24.468 2.242 8.046 183 H TYR 25 HN TYR 25 21.419 3.139 4.767 184 HA TYR 25 HA TYR 25 21.445 1.440 2.439 185 1HB TYR 25 HB2 TYR 25 19.493 1.275 3.785 186 2HB TYR 25 HB1 TYR 25 19.285 3.022 3.833 187 HD1 TYR 25 HD1 TYR 25 19.293 0.164 1.432 188 HD2 TYR 25 HD2 TYR 25 17.787 4.030 2.374 189 HE1 TYR 25 HE1 TYR 25 17.763 0.030 -0.489 190 HE2 TYR 25 HE2 TYR 25 16.252 3.906 0.457 191 HH TYR 25 HH TYR 25 16.446 2.342 -1.958 192 H TRP 26 HN TRP 26 21.158 4.904 3.113 193 HA TRP 26 HA TRP 26 20.557 5.744 0.488 194 1HB TRP 26 HB2 TRP 26 22.029 7.287 2.636 195 2HB TRP 26 HB1 TRP 26 21.233 7.974 1.224 196 HD1 TRP 26 HD1 TRP 26 20.635 7.979 4.661 197 HE1 TRP 26 HE1 TRP 26 18.140 7.933 5.288 198 HE3 TRP 26 HE3 TRP 26 18.705 6.382 0.202 199 HZ2 TRP 26 HZ2 TRP 26 15.680 7.306 4.054 200 HZ3 TRP 26 HZ3 TRP 26 16.271 6.087 0.010 201 HH2 TRP 26 HH2 TRP 26 14.790 6.540 1.898 202 H GLU 27 HN GLU 27 23.602 5.189 2.161 203 HA GLU 27 HA GLU 27 25.507 6.286 0.582 204 1HB GLU 27 HB2 GLU 27 25.364 3.807 2.193 205 2HB GLU 27 HB1 GLU 27 26.668 3.875 1.015 206 1HG GLU 27 HG2 GLU 27 27.852 5.245 2.288 207 2HG GLU 27 HG1 GLU 27 26.489 6.345 2.488 208 H SER 28 HN SER 28 24.219 3.005 0.052 209 HA SER 28 HA SER 28 25.235 3.026 -2.680 210 1HB SER 28 HB2 SER 28 24.491 0.640 -2.698 211 2HB SER 28 HB1 SER 28 25.643 1.007 -1.415 212 HG SER 28 HG SER 28 22.908 0.428 -1.249 213 H ALA 29 HN ALA 29 22.427 4.041 -1.183 214 HA ALA 29 HA ALA 29 20.390 3.021 -2.829 215 1HB ALA 29 HB1 ALA 29 19.842 4.168 -0.788 216 2HB ALA 29 HB2 ALA 29 19.093 5.017 -2.138 217 3HB ALA 29 HB3 ALA 29 20.552 5.665 -1.390 218 H LYS 30 HN LYS 30 22.531 5.815 -3.257 219 HA LYS 30 HA LYS 30 21.303 7.035 -5.416 220 1HB LYS 30 HB2 LYS 30 24.073 6.924 -4.377 221 2HB LYS 30 HB1 LYS 30 23.894 7.456 -6.043 222 1HG LYS 30 HG2 LYS 30 22.166 8.692 -3.961 223 2HG LYS 30 HG1 LYS 30 23.864 9.164 -4.052 224 1HD LYS 30 HD2 LYS 30 23.451 10.473 -5.805 225 2HD LYS 30 HD1 LYS 30 22.730 9.125 -6.686 226 1HE LYS 30 HE2 LYS 30 21.154 10.515 -4.563 227 2HE LYS 30 HE1 LYS 30 21.322 11.262 -6.151 228 1HZ LYS 30 HZ3 LYS 30 20.509 9.082 -7.074 229 2HZ LYS 30 HZ2 LYS 30 20.093 8.649 -5.493 230 3HZ LYS 30 HZ1 LYS 30 19.363 9.989 -6.220 231 H THR 31 HN THR 31 23.767 4.471 -5.532 232 HA THR 31 HA THR 31 24.021 4.143 -8.253 233 HB THR 31 HB THR 31 23.865 1.810 -6.340 234 HG1 THR 31 HG1 THR 31 25.379 2.786 -5.275 235 1HG2 THR 31 2HG2 THR 31 25.566 2.302 -8.772 236 2HG2 THR 31 1HG2 THR 31 25.697 0.912 -7.694 237 3HG2 THR 31 3HG2 THR 31 24.226 1.163 -8.635 238 H ALA 32 HN ALA 32 21.499 2.989 -6.091 239 HA ALA 32 HA ALA 32 20.113 1.361 -7.933 240 1HB ALA 32 HB1 ALA 32 18.636 2.850 -5.810 241 2HB ALA 32 HB3 ALA 32 18.468 1.175 -6.337 242 3HB ALA 32 HB2 ALA 32 19.841 1.653 -5.340 243 H ALA 33 HN ALA 33 19.799 4.809 -7.091 244 HA ALA 33 HA ALA 33 17.563 5.485 -8.556 245 1HB ALA 33 HB1 ALA 33 18.947 6.983 -7.047 246 2HB ALA 33 HB3 ALA 33 19.993 7.249 -8.440 247 3HB ALA 33 HB2 ALA 33 18.298 7.729 -8.507 248 H GLN 34 HN GLN 34 20.916 5.559 -9.743 249 HA GLN 34 HA GLN 34 20.209 6.154 -12.414 250 1HB GLN 34 HB2 GLN 34 22.689 4.829 -11.293 251 2HB GLN 34 HB1 GLN 34 22.520 5.364 -12.959 252 1HG GLN 34 HG2 GLN 34 23.583 7.174 -12.122 253 2HG GLN 34 HG1 GLN 34 21.926 7.656 -11.767 254 1HE2 GLN 34 1HE2 GLN 34 21.655 8.438 -9.804 255 2HE2 GLN 34 2HE2 GLN 34 22.555 7.998 -8.397 256 H ASN 35 HN ASN 35 20.669 3.159 -10.628 257 HA ASN 35 HA ASN 35 20.554 1.381 -12.811 258 1HB ASN 35 HB2 ASN 35 21.140 0.980 -10.269 259 2HB ASN 35 HB1 ASN 35 19.427 0.584 -10.159 260 1HD2 ASN 35 1HD2 ASN 35 18.630 -1.208 -11.305 261 2HD2 ASN 35 2HD2 ASN 35 19.683 -2.456 -11.871 262 H LEU 36 HN LEU 36 18.075 3.109 -11.125 263 HA LEU 36 HA LEU 36 15.818 1.589 -11.757 264 1HB LEU 36 HB2 LEU 36 16.012 3.710 -10.285 265 2HB LEU 36 HB1 LEU 36 15.833 4.602 -11.783 266 HG LEU 36 HG LEU 36 13.783 2.534 -11.247 267 1HD1 LEU 36 2HD1 LEU 36 14.070 3.500 -9.025 268 2HD1 LEU 36 1HD1 LEU 36 13.883 5.119 -9.698 269 3HD1 LEU 36 3HD1 LEU 36 12.532 3.988 -9.739 270 1HD2 LEU 36 1HD2 LEU 36 13.707 5.376 -12.254 271 2HD2 LEU 36 3HD2 LEU 36 13.677 3.912 -13.239 272 3HD2 LEU 36 2HD2 LEU 36 12.324 4.286 -12.171 273 H TYR 37 HN TYR 37 17.504 4.161 -13.461 274 HA TYR 37 HA TYR 37 15.899 4.170 -15.798 275 1HB TYR 37 HB2 TYR 37 18.619 5.191 -15.082 276 2HB TYR 37 HB1 TYR 37 18.180 5.099 -16.784 277 HD1 TYR 37 HD1 TYR 37 16.398 6.506 -17.687 278 HD2 TYR 37 HD2 TYR 37 17.561 6.787 -13.605 279 HE1 TYR 37 HE1 TYR 37 15.207 8.649 -17.502 280 HE2 TYR 37 HE2 TYR 37 16.371 8.929 -13.408 281 HH TYR 37 HH TYR 37 15.643 10.836 -15.574 282 H GLU 38 HN GLU 38 18.696 2.325 -14.755 283 HA GLU 38 HA GLU 38 19.473 1.185 -17.174 284 1HB GLU 38 HB2 GLU 38 19.885 0.558 -14.329 285 2HB GLU 38 HB1 GLU 38 20.042 -0.816 -15.411 286 1HG GLU 38 HG2 GLU 38 22.198 0.000 -15.273 287 2HG GLU 38 HG1 GLU 38 21.601 0.701 -16.777 288 H LYS 39 HN LYS 39 17.327 -0.242 -14.724 289 HA LYS 39 HA LYS 39 16.644 -2.500 -16.279 290 1HB LYS 39 HB2 LYS 39 14.936 -2.922 -14.603 291 2HB LYS 39 HB1 LYS 39 16.442 -2.446 -13.834 292 1HG LYS 39 HG2 LYS 39 15.518 -0.656 -12.882 293 2HG LYS 39 HG1 LYS 39 14.680 -0.190 -14.363 294 1HD LYS 39 HD2 LYS 39 13.693 -2.544 -12.819 295 2HD LYS 39 HD1 LYS 39 13.337 -0.921 -12.227 296 1HE LYS 39 HE2 LYS 39 11.552 -1.056 -13.582 297 2HE LYS 39 HE1 LYS 39 12.707 -0.670 -14.857 298 1HZ LYS 39 HZ3 LYS 39 11.996 -3.437 -14.047 299 2HZ LYS 39 HZ2 LYS 39 11.278 -2.617 -15.339 300 3HZ LYS 39 HZ1 LYS 39 12.931 -2.974 -15.379 301 H THR 40 HN THR 40 15.784 0.691 -16.818 302 HA THR 40 HA THR 40 13.051 0.312 -17.576 303 HB THR 40 HB THR 40 14.949 2.508 -18.421 304 HG1 THR 40 HG1 THR 40 14.220 3.610 -16.647 305 1HG2 THR 40 1HG2 THR 40 11.944 2.407 -18.377 306 2HG2 THR 40 3HG2 THR 40 12.901 3.869 -18.618 307 3HG2 THR 40 2HG2 THR 40 12.985 2.556 -19.793 308 H TYR 41 HN TYR 41 16.011 0.814 -19.469 309 HA TYR 41 HA TYR 41 14.834 0.253 -21.976 310 1HB TYR 41 HB2 TYR 41 16.987 1.511 -21.578 311 2HB TYR 41 HB1 TYR 41 17.758 -0.041 -21.275 312 HD1 TYR 41 HD1 TYR 41 16.031 1.985 -23.847 313 HD2 TYR 41 HD2 TYR 41 18.428 -1.444 -23.069 314 HE1 TYR 41 HE1 TYR 41 16.425 1.720 -26.259 315 HE2 TYR 41 HE2 TYR 41 18.829 -1.717 -25.478 316 HH TYR 41 HH TYR 41 17.199 -0.739 -27.739 317 H LEU 42 HN LEU 42 16.734 -1.772 -19.747 318 HA LEU 42 HA LEU 42 16.568 -4.079 -21.456 319 1HB LEU 42 HB2 LEU 42 17.649 -3.559 -18.710 320 2HB LEU 42 HB1 LEU 42 17.460 -5.206 -19.282 321 HG LEU 42 HG LEU 42 19.729 -4.540 -19.649 322 1HD1 LEU 42 2HD1 LEU 42 18.510 -5.846 -21.435 323 2HD1 LEU 42 1HD1 LEU 42 18.401 -4.335 -22.338 324 3HD1 LEU 42 3HD1 LEU 42 19.979 -5.016 -21.946 325 1HD2 LEU 42 2HD2 LEU 42 19.261 -2.086 -19.623 326 2HD2 LEU 42 1HD2 LEU 42 20.393 -2.602 -20.872 327 3HD2 LEU 42 3HD2 LEU 42 18.723 -2.228 -21.296 328 HA PRO 43 HA PRO 43 12.768 -5.640 -19.743 329 1HB PRO 43 HB2 PRO 43 12.630 -7.928 -21.100 330 2HB PRO 43 HB1 PRO 43 12.543 -6.372 -21.933 331 1HG PRO 43 HG2 PRO 43 14.807 -8.297 -21.748 332 2HG PRO 43 HG1 PRO 43 14.331 -7.249 -23.093 333 1HD PRO 43 HD2 PRO 43 16.357 -6.741 -21.196 334 2HD PRO 43 HD1 PRO 43 15.687 -5.585 -22.362 335 H ALA 44 HN ALA 44 15.269 -6.144 -18.157 336 HA ALA 44 HA ALA 44 15.384 -8.843 -17.335 337 1HB ALA 44 HB1 ALA 44 16.214 -6.370 -15.824 338 2HB ALA 44 HB3 ALA 44 16.698 -8.026 -15.454 339 3HB ALA 44 HB2 ALA 44 17.214 -7.272 -16.963 340 H VAL 45 HN VAL 45 13.087 -6.401 -16.655 341 HA VAL 45 HA VAL 45 12.280 -6.963 -14.064 342 HB VAL 45 HB VAL 45 11.435 -5.048 -15.367 343 1HG1 VAL 45 2HG1 VAL 45 11.060 -6.391 -17.474 344 2HG1 VAL 45 1HG1 VAL 45 9.560 -6.957 -16.739 345 3HG1 VAL 45 3HG1 VAL 45 9.794 -5.238 -17.055 346 1HG2 VAL 45 1HG2 VAL 45 10.267 -5.919 -13.332 347 2HG2 VAL 45 3HG2 VAL 45 9.238 -5.010 -14.439 348 3HG2 VAL 45 2HG2 VAL 45 9.159 -6.771 -14.407 349 H ASP 46 HN ASP 46 11.341 -8.540 -17.096 350 HA ASP 46 HA ASP 46 9.429 -10.286 -15.899 351 1HB ASP 46 HB2 ASP 46 10.880 -10.718 -18.515 352 2HB ASP 46 HB1 ASP 46 9.317 -11.374 -18.035 353 H GLU 47 HN GLU 47 12.868 -10.522 -16.666 354 HA GLU 47 HA GLU 47 13.118 -13.306 -16.144 355 1HB GLU 47 HB2 GLU 47 14.794 -12.121 -17.451 356 2HB GLU 47 HB1 GLU 47 15.180 -11.093 -16.079 357 1HG GLU 47 HG2 GLU 47 16.847 -12.857 -16.465 358 2HG GLU 47 HG1 GLU 47 16.100 -12.954 -14.872 359 H LYS 48 HN LYS 48 13.693 -10.423 -14.148 360 HA LYS 48 HA LYS 48 14.601 -11.749 -11.846 361 1HB LYS 48 HB2 LYS 48 13.379 -9.060 -12.355 362 2HB LYS 48 HB1 LYS 48 13.666 -9.594 -10.704 363 1HG LYS 48 HG2 LYS 48 15.824 -9.571 -12.794 364 2HG LYS 48 HG1 LYS 48 15.466 -8.179 -11.770 365 1HD LYS 48 HD2 LYS 48 16.789 -9.051 -10.209 366 2HD LYS 48 HD1 LYS 48 15.646 -10.385 -10.042 367 1HE LYS 48 HE2 LYS 48 16.826 -11.687 -11.665 368 2HE LYS 48 HE1 LYS 48 17.858 -10.322 -12.087 369 1HZ LYS 48 HZ1 LYS 48 18.807 -10.400 -9.863 370 2HZ LYS 48 HZ3 LYS 48 17.814 -11.711 -9.460 371 3HZ LYS 48 HZ2 LYS 48 19.005 -11.885 -10.649 372 H LEU 49 HN LEU 49 11.383 -11.331 -13.108 373 HA LEU 49 HA LEU 49 9.920 -11.687 -10.721 374 1HB LEU 49 HB2 LEU 49 9.336 -11.969 -13.630 375 2HB LEU 49 HB1 LEU 49 8.223 -12.720 -12.504 376 HG LEU 49 HG LEU 49 8.963 -9.845 -12.134 377 1HD1 LEU 49 3HD1 LEU 49 7.095 -10.968 -14.197 378 2HD1 LEU 49 2HD1 LEU 49 6.879 -9.353 -13.522 379 3HD1 LEU 49 1HD1 LEU 49 8.359 -9.754 -14.393 380 1HD2 LEU 49 1HD2 LEU 49 7.675 -10.994 -10.403 381 2HD2 LEU 49 3HD2 LEU 49 6.717 -9.738 -11.187 382 3HD2 LEU 49 2HD2 LEU 49 6.454 -11.433 -11.598 383 H ARG 50 HN ARG 50 10.513 -14.038 -13.342 384 HA ARG 50 HA ARG 50 9.790 -16.301 -11.816 385 1HB ARG 50 HB2 ARG 50 10.055 -16.038 -14.387 386 2HB ARG 50 HB1 ARG 50 11.747 -16.414 -14.095 387 1HG ARG 50 HG2 ARG 50 10.984 -18.506 -14.508 388 2HG ARG 50 HG1 ARG 50 10.683 -18.448 -12.771 389 1HD ARG 50 HD2 ARG 50 8.688 -19.269 -13.654 390 2HD ARG 50 HD1 ARG 50 8.361 -17.556 -13.404 391 HE ARG 50 HE ARG 50 9.318 -18.000 -16.030 392 1HH1 ARG 50 1HH1 ARG 50 6.464 -18.456 -14.053 393 2HH1 ARG 50 2HH1 ARG 50 5.373 -18.385 -15.396 394 1HH2 ARG 50 1HH2 ARG 50 7.878 -17.907 -17.793 395 2HH2 ARG 50 2HH2 ARG 50 6.175 -18.073 -17.520 396 H ASP 51 HN ASP 51 12.804 -14.557 -12.257 397 HA ASP 51 HA ASP 51 14.629 -16.421 -11.284 398 1HB ASP 51 HB2 ASP 51 15.485 -14.449 -12.293 399 2HB ASP 51 HB1 ASP 51 14.597 -13.408 -11.187 400 H LEU 52 HN LEU 52 13.115 -13.772 -9.429 401 HA LEU 52 HA LEU 52 14.036 -14.620 -6.917 402 1HB LEU 52 HB2 LEU 52 11.969 -12.739 -7.902 403 2HB LEU 52 HB1 LEU 52 11.804 -13.281 -6.243 404 HG LEU 52 HG LEU 52 14.327 -12.574 -6.066 405 1HD1 LEU 52 1HD1 LEU 52 14.453 -12.112 -8.531 406 2HD1 LEU 52 3HD1 LEU 52 13.402 -10.724 -8.251 407 3HD1 LEU 52 2HD1 LEU 52 14.990 -10.796 -7.488 408 1HD2 LEU 52 1HD2 LEU 52 12.488 -11.588 -4.799 409 2HD2 LEU 52 3HD2 LEU 52 13.620 -10.350 -5.346 410 3HD2 LEU 52 2HD2 LEU 52 12.079 -10.566 -6.176 411 H TYR 53 HN TYR 53 11.312 -15.666 -8.839 412 HA TYR 53 HA TYR 53 9.809 -16.870 -6.755 413 1HB TYR 53 HB2 TYR 53 9.846 -17.121 -9.742 414 2HB TYR 53 HB1 TYR 53 8.938 -18.290 -8.792 415 HD1 TYR 53 HD1 TYR 53 8.211 -15.853 -10.815 416 HD2 TYR 53 HD2 TYR 53 7.862 -16.565 -6.635 417 HE1 TYR 53 HE1 TYR 53 6.320 -14.286 -10.713 418 HE2 TYR 53 HE2 TYR 53 5.970 -15.000 -6.521 419 HH TYR 53 HH TYR 53 5.297 -12.786 -8.369 420 H SER 54 HN SER 54 12.328 -18.080 -8.936 421 HA SER 54 HA SER 54 12.199 -20.792 -8.218 422 1HB SER 54 HB2 SER 54 14.615 -19.204 -9.125 423 2HB SER 54 HB1 SER 54 14.472 -20.962 -9.143 424 HG SER 54 HG SER 54 13.120 -20.857 -10.810 425 H LYS 55 HN LYS 55 14.306 -18.192 -6.983 426 HA LYS 55 HA LYS 55 15.628 -19.735 -5.037 427 1HB LYS 55 HB2 LYS 55 15.176 -16.798 -5.425 428 2HB LYS 55 HB1 LYS 55 15.900 -17.374 -3.930 429 1HG LYS 55 HG2 LYS 55 17.815 -17.088 -5.068 430 2HG LYS 55 HG1 LYS 55 17.428 -18.685 -5.710 431 1HD LYS 55 HD2 LYS 55 17.958 -17.357 -7.587 432 2HD LYS 55 HD1 LYS 55 16.199 -17.478 -7.576 433 1HE LYS 55 HE2 LYS 55 16.164 -15.254 -7.707 434 2HE LYS 55 HE1 LYS 55 16.721 -15.237 -6.036 435 1HZ LYS 55 HZ1 LYS 55 18.486 -15.225 -8.426 436 2HZ LYS 55 HZ3 LYS 55 18.110 -13.872 -7.483 437 3HZ LYS 55 HZ2 LYS 55 18.994 -15.150 -6.814 438 H SER 56 HN SER 56 12.691 -17.752 -4.865 439 HA SER 56 HA SER 56 12.253 -17.970 -2.100 440 1HB SER 56 HB2 SER 56 10.437 -17.397 -4.426 441 2HB SER 56 HB1 SER 56 9.811 -17.493 -2.781 442 HG SER 56 HG SER 56 11.497 -15.599 -3.943 443 H THR 57 HN THR 57 11.823 -20.377 -4.559 444 HA THR 57 HA THR 57 9.698 -21.846 -3.514 445 HB THR 57 HB THR 57 12.146 -22.942 -4.915 446 HG1 THR 57 HG1 THR 57 11.409 -21.972 -6.603 447 1HG2 THR 57 1HG2 THR 57 9.359 -24.036 -4.649 448 2HG2 THR 57 3HG2 THR 57 10.560 -24.634 -5.792 449 3HG2 THR 57 2HG2 THR 57 10.855 -24.757 -4.058 450 H ALA 58 HN ALA 58 13.195 -22.347 -2.961 451 HA ALA 58 HA ALA 58 12.619 -24.138 -0.743 452 1HB ALA 58 HB1 ALA 58 14.407 -24.720 -2.293 453 2HB ALA 58 HB3 ALA 58 15.263 -23.235 -1.880 454 3HB ALA 58 HB2 ALA 58 15.035 -24.490 -0.662 455 H ALA 59 HN ALA 59 14.124 -20.961 -1.262 456 HA ALA 59 HA ALA 59 14.947 -20.507 1.387 457 1HB ALA 59 HB1 ALA 59 15.139 -18.165 0.757 458 2HB ALA 59 HB2 ALA 59 14.188 -18.464 -0.698 459 3HB ALA 59 HB3 ALA 59 15.776 -19.209 -0.514 460 H MET 60 HN MET 60 12.127 -19.046 -0.265 461 HA MET 60 HA MET 60 10.991 -17.969 2.061 462 1HB MET 60 HB2 MET 60 10.489 -17.628 -0.535 463 2HB MET 60 HB1 MET 60 9.188 -18.751 -0.168 464 1HG MET 60 HG2 MET 60 8.121 -16.788 0.218 465 2HG MET 60 HG1 MET 60 8.770 -17.091 1.829 466 1HE MET 60 HE1 MET 60 9.870 -15.604 3.108 467 2HE MET 60 HE3 MET 60 11.482 -15.838 2.432 468 3HE MET 60 HE2 MET 60 10.843 -14.209 2.643 469 H SER 61 HN SER 61 11.014 -21.235 0.969 470 HA SER 61 HA SER 61 8.557 -22.103 2.075 471 1HB SER 61 HB2 SER 61 10.868 -23.320 0.823 472 2HB SER 61 HB1 SER 61 10.311 -24.284 2.191 473 HG SER 61 HG SER 61 9.248 -24.112 -0.232 474 H THR 62 HN THR 62 11.483 -21.161 3.578 475 HA THR 62 HA THR 62 10.854 -22.646 6.027 476 HB THR 62 HB THR 62 13.090 -21.911 6.806 477 HG1 THR 62 HG1 THR 62 13.782 -20.185 5.825 478 1HG2 THR 62 1HG2 THR 62 12.882 -24.030 5.554 479 2HG2 THR 62 3HG2 THR 62 13.271 -23.153 4.074 480 3HG2 THR 62 2HG2 THR 62 14.456 -23.255 5.378 481 H TYR 63 HN TYR 63 11.617 -19.341 4.941 482 HA TYR 63 HA TYR 63 11.034 -18.071 7.376 483 1HB TYR 63 HB2 TYR 63 10.856 -16.823 4.630 484 2HB TYR 63 HB1 TYR 63 11.160 -16.006 6.160 485 HD1 TYR 63 HD1 TYR 63 13.315 -16.961 7.449 486 HD2 TYR 63 HD2 TYR 63 12.663 -17.187 3.252 487 HE1 TYR 63 HE1 TYR 63 15.736 -17.199 7.091 488 HE2 TYR 63 HE2 TYR 63 15.081 -17.427 2.882 489 HH TYR 63 HH TYR 63 17.146 -18.392 4.768 490 H THR 64 HN THR 64 9.002 -19.308 4.854 491 HA THR 64 HA THR 64 6.767 -17.623 5.370 492 HB THR 64 HB THR 64 7.113 -20.233 3.929 493 HG1 THR 64 HG1 THR 64 7.350 -18.822 2.410 494 1HG2 THR 64 2HG2 THR 64 4.494 -18.945 4.619 495 2HG2 THR 64 1HG2 THR 64 4.704 -19.967 3.197 496 3HG2 THR 64 3HG2 THR 64 4.977 -20.631 4.808 497 H GLY 65 HN GLY 65 7.311 -21.045 6.196 498 1HA GLY 65 HA1 GLY 65 6.556 -22.292 7.975 499 2HA GLY 65 HA2 GLY 65 5.160 -21.221 8.010 500 H ILE 66 HN ILE 66 8.551 -20.326 8.420 501 HA ILE 66 HA ILE 66 8.565 -20.208 11.247 502 HB ILE 66 HB ILE 66 10.302 -18.898 9.160 503 1HG1 ILE 66 2HG1 ILE 66 10.509 -21.344 9.524 504 2HG1 ILE 66 1HG1 ILE 66 11.980 -20.473 9.945 505 1HG2 ILE 66 3HG2 ILE 66 10.388 -18.561 12.142 506 2HG2 ILE 66 2HG2 ILE 66 11.829 -18.372 11.142 507 3HG2 ILE 66 1HG2 ILE 66 10.434 -17.323 10.888 508 1HD1 ILE 66 1HD1 ILE 66 11.367 -20.612 12.312 509 2HD1 ILE 66 3HD1 ILE 66 9.915 -21.511 11.874 510 3HD1 ILE 66 2HD1 ILE 66 11.507 -22.203 11.565 511 H PHE 67 HN PHE 67 8.361 -17.577 8.841 512 HA PHE 67 HA PHE 67 7.919 -15.452 10.556 513 1HB PHE 67 HB2 PHE 67 8.285 -15.126 8.168 514 2HB PHE 67 HB1 PHE 67 6.737 -15.880 7.802 515 HD1 PHE 67 HD1 PHE 67 4.730 -14.642 7.866 516 HD2 PHE 67 HD2 PHE 67 8.335 -12.931 9.346 517 HE1 PHE 67 HE1 PHE 67 3.631 -12.444 7.991 518 HE2 PHE 67 HE2 PHE 67 7.242 -10.731 9.474 519 HZ PHE 67 HZ PHE 67 4.888 -10.486 8.797 520 H THR 68 HN THR 68 5.395 -17.374 8.921 521 HA THR 68 HA THR 68 3.238 -16.191 10.287 522 HB THR 68 HB THR 68 1.907 -18.102 9.450 523 HG1 THR 68 HG1 THR 68 3.138 -19.849 9.440 524 1HG2 THR 68 2HG2 THR 68 3.807 -17.009 7.391 525 2HG2 THR 68 1HG2 THR 68 2.271 -17.811 7.062 526 3HG2 THR 68 3HG2 THR 68 2.296 -16.267 7.913 527 H ASP 69 HN ASP 69 5.471 -18.624 11.243 528 HA ASP 69 HA ASP 69 3.949 -20.080 13.083 529 1HB ASP 69 HB2 ASP 69 6.640 -19.994 12.345 530 2HB ASP 69 HB1 ASP 69 6.645 -19.604 14.060 531 H GLN 70 HN GLN 70 6.045 -17.267 13.728 532 HA GLN 70 HA GLN 70 5.141 -16.941 16.405 533 1HB GLN 70 HB2 GLN 70 6.626 -15.068 14.556 534 2HB GLN 70 HB1 GLN 70 6.308 -14.721 16.250 535 1HG GLN 70 HG2 GLN 70 8.408 -15.566 16.414 536 2HG GLN 70 HG1 GLN 70 7.478 -17.051 16.602 537 1HE2 GLN 70 1HE2 GLN 70 8.150 -18.695 15.419 538 2HE2 GLN 70 2HE2 GLN 70 9.009 -18.590 13.924 539 H VAL 71 HN VAL 71 3.988 -15.810 13.333 540 HA VAL 71 HA VAL 71 2.435 -13.617 14.257 541 HB VAL 71 HB VAL 71 2.125 -15.309 11.765 542 1HG1 VAL 71 2HG1 VAL 71 0.725 -12.791 12.630 543 2HG1 VAL 71 1HG1 VAL 71 0.820 -13.296 10.943 544 3HG1 VAL 71 3HG1 VAL 71 0.010 -14.323 12.126 545 1HG2 VAL 71 1HG2 VAL 71 4.189 -13.699 12.308 546 2HG2 VAL 71 3HG2 VAL 71 3.529 -13.890 10.684 547 3HG2 VAL 71 2HG2 VAL 71 3.064 -12.502 11.667 548 H LEU 72 HN LEU 72 1.617 -16.942 13.340 549 HA LEU 72 HA LEU 72 -1.070 -16.924 14.114 550 1HB LEU 72 HB2 LEU 72 0.159 -18.703 12.774 551 2HB LEU 72 HB1 LEU 72 0.778 -19.302 14.301 552 HG LEU 72 HG LEU 72 -1.671 -19.541 15.013 553 1HD1 LEU 72 1HD1 LEU 72 -2.043 -19.250 12.036 554 2HD1 LEU 72 3HD1 LEU 72 -3.264 -19.834 13.166 555 3HD1 LEU 72 2HD1 LEU 72 -2.676 -18.176 13.283 556 1HD2 LEU 72 1HD2 LEU 72 -0.228 -21.436 14.489 557 2HD2 LEU 72 3HD2 LEU 72 -1.870 -21.712 13.908 558 3HD2 LEU 72 2HD2 LEU 72 -0.598 -21.255 12.774 559 H SER 73 HN SER 73 1.920 -17.414 15.897 560 HA SER 73 HA SER 73 0.849 -18.375 18.301 561 1HB SER 73 HB2 SER 73 3.334 -18.127 17.576 562 2HB SER 73 HB1 SER 73 3.203 -16.505 18.255 563 HG SER 73 HG SER 73 3.911 -17.852 19.871 564 H VAL 74 HN VAL 74 1.186 -15.098 17.080 565 HA VAL 74 HA VAL 74 0.347 -13.824 19.498 566 HB VAL 74 HB VAL 74 0.221 -12.712 16.687 567 1HG1 VAL 74 3HG1 VAL 74 0.007 -11.498 19.416 568 2HG1 VAL 74 2HG1 VAL 74 0.600 -10.546 18.054 569 3HG1 VAL 74 1HG1 VAL 74 -1.015 -11.252 18.000 570 1HG2 VAL 74 1HG2 VAL 74 2.492 -13.310 18.398 571 2HG2 VAL 74 3HG2 VAL 74 2.448 -12.852 16.696 572 3HG2 VAL 74 2HG2 VAL 74 2.424 -11.608 17.945 573 H LEU 75 HN LEU 75 -1.299 -15.491 16.985 574 HA LEU 75 HA LEU 75 -3.796 -14.168 17.051 575 1HB LEU 75 HB2 LEU 75 -2.796 -16.045 15.456 576 2HB LEU 75 HB1 LEU 75 -3.667 -17.098 16.553 577 HG LEU 75 HG LEU 75 -5.384 -14.947 15.729 578 1HD1 LEU 75 1HD1 LEU 75 -3.911 -14.846 13.763 579 2HD1 LEU 75 3HD1 LEU 75 -4.199 -16.562 13.477 580 3HD1 LEU 75 2HD1 LEU 75 -5.531 -15.412 13.358 581 1HD2 LEU 75 1HD2 LEU 75 -6.117 -17.104 16.613 582 2HD2 LEU 75 3HD2 LEU 75 -6.807 -16.794 15.019 583 3HD2 LEU 75 2HD2 LEU 75 -5.456 -17.914 15.192 584 H LYS 76 HN LYS 76 -2.371 -16.724 18.942 585 HA LYS 76 HA LYS 76 -4.731 -17.412 20.395 586 1HB LYS 76 HB2 LYS 76 -1.824 -17.863 21.106 587 2HB LYS 76 HB1 LYS 76 -3.199 -18.625 21.895 588 1HG LYS 76 HG2 LYS 76 -3.746 -19.415 19.446 589 2HG LYS 76 HG1 LYS 76 -2.019 -19.141 19.215 590 1HD LYS 76 HD2 LYS 76 -1.955 -21.316 19.899 591 2HD LYS 76 HD1 LYS 76 -1.876 -20.524 21.473 592 1HE LYS 76 HE2 LYS 76 -3.526 -22.106 21.810 593 2HE LYS 76 HE1 LYS 76 -4.467 -20.675 21.394 594 1HZ LYS 76 HZ1 LYS 76 -3.722 -22.847 19.507 595 2HZ LYS 76 HZ3 LYS 76 -5.244 -22.646 20.220 596 3HZ LYS 76 HZ2 LYS 76 -4.659 -21.488 19.134 597 H GLY 77 HN GLY 77 -2.045 -15.175 20.917 598 1HA GLY 77 HA1 GLY 77 -1.605 -13.752 22.708 599 2HA GLY 77 HA2 GLY 77 -2.992 -14.423 23.555 600 H GLU 78 HN GLU 78 -5.155 -13.775 22.711 601 HA GLU 78 HA GLU 78 -6.707 -12.182 22.258 602 1HB GLU 78 HB2 GLU 78 -4.401 -10.308 22.817 603 2HB GLU 78 HB1 GLU 78 -6.084 -9.821 22.689 604 1HG GLU 78 HG2 GLU 78 -5.821 -9.982 24.958 605 2HG GLU 78 HG1 GLU 78 -6.464 -11.576 24.566 606 H GLU 79 HN GLU 79 -5.151 -13.285 20.023 607 HA GLU 79 HA GLU 79 -5.171 -13.065 17.760 608 1HB GLU 79 HB2 GLU 79 -7.218 -11.428 18.476 609 2HB GLU 79 HB1 GLU 79 -6.154 -10.284 17.670 610 1HG GLU 79 HG2 GLU 79 -7.164 -12.854 16.472 611 2HG GLU 79 HG1 GLU 79 -7.832 -11.253 16.166 No H/Q in entry = 611 Start of MODEL 35 1 H1 THR 1 HT3 THR 1 26.522 1.477 32.729 2 H2 THR 1 HT2 THR 1 27.926 0.604 32.264 3 H3 THR 1 HT1 THR 1 27.957 2.319 32.321 4 HA THR 1 HA THR 1 26.463 2.490 30.538 5 HB THR 1 HB THR 1 28.618 0.443 29.950 6 HG1 THR 1 HG1 THR 1 28.743 3.272 30.108 7 1HG2 THR 1 2HG2 THR 1 27.335 2.503 28.174 8 2HG2 THR 1 1HG2 THR 1 28.780 1.578 27.770 9 3HG2 THR 1 3HG2 THR 1 27.243 0.750 28.009 10 H GLN 2 HN GLN 2 27.277 -0.982 30.898 11 HA GLN 2 HA GLN 2 24.783 -1.688 29.560 12 1HB GLN 2 HB2 GLN 2 27.256 -3.214 30.321 13 2HB GLN 2 HB1 GLN 2 25.779 -4.063 29.891 14 1HG GLN 2 HG2 GLN 2 26.011 -2.298 27.834 15 2HG GLN 2 HG1 GLN 2 27.700 -2.646 28.204 16 1HE2 GLN 2 1HE2 GLN 2 28.460 -4.782 28.001 17 2HE2 GLN 2 2HE2 GLN 2 27.616 -5.950 27.048 18 H GLN 3 HN GLN 3 23.021 -1.820 30.779 19 HA GLN 3 HA GLN 3 23.174 -2.379 33.609 20 1HB GLN 3 HB2 GLN 3 20.946 -1.662 31.723 21 2HB GLN 3 HB1 GLN 3 20.599 -2.215 33.355 22 1HG GLN 3 HG2 GLN 3 22.331 0.151 32.676 23 2HG GLN 3 HG1 GLN 3 20.629 0.240 33.129 24 1HE2 GLN 3 1HE2 GLN 3 23.867 -0.183 34.233 25 2HE2 GLN 3 2HE2 GLN 3 23.518 -0.196 35.925 26 HA PRO 4 HA PRO 4 22.405 -6.715 33.720 27 1HB PRO 4 HB2 PRO 4 20.176 -6.172 35.608 28 2HB PRO 4 HB1 PRO 4 21.600 -7.198 35.810 29 1HG PRO 4 HG2 PRO 4 21.431 -4.848 37.049 30 2HG PRO 4 HG1 PRO 4 22.969 -5.415 36.372 31 1HD PRO 4 HD2 PRO 4 21.059 -3.377 35.300 32 2HD PRO 4 HD1 PRO 4 22.835 -3.373 35.294 33 H GLN 5 HN GLN 5 19.634 -4.583 33.248 34 HA GLN 5 HA GLN 5 17.828 -6.631 32.411 35 1HB GLN 5 HB2 GLN 5 17.533 -4.021 33.149 36 2HB GLN 5 HB1 GLN 5 17.361 -3.897 31.405 37 1HG GLN 5 HG2 GLN 5 15.721 -5.602 33.264 38 2HG GLN 5 HG1 GLN 5 15.198 -4.148 32.418 39 1HE2 GLN 5 1HE2 GLN 5 15.790 -4.387 29.915 40 2HE2 GLN 5 2HE2 GLN 5 15.175 -5.835 29.204 41 H GLN 6 HN GLN 6 19.556 -4.078 30.601 42 HA GLN 6 HA GLN 6 18.865 -5.116 28.053 43 1HB GLN 6 HB2 GLN 6 20.573 -3.554 27.182 44 2HB GLN 6 HB1 GLN 6 19.444 -2.785 28.284 45 1HG GLN 6 HG2 GLN 6 21.333 -1.904 29.122 46 2HG GLN 6 HG1 GLN 6 21.365 -3.414 30.025 47 1HE2 GLN 6 1HE2 GLN 6 22.514 -1.919 27.029 48 2HE2 GLN 6 2HE2 GLN 6 23.996 -2.802 26.953 49 H ASP 7 HN ASP 7 21.351 -5.953 30.319 50 HA ASP 7 HA ASP 7 23.178 -7.112 28.469 51 1HB ASP 7 HB2 ASP 7 22.855 -7.084 31.423 52 2HB ASP 7 HB1 ASP 7 23.783 -8.413 30.739 53 H GLU 8 HN GLU 8 21.079 -8.693 30.870 54 HA GLU 8 HA GLU 8 21.287 -11.245 29.621 55 1HB GLU 8 HB2 GLU 8 19.203 -10.336 31.617 56 2HB GLU 8 HB1 GLU 8 19.656 -11.993 31.250 57 1HG GLU 8 HG2 GLU 8 21.233 -9.909 32.720 58 2HG GLU 8 HG1 GLU 8 20.686 -11.483 33.293 59 H MET 9 HN MET 9 18.346 -9.276 30.132 60 HA MET 9 HA MET 9 16.898 -10.597 28.071 61 1HB MET 9 HB2 MET 9 16.429 -8.205 29.805 62 2HB MET 9 HB1 MET 9 15.395 -8.451 28.407 63 1HG MET 9 HG2 MET 9 15.822 -10.704 30.305 64 2HG MET 9 HG1 MET 9 14.736 -9.389 30.755 65 1HE MET 9 HE2 MET 9 13.205 -8.420 28.537 66 2HE MET 9 HE1 MET 9 11.918 -9.562 28.150 67 3HE MET 9 HE3 MET 9 12.261 -9.156 29.832 68 HA PRO 10 HA PRO 10 17.666 -8.540 24.244 69 1HB PRO 10 HB2 PRO 10 15.018 -7.166 24.474 70 2HB PRO 10 HB1 PRO 10 15.710 -8.054 23.110 71 1HG PRO 10 HG2 PRO 10 13.853 -9.179 24.643 72 2HG PRO 10 HG1 PRO 10 15.227 -10.125 24.042 73 1HD PRO 10 HD2 PRO 10 14.705 -9.064 26.774 74 2HD PRO 10 HD1 PRO 10 15.543 -10.548 26.278 75 H SER 11 HN SER 11 19.037 -6.906 23.997 76 HA SER 11 HA SER 11 19.083 -4.659 25.759 77 1HB SER 11 HB2 SER 11 20.916 -5.915 24.066 78 2HB SER 11 HB1 SER 11 20.690 -4.316 23.359 79 HG SER 11 HG SER 11 21.779 -5.046 25.816 80 HA PRO 12 HA PRO 12 16.585 -1.787 23.513 81 1HB PRO 12 HB2 PRO 12 17.702 0.566 24.245 82 2HB PRO 12 HB1 PRO 12 16.751 -0.423 25.358 83 1HG PRO 12 HG2 PRO 12 19.723 -0.200 25.089 84 2HG PRO 12 HG1 PRO 12 18.734 -0.256 26.559 85 1HD PRO 12 HD2 PRO 12 20.062 -2.417 25.587 86 2HD PRO 12 HD1 PRO 12 18.542 -2.545 26.493 87 H THR 13 HN THR 13 20.081 -1.659 23.096 88 HA THR 13 HA THR 13 20.068 0.118 20.864 89 HB THR 13 HB THR 13 22.235 -1.878 21.525 90 HG1 THR 13 HG1 THR 13 22.264 -0.899 23.388 91 1HG2 THR 13 1HG2 THR 13 22.340 0.870 20.306 92 2HG2 THR 13 3HG2 THR 13 23.738 -0.115 20.733 93 3HG2 THR 13 2HG2 THR 13 22.626 -0.661 19.478 94 H PHE 14 HN PHE 14 18.241 -1.087 19.798 95 HA PHE 14 HA PHE 14 19.339 -2.792 17.719 96 1HB PHE 14 HB2 PHE 14 17.336 -3.711 19.742 97 2HB PHE 14 HB1 PHE 14 17.170 -4.272 18.083 98 HD1 PHE 14 HD1 PHE 14 19.096 -4.495 21.151 99 HD2 PHE 14 HD2 PHE 14 18.912 -5.668 17.065 100 HE1 PHE 14 HE1 PHE 14 20.774 -6.240 21.582 101 HE2 PHE 14 HE2 PHE 14 20.590 -7.415 17.488 102 HZ PHE 14 HZ PHE 14 21.523 -7.704 19.749 103 H LEU 15 HN LEU 15 16.092 -1.891 18.921 104 HA LEU 15 HA LEU 15 15.018 -1.397 16.362 105 1HB LEU 15 HB2 LEU 15 14.185 -0.934 19.159 106 2HB LEU 15 HB1 LEU 15 13.446 0.122 17.969 107 HG LEU 15 HG LEU 15 13.426 -2.854 17.579 108 1HD1 LEU 15 3HD1 LEU 15 11.437 -1.249 19.180 109 2HD1 LEU 15 2HD1 LEU 15 11.245 -2.931 18.689 110 3HD1 LEU 15 1HD1 LEU 15 12.530 -2.481 19.810 111 1HD2 LEU 15 3HD2 LEU 15 12.796 -1.425 15.698 112 2HD2 LEU 15 2HD2 LEU 15 11.414 -2.344 16.292 113 3HD2 LEU 15 1HD2 LEU 15 11.579 -0.636 16.699 114 H THR 16 HN THR 16 16.351 0.791 18.824 115 HA THR 16 HA THR 16 15.884 3.223 17.538 116 HB THR 16 HB THR 16 18.321 2.657 19.222 117 HG1 THR 16 HG1 THR 16 16.982 2.059 20.711 118 1HG2 THR 16 2HG2 THR 16 16.597 5.094 18.872 119 2HG2 THR 16 1HG2 THR 16 17.826 4.916 20.123 120 3HG2 THR 16 3HG2 THR 16 18.291 4.899 18.422 121 H GLN 17 HN GLN 17 18.243 0.767 16.840 122 HA GLN 17 HA GLN 17 20.196 2.303 15.544 123 1HB GLN 17 HB2 GLN 17 20.292 -0.153 16.248 124 2HB GLN 17 HB1 GLN 17 19.455 -0.503 14.744 125 1HG GLN 17 HG2 GLN 17 21.779 1.204 14.370 126 2HG GLN 17 HG1 GLN 17 22.175 -0.351 15.097 127 1HE2 GLN 17 1HE2 GLN 17 21.311 1.302 12.244 128 2HE2 GLN 17 2HE2 GLN 17 21.241 -0.067 11.194 129 H VAL 18 HN VAL 18 17.101 1.089 14.421 130 HA VAL 18 HA VAL 18 17.053 0.969 11.791 131 HB VAL 18 HB VAL 18 14.902 2.266 11.722 132 1HG1 VAL 18 2HG1 VAL 18 15.442 0.003 13.585 133 2HG1 VAL 18 1HG1 VAL 18 13.821 0.695 13.513 134 3HG1 VAL 18 3HG1 VAL 18 14.558 0.023 12.059 135 1HG2 VAL 18 3HG2 VAL 18 15.802 2.965 14.464 136 2HG2 VAL 18 2HG2 VAL 18 14.894 3.917 13.292 137 3HG2 VAL 18 1HG2 VAL 18 14.085 2.655 14.220 138 H LYS 19 HN LYS 19 17.234 4.154 13.407 139 HA LYS 19 HA LYS 19 17.168 5.791 11.193 140 1HB LYS 19 HB2 LYS 19 18.576 6.071 13.833 141 2HB LYS 19 HB1 LYS 19 18.676 7.332 12.611 142 1HG LYS 19 HG2 LYS 19 15.969 6.364 13.299 143 2HG LYS 19 HG1 LYS 19 16.822 7.296 14.531 144 1HD LYS 19 HD2 LYS 19 15.760 8.978 13.379 145 2HD LYS 19 HD1 LYS 19 17.302 8.920 12.525 146 1HE LYS 19 HE2 LYS 19 15.711 8.983 10.817 147 2HE LYS 19 HE1 LYS 19 16.145 7.280 10.933 148 1HZ LYS 19 HZ2 LYS 19 13.747 8.526 12.171 149 2HZ LYS 19 HZ1 LYS 19 13.748 7.604 10.753 150 3HZ LYS 19 HZ3 LYS 19 14.154 6.884 12.230 151 H GLU 20 HN GLU 20 20.089 4.432 12.716 152 HA GLU 20 HA GLU 20 21.899 5.452 10.806 153 1HB GLU 20 HB2 GLU 20 22.234 2.982 12.516 154 2HB GLU 20 HB1 GLU 20 23.519 3.904 11.750 155 1HG GLU 20 HG2 GLU 20 23.705 4.881 13.750 156 2HG GLU 20 HG1 GLU 20 22.316 5.831 13.225 157 H SER 21 HN SER 21 19.881 2.628 10.879 158 HA SER 21 HA SER 21 21.146 1.096 8.880 159 1HB SER 21 HB2 SER 21 19.058 0.640 10.538 160 2HB SER 21 HB1 SER 21 18.188 0.959 9.037 161 HG SER 21 HG SER 21 18.996 -0.817 8.170 162 H LEU 22 HN LEU 22 18.675 3.624 8.729 163 HA LEU 22 HA LEU 22 18.219 3.402 5.926 164 1HB LEU 22 HB2 LEU 22 17.489 5.350 8.060 165 2HB LEU 22 HB1 LEU 22 17.358 5.868 6.390 166 HG LEU 22 HG LEU 22 15.933 3.759 6.032 167 1HD1 LEU 22 2HD1 LEU 22 16.523 2.640 8.119 168 2HD1 LEU 22 1HD1 LEU 22 15.786 3.952 9.038 169 3HD1 LEU 22 3HD1 LEU 22 14.786 2.922 8.014 170 1HD2 LEU 22 1HD2 LEU 22 15.041 6.038 6.034 171 2HD2 LEU 22 3HD2 LEU 22 13.919 4.904 6.786 172 3HD2 LEU 22 2HD2 LEU 22 14.891 5.978 7.791 173 H SER 23 HN SER 23 20.412 5.312 7.924 174 HA SER 23 HA SER 23 21.281 7.140 5.988 175 1HB SER 23 HB2 SER 23 22.896 5.951 8.261 176 2HB SER 23 HB1 SER 23 23.270 7.440 7.395 177 HG SER 23 HG SER 23 21.335 6.936 9.325 178 H SER 24 HN SER 24 22.789 4.069 6.991 179 HA SER 24 HA SER 24 24.726 4.021 4.931 180 1HB SER 24 HB2 SER 24 23.554 1.786 6.605 181 2HB SER 24 HB1 SER 24 24.935 1.593 5.525 182 HG SER 24 HG SER 24 24.745 2.956 7.956 183 H TYR 25 HN TYR 25 21.357 3.413 4.889 184 HA TYR 25 HA TYR 25 21.279 1.528 2.757 185 1HB TYR 25 HB2 TYR 25 19.435 2.116 4.478 186 2HB TYR 25 HB1 TYR 25 19.049 3.443 3.388 187 HD1 TYR 25 HD1 TYR 25 19.082 -0.209 3.787 188 HD2 TYR 25 HD2 TYR 25 17.995 3.035 1.256 189 HE1 TYR 25 HE1 TYR 25 17.710 -1.733 2.433 190 HE2 TYR 25 HE2 TYR 25 16.618 1.520 -0.104 191 HH TYR 25 HH TYR 25 16.842 -1.417 -0.389 192 H TRP 26 HN TRP 26 21.170 5.063 2.924 193 HA TRP 26 HA TRP 26 20.490 5.530 0.231 194 1HB TRP 26 HB2 TRP 26 20.257 7.351 1.745 195 2HB TRP 26 HB1 TRP 26 21.931 7.218 2.274 196 HD1 TRP 26 HD1 TRP 26 23.266 9.214 1.409 197 HE1 TRP 26 HE1 TRP 26 23.358 10.579 -0.771 198 HE3 TRP 26 HE3 TRP 26 19.535 6.866 -1.182 199 HZ2 TRP 26 HZ2 TRP 26 22.027 10.649 -3.260 200 HZ3 TRP 26 HZ3 TRP 26 19.010 7.641 -3.456 201 HH2 TRP 26 HH2 TRP 26 20.230 9.495 -4.471 202 H GLU 27 HN GLU 27 23.603 5.135 1.840 203 HA GLU 27 HA GLU 27 25.441 5.882 -0.001 204 1HB GLU 27 HB2 GLU 27 25.343 3.711 2.012 205 2HB GLU 27 HB1 GLU 27 26.587 3.561 0.779 206 1HG GLU 27 HG2 GLU 27 27.573 4.676 2.608 207 2HG GLU 27 HG1 GLU 27 27.311 5.890 1.357 208 H SER 28 HN SER 28 23.950 2.659 0.106 209 HA SER 28 HA SER 28 24.893 2.034 -2.561 210 1HB SER 28 HB2 SER 28 23.774 -0.145 -2.184 211 2HB SER 28 HB1 SER 28 24.880 0.266 -0.874 212 HG SER 28 HG SER 28 23.248 0.424 0.466 213 H ALA 29 HN ALA 29 22.035 3.329 -1.081 214 HA ALA 29 HA ALA 29 20.096 2.559 -2.972 215 1HB ALA 29 HB3 ALA 29 19.563 3.585 -0.796 216 2HB ALA 29 HB1 ALA 29 18.754 4.387 -2.141 217 3HB ALA 29 HB2 ALA 29 20.170 5.126 -1.398 218 H LYS 30 HN LYS 30 22.402 5.240 -2.979 219 HA LYS 30 HA LYS 30 21.394 6.762 -5.053 220 1HB LYS 30 HB2 LYS 30 23.506 7.071 -3.506 221 2HB LYS 30 HB1 LYS 30 24.349 6.353 -4.872 222 1HG LYS 30 HG2 LYS 30 23.440 8.126 -6.326 223 2HG LYS 30 HG1 LYS 30 22.687 8.864 -4.911 224 1HD LYS 30 HD2 LYS 30 25.612 8.284 -4.854 225 2HD LYS 30 HD1 LYS 30 25.036 9.676 -5.772 226 1HE LYS 30 HE2 LYS 30 24.014 10.618 -3.818 227 2HE LYS 30 HE1 LYS 30 24.352 9.163 -2.882 228 1HZ LYS 30 HZ1 LYS 30 26.402 10.990 -4.015 229 2HZ LYS 30 HZ3 LYS 30 25.921 10.940 -2.393 230 3HZ LYS 30 HZ2 LYS 30 26.710 9.612 -3.083 231 H THR 31 HN THR 31 23.887 4.234 -5.390 232 HA THR 31 HA THR 31 24.103 4.191 -8.137 233 HB THR 31 HB THR 31 24.764 1.799 -7.914 234 HG1 THR 31 HG1 THR 31 23.652 0.879 -6.356 235 1HG2 THR 31 1HG2 THR 31 26.399 3.576 -7.394 236 2HG2 THR 31 3HG2 THR 31 25.934 3.457 -5.697 237 3HG2 THR 31 2HG2 THR 31 26.674 2.077 -6.508 238 H ALA 32 HN ALA 32 21.643 2.777 -6.074 239 HA ALA 32 HA ALA 32 20.314 1.235 -8.027 240 1HB ALA 32 HB1 ALA 32 18.721 2.505 -5.867 241 2HB ALA 32 HB3 ALA 32 18.730 0.837 -6.438 242 3HB ALA 32 HB2 ALA 32 20.027 1.418 -5.394 243 H ALA 33 HN ALA 33 19.925 4.615 -6.984 244 HA ALA 33 HA ALA 33 17.664 5.332 -8.390 245 1HB ALA 33 HB2 ALA 33 19.034 6.767 -6.809 246 2HB ALA 33 HB1 ALA 33 20.065 7.130 -8.193 247 3HB ALA 33 HB3 ALA 33 18.361 7.582 -8.221 248 H GLN 34 HN GLN 34 21.010 5.552 -9.596 249 HA GLN 34 HA GLN 34 20.263 6.262 -12.229 250 1HB GLN 34 HB2 GLN 34 22.577 6.451 -11.085 251 2HB GLN 34 HB1 GLN 34 22.789 4.769 -11.552 252 1HG GLN 34 HG2 GLN 34 22.226 5.556 -13.923 253 2HG GLN 34 HG1 GLN 34 22.511 7.181 -13.304 254 1HE2 GLN 34 1HE2 GLN 34 24.599 7.775 -12.672 255 2HE2 GLN 34 2HE2 GLN 34 25.990 6.871 -13.155 256 H ASN 35 HN ASN 35 20.789 3.201 -10.584 257 HA ASN 35 HA ASN 35 20.711 1.516 -12.843 258 1HB ASN 35 HB2 ASN 35 21.332 0.989 -10.355 259 2HB ASN 35 HB1 ASN 35 19.615 0.636 -10.192 260 1HD2 ASN 35 1HD2 ASN 35 22.493 -0.168 -12.077 261 2HD2 ASN 35 2HD2 ASN 35 22.021 -1.792 -12.433 262 H LEU 36 HN LEU 36 18.211 3.133 -11.075 263 HA LEU 36 HA LEU 36 15.967 1.625 -11.787 264 1HB LEU 36 HB2 LEU 36 16.193 3.712 -10.225 265 2HB LEU 36 HB1 LEU 36 15.892 4.626 -11.691 266 HG LEU 36 HG LEU 36 13.996 2.446 -10.914 267 1HD1 LEU 36 3HD1 LEU 36 14.360 3.834 -8.894 268 2HD1 LEU 36 2HD1 LEU 36 13.877 5.252 -9.824 269 3HD1 LEU 36 1HD1 LEU 36 12.723 3.949 -9.540 270 1HD2 LEU 36 2HD2 LEU 36 13.708 5.085 -12.347 271 2HD2 LEU 36 1HD2 LEU 36 13.720 3.484 -13.084 272 3HD2 LEU 36 3HD2 LEU 36 12.394 3.956 -12.024 273 H TYR 37 HN TYR 37 17.646 4.286 -13.351 274 HA TYR 37 HA TYR 37 16.044 4.418 -15.684 275 1HB TYR 37 HB2 TYR 37 17.823 6.095 -14.776 276 2HB TYR 37 HB1 TYR 37 18.972 5.105 -15.668 277 HD1 TYR 37 HD1 TYR 37 19.263 5.401 -17.981 278 HD2 TYR 37 HD2 TYR 37 15.888 7.139 -16.057 279 HE1 TYR 37 HE1 TYR 37 18.737 6.643 -20.038 280 HE2 TYR 37 HE2 TYR 37 15.353 8.385 -18.109 281 HH TYR 37 HH TYR 37 17.059 9.181 -20.277 282 H GLU 38 HN GLU 38 18.883 2.565 -14.747 283 HA GLU 38 HA GLU 38 19.588 1.478 -17.220 284 1HB GLU 38 HB2 GLU 38 21.050 1.292 -15.295 285 2HB GLU 38 HB1 GLU 38 19.877 0.287 -14.460 286 1HG GLU 38 HG2 GLU 38 20.890 -0.641 -17.090 287 2HG GLU 38 HG1 GLU 38 21.963 -0.740 -15.696 288 H LYS 39 HN LYS 39 17.698 -0.142 -14.684 289 HA LYS 39 HA LYS 39 16.941 -2.340 -16.244 290 1HB LYS 39 HB2 LYS 39 15.264 -2.775 -14.495 291 2HB LYS 39 HB1 LYS 39 16.848 -2.408 -13.827 292 1HG LYS 39 HG2 LYS 39 15.999 -0.019 -13.556 293 2HG LYS 39 HG1 LYS 39 14.393 -0.684 -13.864 294 1HD LYS 39 HD2 LYS 39 14.611 -0.662 -11.523 295 2HD LYS 39 HD1 LYS 39 14.894 -2.338 -11.993 296 1HE LYS 39 HE2 LYS 39 16.911 -2.302 -11.063 297 2HE LYS 39 HE1 LYS 39 17.373 -0.908 -12.038 298 1HZ LYS 39 HZ2 LYS 39 15.985 0.368 -10.258 299 2HZ LYS 39 HZ1 LYS 39 16.302 -0.992 -9.305 300 3HZ LYS 39 HZ3 LYS 39 17.582 -0.079 -9.931 301 H THR 40 HN THR 40 15.905 0.855 -16.603 302 HA THR 40 HA THR 40 13.169 0.429 -17.229 303 HB THR 40 HB THR 40 15.062 2.604 -18.140 304 HG1 THR 40 HG1 THR 40 14.778 2.719 -15.953 305 1HG2 THR 40 1HG2 THR 40 12.075 2.426 -18.365 306 2HG2 THR 40 3HG2 THR 40 12.970 3.943 -18.447 307 3HG2 THR 40 2HG2 THR 40 13.250 2.687 -19.653 308 H TYR 41 HN TYR 41 15.992 0.878 -19.325 309 HA TYR 41 HA TYR 41 14.656 0.233 -21.735 310 1HB TYR 41 HB2 TYR 41 17.602 0.168 -21.055 311 2HB TYR 41 HB1 TYR 41 16.951 0.006 -22.683 312 HD1 TYR 41 HD1 TYR 41 18.251 2.264 -20.335 313 HD2 TYR 41 HD2 TYR 41 15.332 1.971 -23.416 314 HE1 TYR 41 HE1 TYR 41 18.268 4.709 -20.576 315 HE2 TYR 41 HE2 TYR 41 15.341 4.416 -23.666 316 HH TYR 41 HH TYR 41 16.119 6.462 -21.730 317 H LEU 42 HN LEU 42 16.730 -1.714 -19.590 318 HA LEU 42 HA LEU 42 16.687 -4.056 -21.165 319 1HB LEU 42 HB2 LEU 42 17.401 -3.415 -18.343 320 2HB LEU 42 HB1 LEU 42 17.199 -5.100 -18.788 321 HG LEU 42 HG LEU 42 18.866 -4.544 -20.706 322 1HD1 LEU 42 2HD1 LEU 42 19.192 -2.210 -18.855 323 2HD1 LEU 42 1HD1 LEU 42 20.535 -2.807 -19.829 324 3HD1 LEU 42 3HD1 LEU 42 19.068 -2.224 -20.613 325 1HD2 LEU 42 1HD2 LEU 42 19.634 -4.789 -17.805 326 2HD2 LEU 42 3HD2 LEU 42 19.432 -6.086 -18.981 327 3HD2 LEU 42 2HD2 LEU 42 20.775 -4.955 -19.138 328 HA PRO 43 HA PRO 43 12.701 -5.684 -20.020 329 1HB PRO 43 HB2 PRO 43 12.786 -7.932 -21.435 330 2HB PRO 43 HB1 PRO 43 12.827 -6.360 -22.244 331 1HG PRO 43 HG2 PRO 43 15.045 -8.283 -21.726 332 2HG PRO 43 HG1 PRO 43 14.772 -7.233 -23.126 333 1HD PRO 43 HD2 PRO 43 16.480 -6.712 -20.943 334 2HD PRO 43 HD1 PRO 43 15.978 -5.555 -22.191 335 H ALA 44 HN ALA 44 14.913 -6.157 -18.084 336 HA ALA 44 HA ALA 44 15.029 -8.871 -17.317 337 1HB ALA 44 HB1 ALA 44 15.501 -6.397 -15.663 338 2HB ALA 44 HB3 ALA 44 15.968 -8.038 -15.217 339 3HB ALA 44 HB2 ALA 44 16.706 -7.261 -16.617 340 H VAL 45 HN VAL 45 12.529 -6.574 -16.953 341 HA VAL 45 HA VAL 45 11.295 -6.947 -14.597 342 HB VAL 45 HB VAL 45 9.883 -6.984 -17.271 343 1HG1 VAL 45 2HG1 VAL 45 8.882 -6.461 -14.480 344 2HG1 VAL 45 1HG1 VAL 45 8.005 -5.969 -15.928 345 3HG1 VAL 45 3HG1 VAL 45 8.321 -7.678 -15.627 346 1HG2 VAL 45 3HG2 VAL 45 10.903 -4.767 -15.524 347 2HG2 VAL 45 2HG2 VAL 45 11.143 -5.018 -17.253 348 3HG2 VAL 45 1HG2 VAL 45 9.568 -4.509 -16.648 349 H ASP 46 HN ASP 46 10.709 -9.110 -17.387 350 HA ASP 46 HA ASP 46 9.229 -10.982 -15.817 351 1HB ASP 46 HB2 ASP 46 8.796 -10.704 -18.209 352 2HB ASP 46 HB1 ASP 46 10.424 -11.263 -18.583 353 H GLU 47 HN GLU 47 12.604 -10.733 -16.818 354 HA GLU 47 HA GLU 47 13.326 -13.414 -16.188 355 1HB GLU 47 HB2 GLU 47 14.898 -10.869 -16.514 356 2HB GLU 47 HB1 GLU 47 15.680 -12.363 -16.016 357 1HG GLU 47 HG2 GLU 47 15.999 -12.516 -18.251 358 2HG GLU 47 HG1 GLU 47 14.427 -13.307 -18.142 359 H LYS 48 HN LYS 48 13.729 -10.375 -14.365 360 HA LYS 48 HA LYS 48 14.823 -11.530 -12.046 361 1HB LYS 48 HB2 LYS 48 14.565 -9.012 -12.852 362 2HB LYS 48 HB1 LYS 48 13.140 -9.079 -11.825 363 1HG LYS 48 HG2 LYS 48 14.893 -8.229 -10.496 364 2HG LYS 48 HG1 LYS 48 14.640 -9.897 -9.979 365 1HD LYS 48 HD2 LYS 48 16.978 -9.632 -10.129 366 2HD LYS 48 HD1 LYS 48 16.514 -10.520 -11.580 367 1HE LYS 48 HE2 LYS 48 16.349 -7.747 -12.163 368 2HE LYS 48 HE1 LYS 48 17.896 -8.039 -11.369 369 1HZ LYS 48 HZ2 LYS 48 16.883 -9.515 -13.741 370 2HZ LYS 48 HZ1 LYS 48 18.044 -8.285 -13.775 371 3HZ LYS 48 HZ3 LYS 48 18.382 -9.747 -12.992 372 H LEU 49 HN LEU 49 11.529 -11.244 -13.159 373 HA LEU 49 HA LEU 49 10.192 -11.606 -10.700 374 1HB LEU 49 HB2 LEU 49 9.011 -10.831 -12.680 375 2HB LEU 49 HB1 LEU 49 9.363 -12.331 -13.514 376 HG LEU 49 HG LEU 49 8.035 -13.342 -11.423 377 1HD1 LEU 49 3HD1 LEU 49 7.688 -11.145 -10.388 378 2HD1 LEU 49 2HD1 LEU 49 6.805 -10.619 -11.821 379 3HD1 LEU 49 1HD1 LEU 49 6.165 -11.923 -10.819 380 1HD2 LEU 49 2HD2 LEU 49 6.760 -12.122 -13.869 381 2HD2 LEU 49 1HD2 LEU 49 7.504 -13.719 -13.768 382 3HD2 LEU 49 3HD2 LEU 49 6.044 -13.367 -12.845 383 H ARG 50 HN ARG 50 10.840 -13.953 -13.307 384 HA ARG 50 HA ARG 50 10.170 -16.234 -11.785 385 1HB ARG 50 HB2 ARG 50 11.757 -15.804 -14.304 386 2HB ARG 50 HB1 ARG 50 11.667 -17.397 -13.565 387 1HG ARG 50 HG2 ARG 50 9.935 -17.547 -15.031 388 2HG ARG 50 HG1 ARG 50 9.079 -16.908 -13.627 389 1HD ARG 50 HD2 ARG 50 9.128 -14.693 -14.515 390 2HD ARG 50 HD1 ARG 50 10.220 -15.176 -15.812 391 HE ARG 50 HE ARG 50 7.359 -15.550 -15.707 392 1HH1 ARG 50 1HH1 ARG 50 10.354 -16.557 -17.222 393 2HH1 ARG 50 2HH1 ARG 50 9.573 -17.151 -18.648 394 1HH2 ARG 50 1HH2 ARG 50 6.339 -16.334 -17.588 395 2HH2 ARG 50 2HH2 ARG 50 7.296 -17.025 -18.857 396 H ASP 51 HN ASP 51 13.109 -14.361 -12.157 397 HA ASP 51 HA ASP 51 15.002 -16.139 -11.141 398 1HB ASP 51 HB2 ASP 51 15.615 -14.004 -12.170 399 2HB ASP 51 HB1 ASP 51 14.877 -13.130 -10.832 400 H LEU 52 HN LEU 52 13.231 -13.608 -9.353 401 HA LEU 52 HA LEU 52 14.107 -14.448 -6.798 402 1HB LEU 52 HB2 LEU 52 12.049 -12.581 -7.845 403 2HB LEU 52 HB1 LEU 52 11.861 -13.124 -6.189 404 HG LEU 52 HG LEU 52 14.289 -12.357 -5.848 405 1HD1 LEU 52 1HD1 LEU 52 14.800 -12.135 -8.257 406 2HD1 LEU 52 3HD1 LEU 52 13.664 -10.790 -8.345 407 3HD1 LEU 52 2HD1 LEU 52 15.110 -10.659 -7.343 408 1HD2 LEU 52 1HD2 LEU 52 12.361 -11.209 -4.898 409 2HD2 LEU 52 3HD2 LEU 52 13.578 -10.053 -5.437 410 3HD2 LEU 52 2HD2 LEU 52 12.131 -10.326 -6.407 411 H TYR 53 HN TYR 53 11.539 -15.530 -8.877 412 HA TYR 53 HA TYR 53 9.895 -16.742 -6.909 413 1HB TYR 53 HB2 TYR 53 10.143 -16.877 -9.871 414 2HB TYR 53 HB1 TYR 53 9.329 -18.220 -9.078 415 HD1 TYR 53 HD1 TYR 53 9.252 -14.616 -8.139 416 HD2 TYR 53 HD2 TYR 53 7.097 -17.930 -9.714 417 HE1 TYR 53 HE1 TYR 53 7.179 -13.299 -8.057 418 HE2 TYR 53 HE2 TYR 53 5.017 -16.621 -9.635 419 HH TYR 53 HH TYR 53 4.697 -13.673 -9.624 420 H SER 54 HN SER 54 12.534 -17.964 -8.950 421 HA SER 54 HA SER 54 12.422 -20.652 -8.139 422 1HB SER 54 HB2 SER 54 14.813 -19.037 -9.066 423 2HB SER 54 HB1 SER 54 14.753 -20.796 -8.965 424 HG SER 54 HG SER 54 13.461 -20.871 -10.675 425 H LYS 55 HN LYS 55 14.321 -17.918 -6.882 426 HA LYS 55 HA LYS 55 15.713 -19.334 -4.891 427 1HB LYS 55 HB2 LYS 55 14.976 -16.434 -5.219 428 2HB LYS 55 HB1 LYS 55 15.834 -16.998 -3.793 429 1HG LYS 55 HG2 LYS 55 17.774 -17.150 -4.882 430 2HG LYS 55 HG1 LYS 55 17.030 -17.917 -6.285 431 1HD LYS 55 HD2 LYS 55 16.134 -15.600 -6.867 432 2HD LYS 55 HD1 LYS 55 17.266 -14.985 -5.662 433 1HE LYS 55 HE2 LYS 55 18.370 -14.832 -7.750 434 2HE LYS 55 HE1 LYS 55 19.082 -16.209 -6.911 435 1HZ LYS 55 HZ2 LYS 55 16.859 -16.568 -8.825 436 2HZ LYS 55 HZ1 LYS 55 18.463 -16.488 -9.353 437 3HZ LYS 55 HZ3 LYS 55 17.984 -17.710 -8.286 438 H SER 56 HN SER 56 12.688 -17.457 -4.719 439 HA SER 56 HA SER 56 12.205 -17.857 -1.981 440 1HB SER 56 HB2 SER 56 9.928 -17.115 -2.439 441 2HB SER 56 HB1 SER 56 11.083 -16.124 -3.330 442 HG SER 56 HG SER 56 9.581 -16.638 -4.811 443 H THR 57 HN THR 57 11.898 -20.125 -4.571 444 HA THR 57 HA THR 57 9.759 -21.684 -3.693 445 HB THR 57 HB THR 57 12.286 -22.677 -5.031 446 HG1 THR 57 HG1 THR 57 9.918 -21.577 -6.138 447 1HG2 THR 57 1HG2 THR 57 9.494 -23.798 -5.003 448 2HG2 THR 57 3HG2 THR 57 10.796 -24.349 -6.059 449 3HG2 THR 57 2HG2 THR 57 10.943 -24.529 -4.310 450 H ALA 58 HN ALA 58 13.241 -22.191 -3.054 451 HA ALA 58 HA ALA 58 12.610 -24.067 -0.924 452 1HB ALA 58 HB3 ALA 58 14.433 -24.593 -2.453 453 2HB ALA 58 HB2 ALA 58 15.279 -23.124 -1.966 454 3HB ALA 58 HB1 ALA 58 15.025 -24.423 -0.801 455 H ALA 59 HN ALA 59 14.099 -20.864 -1.285 456 HA ALA 59 HA ALA 59 14.888 -20.512 1.389 457 1HB ALA 59 HB3 ALA 59 15.089 -18.158 0.862 458 2HB ALA 59 HB1 ALA 59 14.112 -18.374 -0.590 459 3HB ALA 59 HB2 ALA 59 15.700 -19.131 -0.476 460 H MET 60 HN MET 60 12.043 -19.066 -0.240 461 HA MET 60 HA MET 60 10.875 -18.066 2.107 462 1HB MET 60 HB2 MET 60 10.370 -17.662 -0.471 463 2HB MET 60 HB1 MET 60 9.111 -18.849 -0.158 464 1HG MET 60 HG2 MET 60 8.574 -17.295 1.876 465 2HG MET 60 HG1 MET 60 9.428 -16.091 0.911 466 1HE MET 60 HE2 MET 60 6.987 -14.915 1.385 467 2HE MET 60 HE1 MET 60 5.515 -15.386 0.536 468 3HE MET 60 HE3 MET 60 6.108 -16.360 1.881 469 H SER 61 HN SER 61 11.032 -21.310 1.000 470 HA SER 61 HA SER 61 8.584 -22.283 2.035 471 1HB SER 61 HB2 SER 61 10.357 -23.403 0.443 472 2HB SER 61 HB1 SER 61 11.025 -24.014 1.955 473 HG SER 61 HG SER 61 9.326 -25.266 2.216 474 H THR 62 HN THR 62 11.467 -21.271 3.600 475 HA THR 62 HA THR 62 10.802 -22.745 6.045 476 HB THR 62 HB THR 62 13.011 -21.919 6.869 477 HG1 THR 62 HG1 THR 62 13.714 -20.250 5.804 478 1HG2 THR 62 1HG2 THR 62 12.840 -24.108 5.728 479 2HG2 THR 62 3HG2 THR 62 13.268 -23.309 4.215 480 3HG2 THR 62 2HG2 THR 62 14.415 -23.333 5.555 481 H TYR 63 HN TYR 63 11.525 -19.436 4.940 482 HA TYR 63 HA TYR 63 10.872 -18.155 7.352 483 1HB TYR 63 HB2 TYR 63 12.243 -17.141 5.532 484 2HB TYR 63 HB1 TYR 63 10.786 -17.001 4.557 485 HD1 TYR 63 HD1 TYR 63 12.392 -15.848 7.693 486 HD2 TYR 63 HD2 TYR 63 9.307 -15.177 4.839 487 HE1 TYR 63 HE1 TYR 63 11.926 -13.662 8.718 488 HE2 TYR 63 HE2 TYR 63 8.835 -12.989 5.856 489 HH TYR 63 HH TYR 63 9.691 -12.095 8.785 490 H THR 64 HN THR 64 8.896 -19.514 4.858 491 HA THR 64 HA THR 64 6.627 -17.848 5.278 492 HB THR 64 HB THR 64 7.052 -20.498 3.944 493 HG1 THR 64 HG1 THR 64 6.030 -17.993 3.089 494 1HG2 THR 64 3HG2 THR 64 4.380 -19.310 4.608 495 2HG2 THR 64 2HG2 THR 64 4.629 -20.373 3.223 496 3HG2 THR 64 1HG2 THR 64 4.943 -20.962 4.856 497 H GLY 65 HN GLY 65 7.269 -21.199 6.286 498 1HA GLY 65 HA1 GLY 65 6.499 -22.388 8.100 499 2HA GLY 65 HA2 GLY 65 5.102 -21.317 8.107 500 H ILE 66 HN ILE 66 8.486 -20.375 8.423 501 HA ILE 66 HA ILE 66 8.562 -20.153 11.242 502 HB ILE 66 HB ILE 66 10.231 -18.884 9.074 503 1HG1 ILE 66 2HG1 ILE 66 11.085 -20.837 11.204 504 2HG1 ILE 66 1HG1 ILE 66 10.349 -21.380 9.699 505 1HG2 ILE 66 1HG2 ILE 66 10.379 -18.474 12.045 506 2HG2 ILE 66 3HG2 ILE 66 11.794 -18.289 11.010 507 3HG2 ILE 66 2HG2 ILE 66 10.380 -17.264 10.761 508 1HD1 ILE 66 1HD1 ILE 66 12.237 -19.851 8.655 509 2HD1 ILE 66 3HD1 ILE 66 13.021 -20.205 10.195 510 3HD1 ILE 66 2HD1 ILE 66 12.539 -21.523 9.129 511 H PHE 67 HN PHE 67 8.252 -17.616 8.746 512 HA PHE 67 HA PHE 67 7.830 -15.432 10.389 513 1HB PHE 67 HB2 PHE 67 8.120 -15.171 7.993 514 2HB PHE 67 HB1 PHE 67 6.595 -15.995 7.684 515 HD1 PHE 67 HD1 PHE 67 7.946 -13.030 9.497 516 HD2 PHE 67 HD2 PHE 67 4.706 -14.731 7.324 517 HE1 PHE 67 HE1 PHE 67 6.772 -10.870 9.563 518 HE2 PHE 67 HE2 PHE 67 3.527 -12.573 7.385 519 HZ PHE 67 HZ PHE 67 4.561 -10.639 8.505 520 H THR 68 HN THR 68 5.283 -17.441 8.900 521 HA THR 68 HA THR 68 3.155 -16.241 10.300 522 HB THR 68 HB THR 68 1.823 -18.190 9.565 523 HG1 THR 68 HG1 THR 68 3.061 -19.927 9.557 524 1HG2 THR 68 1HG2 THR 68 2.262 -16.343 7.976 525 2HG2 THR 68 3HG2 THR 68 3.633 -17.261 7.352 526 3HG2 THR 68 2HG2 THR 68 1.998 -17.907 7.204 527 H ASP 69 HN ASP 69 5.455 -18.604 11.262 528 HA ASP 69 HA ASP 69 4.017 -20.035 13.186 529 1HB ASP 69 HB2 ASP 69 6.682 -19.925 12.367 530 2HB ASP 69 HB1 ASP 69 6.733 -19.477 14.068 531 H GLN 70 HN GLN 70 6.114 -17.192 13.736 532 HA GLN 70 HA GLN 70 5.223 -16.820 16.411 533 1HB GLN 70 HB2 GLN 70 7.156 -15.618 14.639 534 2HB GLN 70 HB1 GLN 70 6.251 -14.370 15.483 535 1HG GLN 70 HG2 GLN 70 7.823 -16.619 16.719 536 2HG GLN 70 HG1 GLN 70 8.227 -14.902 16.730 537 1HE2 GLN 70 1HE2 GLN 70 6.459 -13.490 17.713 538 2HE2 GLN 70 2HE2 GLN 70 5.738 -14.077 19.168 539 H VAL 71 HN VAL 71 4.014 -15.779 13.337 540 HA VAL 71 HA VAL 71 2.490 -13.548 14.222 541 HB VAL 71 HB VAL 71 2.128 -15.333 11.801 542 1HG1 VAL 71 3HG1 VAL 71 0.704 -12.816 12.622 543 2HG1 VAL 71 2HG1 VAL 71 0.785 -13.350 10.944 544 3HG1 VAL 71 1HG1 VAL 71 0.010 -14.369 12.157 545 1HG2 VAL 71 1HG2 VAL 71 4.179 -13.674 12.238 546 2HG2 VAL 71 3HG2 VAL 71 3.489 -13.940 10.638 547 3HG2 VAL 71 2HG2 VAL 71 3.023 -12.520 11.574 548 H LEU 72 HN LEU 72 1.639 -16.898 13.433 549 HA LEU 72 HA LEU 72 -1.020 -16.854 14.298 550 1HB LEU 72 HB2 LEU 72 0.986 -19.110 14.196 551 2HB LEU 72 HB1 LEU 72 -0.708 -19.344 14.580 552 HG LEU 72 HG LEU 72 0.060 -18.005 12.014 553 1HD1 LEU 72 2HD1 LEU 72 1.379 -20.099 12.192 554 2HD1 LEU 72 1HD1 LEU 72 -0.132 -20.989 12.383 555 3HD1 LEU 72 3HD1 LEU 72 0.195 -20.117 10.886 556 1HD2 LEU 72 1HD2 LEU 72 -2.284 -18.004 12.720 557 2HD2 LEU 72 3HD2 LEU 72 -2.046 -18.963 11.260 558 3HD2 LEU 72 2HD2 LEU 72 -2.254 -19.765 12.817 559 H SER 73 HN SER 73 2.027 -17.299 15.997 560 HA SER 73 HA SER 73 1.022 -18.203 18.450 561 1HB SER 73 HB2 SER 73 3.173 -18.077 19.147 562 2HB SER 73 HB1 SER 73 3.532 -17.644 17.478 563 HG SER 73 HG SER 73 3.680 -15.548 18.037 564 H VAL 74 HN VAL 74 1.281 -14.964 17.131 565 HA VAL 74 HA VAL 74 0.542 -13.621 19.543 566 HB VAL 74 HB VAL 74 0.193 -12.550 16.740 567 1HG1 VAL 74 1HG1 VAL 74 0.613 -11.207 19.408 568 2HG1 VAL 74 3HG1 VAL 74 0.576 -10.375 17.854 569 3HG1 VAL 74 2HG1 VAL 74 -0.864 -11.204 18.444 570 1HG2 VAL 74 1HG2 VAL 74 2.642 -13.170 18.212 571 2HG2 VAL 74 3HG2 VAL 74 2.404 -12.821 16.500 572 3HG2 VAL 74 2HG2 VAL 74 2.554 -11.499 17.656 573 H LEU 75 HN LEU 75 -1.210 -15.380 17.161 574 HA LEU 75 HA LEU 75 -3.713 -14.070 17.330 575 1HB LEU 75 HB2 LEU 75 -2.678 -16.219 15.905 576 2HB LEU 75 HB1 LEU 75 -3.904 -16.946 16.925 577 HG LEU 75 HG LEU 75 -4.938 -16.431 14.851 578 1HD1 LEU 75 1HD1 LEU 75 -6.250 -15.906 16.876 579 2HD1 LEU 75 3HD1 LEU 75 -5.697 -14.235 16.769 580 3HD1 LEU 75 2HD1 LEU 75 -6.698 -14.915 15.488 581 1HD2 LEU 75 3HD2 LEU 75 -3.580 -13.774 15.140 582 2HD2 LEU 75 2HD2 LEU 75 -3.504 -14.919 13.801 583 3HD2 LEU 75 1HD2 LEU 75 -4.974 -13.987 14.083 584 H LYS 76 HN LYS 76 -2.167 -16.584 19.182 585 HA LYS 76 HA LYS 76 -4.423 -17.236 20.804 586 1HB LYS 76 HB2 LYS 76 -1.469 -17.691 21.270 587 2HB LYS 76 HB1 LYS 76 -2.756 -18.385 22.245 588 1HG LYS 76 HG2 LYS 76 -3.527 -19.715 20.438 589 2HG LYS 76 HG1 LYS 76 -2.497 -18.861 19.287 590 1HD LYS 76 HD2 LYS 76 -0.510 -19.743 20.394 591 2HD LYS 76 HD1 LYS 76 -1.524 -20.568 21.579 592 1HE LYS 76 HE2 LYS 76 -2.592 -21.771 19.622 593 2HE LYS 76 HE1 LYS 76 -1.288 -21.119 18.630 594 1HZ LYS 76 HZ1 LYS 76 -0.939 -22.856 21.015 595 2HZ LYS 76 HZ3 LYS 76 -0.784 -23.350 19.404 596 3HZ LYS 76 HZ2 LYS 76 0.309 -22.236 20.057 597 H GLY 77 HN GLY 77 -1.772 -14.928 21.041 598 1HA GLY 77 HA1 GLY 77 -1.299 -13.276 22.565 599 2HA GLY 77 HA2 GLY 77 -2.193 -14.204 23.759 600 H GLU 78 HN GLU 78 -2.392 -11.703 21.312 601 HA GLU 78 HA GLU 78 -5.204 -11.208 21.817 602 1HB GLU 78 HB2 GLU 78 -3.413 -10.057 23.549 603 2HB GLU 78 HB1 GLU 78 -3.637 -8.786 22.355 604 1HG GLU 78 HG2 GLU 78 -5.206 -8.422 24.091 605 2HG GLU 78 HG1 GLU 78 -6.099 -9.010 22.689 606 H GLU 79 HN GLU 79 -3.679 -11.798 19.416 607 HA GLU 79 HA GLU 79 -4.709 -9.737 17.742 608 1HB GLU 79 HB2 GLU 79 -2.245 -9.101 18.728 609 2HB GLU 79 HB1 GLU 79 -1.808 -9.928 17.240 610 1HG GLU 79 HG2 GLU 79 -1.958 -7.629 16.732 611 2HG GLU 79 HG1 GLU 79 -3.383 -8.398 16.034 No H/Q in entry = 611 Start of MODEL 36 1 H1 THR 1 HT3 THR 1 13.965 -21.841 34.083 2 H2 THR 1 HT2 THR 1 15.080 -22.750 33.147 3 H3 THR 1 HT1 THR 1 15.112 -21.036 33.095 4 HA THR 1 HA THR 1 14.108 -21.876 31.141 5 HB THR 1 HB THR 1 11.876 -23.089 31.462 6 HG1 THR 1 HG1 THR 1 11.365 -23.005 33.531 7 1HG2 THR 1 3HG2 THR 1 14.019 -24.217 30.784 8 2HG2 THR 1 2HG2 THR 1 14.218 -24.665 32.478 9 3HG2 THR 1 1HG2 THR 1 12.819 -25.241 31.572 10 H GLN 2 HN GLN 2 12.627 -20.574 30.103 11 HA GLN 2 HA GLN 2 11.305 -18.762 29.753 12 1HB GLN 2 HB2 GLN 2 9.785 -20.371 31.133 13 2HB GLN 2 HB1 GLN 2 10.011 -19.200 32.424 14 1HG GLN 2 HG2 GLN 2 9.307 -17.535 30.459 15 2HG GLN 2 HG1 GLN 2 8.474 -18.989 29.915 16 1HE2 GLN 2 1HE2 GLN 2 8.865 -16.805 32.657 17 2HE2 GLN 2 2HE2 GLN 2 7.299 -17.081 33.331 18 H GLN 3 HN GLN 3 13.783 -18.136 30.735 19 HA GLN 3 HA GLN 3 13.746 -16.448 33.010 20 1HB GLN 3 HB2 GLN 3 15.674 -17.212 30.943 21 2HB GLN 3 HB1 GLN 3 15.880 -15.562 31.515 22 1HG GLN 3 HG2 GLN 3 17.266 -17.083 32.781 23 2HG GLN 3 HG1 GLN 3 16.026 -16.374 33.813 24 1HE2 GLN 3 1HE2 GLN 3 14.390 -17.675 34.631 25 2HE2 GLN 3 2HE2 GLN 3 14.458 -19.399 34.567 26 HA PRO 4 HA PRO 4 13.744 -12.802 29.664 27 1HB PRO 4 HB2 PRO 4 12.173 -13.576 27.480 28 2HB PRO 4 HB1 PRO 4 13.928 -13.387 27.485 29 1HG PRO 4 HG2 PRO 4 12.286 -15.858 27.771 30 2HG PRO 4 HG1 PRO 4 13.836 -15.626 26.942 31 1HD PRO 4 HD2 PRO 4 13.707 -16.833 29.319 32 2HD PRO 4 HD1 PRO 4 15.050 -15.743 28.920 33 H GLN 5 HN GLN 5 11.019 -15.101 29.767 34 HA GLN 5 HA GLN 5 9.023 -13.060 29.830 35 1HB GLN 5 HB2 GLN 5 8.844 -15.590 29.158 36 2HB GLN 5 HB1 GLN 5 8.527 -15.823 30.871 37 1HG GLN 5 HG2 GLN 5 6.924 -13.669 29.862 38 2HG GLN 5 HG1 GLN 5 6.710 -15.109 28.866 39 1HE2 GLN 5 1HE2 GLN 5 6.608 -13.909 32.182 40 2HE2 GLN 5 2HE2 GLN 5 5.467 -15.071 32.758 41 H GLN 6 HN GLN 6 10.583 -15.079 32.306 42 HA GLN 6 HA GLN 6 9.029 -14.122 34.481 43 1HB GLN 6 HB2 GLN 6 11.470 -15.759 34.143 44 2HB GLN 6 HB1 GLN 6 11.339 -14.910 35.676 45 1HG GLN 6 HG2 GLN 6 9.708 -16.244 36.424 46 2HG GLN 6 HG1 GLN 6 8.902 -16.312 34.858 47 1HE2 GLN 6 1HE2 GLN 6 12.155 -17.275 35.939 48 2HE2 GLN 6 2HE2 GLN 6 12.028 -18.912 35.403 49 H ASP 7 HN ASP 7 12.534 -13.594 34.078 50 HA ASP 7 HA ASP 7 12.477 -11.182 35.598 51 1HB ASP 7 HB2 ASP 7 14.474 -12.555 35.609 52 2HB ASP 7 HB1 ASP 7 14.635 -12.404 33.863 53 H GLU 8 HN GLU 8 12.275 -9.113 34.949 54 HA GLU 8 HA GLU 8 11.375 -8.549 32.307 55 1HB GLU 8 HB2 GLU 8 12.177 -6.655 34.526 56 2HB GLU 8 HB1 GLU 8 11.334 -6.193 33.055 57 1HG GLU 8 HG2 GLU 8 10.322 -7.890 35.316 58 2HG GLU 8 HG1 GLU 8 9.705 -6.338 34.753 59 H MET 9 HN MET 9 12.905 -8.978 30.781 60 HA MET 9 HA MET 9 15.633 -8.219 30.992 61 1HB MET 9 HB2 MET 9 14.021 -8.910 28.528 62 2HB MET 9 HB1 MET 9 15.774 -8.822 28.609 63 1HG MET 9 HG2 MET 9 14.055 -10.741 30.166 64 2HG MET 9 HG1 MET 9 14.931 -11.123 28.685 65 1HE MET 9 HE3 MET 9 14.802 -12.208 31.751 66 2HE MET 9 HE2 MET 9 15.888 -13.225 30.805 67 3HE MET 9 HE1 MET 9 16.446 -12.507 32.316 68 HA PRO 10 HA PRO 10 15.431 -3.946 29.853 69 1HB PRO 10 HB2 PRO 10 17.938 -3.617 28.852 70 2HB PRO 10 HB1 PRO 10 17.601 -3.763 30.581 71 1HG PRO 10 HG2 PRO 10 18.564 -5.844 28.656 72 2HG PRO 10 HG1 PRO 10 19.108 -5.513 30.312 73 1HD PRO 10 HD2 PRO 10 17.410 -7.533 29.719 74 2HD PRO 10 HD1 PRO 10 17.334 -6.647 31.255 75 H SER 11 HN SER 11 14.982 -2.682 28.088 76 HA SER 11 HA SER 11 14.443 -4.004 25.616 77 1HB SER 11 HB2 SER 11 14.229 -1.130 26.508 78 2HB SER 11 HB1 SER 11 13.852 -1.631 24.859 79 HG SER 11 HG SER 11 12.507 -2.185 27.247 80 HA PRO 12 HA PRO 12 18.561 -3.259 23.975 81 1HB PRO 12 HB2 PRO 12 18.257 -4.666 21.696 82 2HB PRO 12 HB1 PRO 12 18.471 -5.453 23.265 83 1HG PRO 12 HG2 PRO 12 15.956 -4.973 21.715 84 2HG PRO 12 HG1 PRO 12 16.470 -6.426 22.590 85 1HD PRO 12 HD2 PRO 12 14.709 -4.609 23.606 86 2HD PRO 12 HD1 PRO 12 15.780 -5.600 24.617 87 H THR 13 HN THR 13 19.483 -2.274 22.038 88 HA THR 13 HA THR 13 17.957 -0.031 21.152 89 HB THR 13 HB THR 13 20.043 0.233 19.594 90 HG1 THR 13 HG1 THR 13 20.848 -1.860 19.833 91 1HG2 THR 13 3HG2 THR 13 19.663 1.568 21.629 92 2HG2 THR 13 2HG2 THR 13 20.463 0.308 22.569 93 3HG2 THR 13 1HG2 THR 13 21.364 1.200 21.344 94 H PHE 14 HN PHE 14 16.179 -0.783 20.016 95 HA PHE 14 HA PHE 14 16.724 -2.222 17.508 96 1HB PHE 14 HB2 PHE 14 15.130 -3.307 19.072 97 2HB PHE 14 HB1 PHE 14 14.090 -1.891 18.966 98 HD1 PHE 14 HD1 PHE 14 12.682 -1.528 17.076 99 HD2 PHE 14 HD2 PHE 14 15.420 -4.786 17.131 100 HE1 PHE 14 HE1 PHE 14 11.561 -2.498 15.113 101 HE2 PHE 14 HE2 PHE 14 14.303 -5.762 15.169 102 HZ PHE 14 HZ PHE 14 12.371 -4.618 14.156 103 H LEU 15 HN LEU 15 14.354 0.187 18.688 104 HA LEU 15 HA LEU 15 13.796 1.259 16.145 105 1HB LEU 15 HB2 LEU 15 13.485 2.472 18.891 106 2HB LEU 15 HB1 LEU 15 12.845 3.188 17.425 107 HG LEU 15 HG LEU 15 12.064 0.438 18.384 108 1HD1 LEU 15 1HD1 LEU 15 11.457 2.120 20.064 109 2HD1 LEU 15 3HD1 LEU 15 10.612 3.044 18.820 110 3HD1 LEU 15 2HD1 LEU 15 10.039 1.436 19.267 111 1HD2 LEU 15 2HD2 LEU 15 10.881 2.331 16.357 112 2HD2 LEU 15 1HD2 LEU 15 11.675 0.790 16.031 113 3HD2 LEU 15 3HD2 LEU 15 10.133 0.824 16.887 114 H THR 16 HN THR 16 16.016 2.316 18.708 115 HA THR 16 HA THR 16 16.929 4.674 17.525 116 HB THR 16 HB THR 16 19.034 4.235 18.903 117 HG1 THR 16 HG1 THR 16 19.153 2.111 19.197 118 1HG2 THR 16 1HG2 THR 16 17.134 5.516 19.800 119 2HG2 THR 16 3HG2 THR 16 16.438 4.013 20.406 120 3HG2 THR 16 2HG2 THR 16 17.985 4.585 21.034 121 H GLN 17 HN GLN 17 18.026 1.332 17.122 122 HA GLN 17 HA GLN 17 20.309 1.852 15.572 123 1HB GLN 17 HB2 GLN 17 19.212 -0.380 16.647 124 2HB GLN 17 HB1 GLN 17 18.799 -0.614 14.954 125 1HG GLN 17 HG2 GLN 17 20.921 -1.024 14.356 126 2HG GLN 17 HG1 GLN 17 21.579 0.184 15.458 127 1HE2 GLN 17 1HE2 GLN 17 22.044 -0.398 17.589 128 2HE2 GLN 17 2HE2 GLN 17 22.177 -2.050 18.076 129 H VAL 18 HN VAL 18 16.980 1.080 14.592 130 HA VAL 18 HA VAL 18 16.923 0.806 11.970 131 HB VAL 18 HB VAL 18 15.194 2.817 13.414 132 1HG1 VAL 18 2HG1 VAL 18 14.953 1.544 10.704 133 2HG1 VAL 18 1HG1 VAL 18 13.549 2.161 11.573 134 3HG1 VAL 18 3HG1 VAL 18 14.862 3.252 11.133 135 1HG2 VAL 18 2HG2 VAL 18 15.140 -0.149 13.143 136 2HG2 VAL 18 1HG2 VAL 18 14.756 0.866 14.533 137 3HG2 VAL 18 3HG2 VAL 18 13.609 0.725 13.203 138 H LYS 19 HN LYS 19 17.431 4.032 13.418 139 HA LYS 19 HA LYS 19 17.452 5.576 11.140 140 1HB LYS 19 HB2 LYS 19 19.027 5.838 13.692 141 2HB LYS 19 HB1 LYS 19 19.087 7.056 12.427 142 1HG LYS 19 HG2 LYS 19 17.018 7.835 12.884 143 2HG LYS 19 HG1 LYS 19 16.397 6.244 13.329 144 1HD LYS 19 HD2 LYS 19 18.417 7.138 15.194 145 2HD LYS 19 HD1 LYS 19 17.112 8.318 15.054 146 1HE LYS 19 HE2 LYS 19 16.563 5.391 15.444 147 2HE LYS 19 HE1 LYS 19 16.873 6.464 16.808 148 1HZ LYS 19 HZ3 LYS 19 15.005 7.837 16.087 149 2HZ LYS 19 HZ2 LYS 19 14.698 6.775 14.807 150 3HZ LYS 19 HZ1 LYS 19 14.513 6.250 16.404 151 H GLU 20 HN GLU 20 20.205 3.803 12.529 152 HA GLU 20 HA GLU 20 22.112 4.691 10.653 153 1HB GLU 20 HB2 GLU 20 22.023 2.178 12.326 154 2HB GLU 20 HB1 GLU 20 23.416 2.675 11.375 155 1HG GLU 20 HG2 GLU 20 24.061 3.589 13.322 156 2HG GLU 20 HG1 GLU 20 23.026 4.915 12.793 157 H SER 21 HN SER 21 19.769 2.116 10.610 158 HA SER 21 HA SER 21 20.767 0.633 8.431 159 1HB SER 21 HB2 SER 21 18.877 0.049 10.123 160 2HB SER 21 HB1 SER 21 17.823 0.890 8.988 161 HG SER 21 HG SER 21 17.811 -1.187 8.320 162 H LEU 22 HN LEU 22 18.632 3.444 8.603 163 HA LEU 22 HA LEU 22 17.936 3.455 5.845 164 1HB LEU 22 HB2 LEU 22 17.677 5.384 8.108 165 2HB LEU 22 HB1 LEU 22 17.429 5.964 6.473 166 HG LEU 22 HG LEU 22 15.744 4.002 6.270 167 1HD1 LEU 22 2HD1 LEU 22 15.969 4.270 9.263 168 2HD1 LEU 22 1HD1 LEU 22 14.666 3.436 8.416 169 3HD1 LEU 22 3HD1 LEU 22 16.320 2.835 8.300 170 1HD2 LEU 22 3HD2 LEU 22 15.234 6.451 6.342 171 2HD2 LEU 22 2HD2 LEU 22 13.967 5.415 7.002 172 3HD2 LEU 22 1HD2 LEU 22 15.040 6.298 8.088 173 H SER 23 HN SER 23 20.294 5.355 7.744 174 HA SER 23 HA SER 23 21.245 6.918 5.629 175 1HB SER 23 HB2 SER 23 23.228 7.330 7.026 176 2HB SER 23 HB1 SER 23 21.748 7.429 7.980 177 HG SER 23 HG SER 23 22.212 5.512 8.919 178 H SER 24 HN SER 24 22.452 3.807 6.861 179 HA SER 24 HA SER 24 24.590 3.561 5.030 180 1HB SER 24 HB2 SER 24 23.034 1.428 6.512 181 2HB SER 24 HB1 SER 24 24.539 1.145 5.638 182 HG SER 24 HG SER 24 24.097 2.431 8.061 183 H TYR 25 HN TYR 25 21.191 3.169 4.656 184 HA TYR 25 HA TYR 25 21.333 1.423 2.369 185 1HB TYR 25 HB2 TYR 25 19.372 1.667 4.036 186 2HB TYR 25 HB1 TYR 25 18.952 3.108 3.118 187 HD1 TYR 25 HD1 TYR 25 18.991 -0.527 3.152 188 HD2 TYR 25 HD2 TYR 25 18.232 2.912 0.766 189 HE1 TYR 25 HE1 TYR 25 17.782 -1.925 1.532 190 HE2 TYR 25 HE2 TYR 25 17.020 1.524 -0.860 191 HH TYR 25 HH TYR 25 17.271 -1.441 -1.300 192 H TRP 26 HN TRP 26 20.911 4.884 2.967 193 HA TRP 26 HA TRP 26 20.375 5.660 0.310 194 1HB TRP 26 HB2 TRP 26 21.770 7.359 2.383 195 2HB TRP 26 HB1 TRP 26 20.804 7.909 1.019 196 HD1 TRP 26 HD1 TRP 26 20.303 8.520 4.227 197 HE1 TRP 26 HE1 TRP 26 17.950 8.061 5.159 198 HE3 TRP 26 HE3 TRP 26 18.606 5.304 0.625 199 HZ2 TRP 26 HZ2 TRP 26 15.679 6.544 4.465 200 HZ3 TRP 26 HZ3 TRP 26 16.331 4.395 0.840 201 HH2 TRP 26 HH2 TRP 26 14.898 5.004 2.720 202 H GLU 27 HN GLU 27 23.385 5.252 2.090 203 HA GLU 27 HA GLU 27 25.290 6.406 0.554 204 1HB GLU 27 HB2 GLU 27 25.195 4.002 2.246 205 2HB GLU 27 HB1 GLU 27 26.485 3.992 1.052 206 1HG GLU 27 HG2 GLU 27 27.435 4.922 2.971 207 2HG GLU 27 HG1 GLU 27 27.106 6.293 1.914 208 H SER 28 HN SER 28 24.128 3.080 0.020 209 HA SER 28 HA SER 28 25.246 3.092 -2.669 210 1HB SER 28 HB2 SER 28 23.930 0.936 -1.012 211 2HB SER 28 HB1 SER 28 24.442 0.694 -2.681 212 HG SER 28 HG SER 28 26.509 0.806 -2.086 213 H ALA 29 HN ALA 29 22.320 3.966 -1.232 214 HA ALA 29 HA ALA 29 20.412 2.968 -3.037 215 1HB ALA 29 HB3 ALA 29 19.759 3.988 -0.937 216 2HB ALA 29 HB1 ALA 29 18.975 4.813 -2.283 217 3HB ALA 29 HB2 ALA 29 20.362 5.551 -1.484 218 H LYS 30 HN LYS 30 22.476 5.844 -3.205 219 HA LYS 30 HA LYS 30 21.292 7.162 -5.331 220 1HB LYS 30 HB2 LYS 30 24.182 6.950 -4.509 221 2HB LYS 30 HB1 LYS 30 23.668 7.966 -5.848 222 1HG LYS 30 HG2 LYS 30 23.318 9.589 -4.386 223 2HG LYS 30 HG1 LYS 30 21.976 8.643 -3.739 224 1HD LYS 30 HD2 LYS 30 23.939 7.431 -2.437 225 2HD LYS 30 HD1 LYS 30 24.745 8.977 -2.704 226 1HE LYS 30 HE2 LYS 30 22.825 10.127 -1.672 227 2HE LYS 30 HE1 LYS 30 22.074 8.562 -1.364 228 1HZ LYS 30 HZ2 LYS 30 24.142 8.017 -0.061 229 2HZ LYS 30 HZ1 LYS 30 24.556 9.653 -0.170 230 3HZ LYS 30 HZ3 LYS 30 23.133 9.190 0.622 231 H THR 31 HN THR 31 23.928 4.780 -5.544 232 HA THR 31 HA THR 31 24.184 4.595 -8.279 233 HB THR 31 HB THR 31 24.265 2.201 -6.434 234 HG1 THR 31 HG1 THR 31 26.232 4.203 -6.842 235 1HG2 THR 31 2HG2 THR 31 25.822 2.864 -8.921 236 2HG2 THR 31 1HG2 THR 31 26.118 1.477 -7.871 237 3HG2 THR 31 3HG2 THR 31 24.593 1.612 -8.745 238 H ALA 32 HN ALA 32 21.803 3.129 -6.149 239 HA ALA 32 HA ALA 32 20.540 1.468 -8.048 240 1HB ALA 32 HB2 ALA 32 18.927 2.703 -5.876 241 2HB ALA 32 HB1 ALA 32 18.983 1.030 -6.433 242 3HB ALA 32 HB3 ALA 32 20.282 1.668 -5.424 243 H ALA 33 HN ALA 33 19.917 4.825 -7.031 244 HA ALA 33 HA ALA 33 17.617 5.362 -8.450 245 1HB ALA 33 HB3 ALA 33 18.880 6.899 -6.867 246 2HB ALA 33 HB2 ALA 33 19.865 7.348 -8.260 247 3HB ALA 33 HB1 ALA 33 18.128 7.657 -8.271 248 H GLN 34 HN GLN 34 20.944 5.778 -9.640 249 HA GLN 34 HA GLN 34 20.180 6.463 -12.275 250 1HB GLN 34 HB2 GLN 34 22.751 5.311 -11.177 251 2HB GLN 34 HB1 GLN 34 22.554 5.812 -12.849 252 1HG GLN 34 HG2 GLN 34 23.511 7.681 -11.970 253 2HG GLN 34 HG1 GLN 34 21.805 8.075 -11.758 254 1HE2 GLN 34 1HE2 GLN 34 24.472 6.460 -10.048 255 2HE2 GLN 34 2HE2 GLN 34 24.060 7.069 -8.485 256 H ASN 35 HN ASN 35 20.886 3.423 -10.654 257 HA ASN 35 HA ASN 35 20.880 1.753 -12.925 258 1HB ASN 35 HB2 ASN 35 21.551 1.256 -10.436 259 2HB ASN 35 HB1 ASN 35 19.864 0.776 -10.279 260 1HD2 ASN 35 1HD2 ASN 35 19.099 -0.990 -11.514 261 2HD2 ASN 35 2HD2 ASN 35 20.190 -2.173 -12.143 262 H LEU 36 HN LEU 36 18.305 3.206 -11.122 263 HA LEU 36 HA LEU 36 16.159 1.551 -11.808 264 1HB LEU 36 HB2 LEU 36 16.239 3.626 -10.236 265 2HB LEU 36 HB1 LEU 36 15.904 4.546 -11.689 266 HG LEU 36 HG LEU 36 14.104 2.257 -11.103 267 1HD1 LEU 36 2HD1 LEU 36 13.998 4.854 -9.575 268 2HD1 LEU 36 1HD1 LEU 36 12.755 3.601 -9.570 269 3HD1 LEU 36 3HD1 LEU 36 14.353 3.264 -8.902 270 1HD2 LEU 36 3HD2 LEU 36 13.725 5.055 -12.163 271 2HD2 LEU 36 2HD2 LEU 36 13.745 3.559 -13.096 272 3HD2 LEU 36 1HD2 LEU 36 12.434 3.873 -11.960 273 H TYR 37 HN TYR 37 17.623 4.328 -13.388 274 HA TYR 37 HA TYR 37 15.983 4.337 -15.703 275 1HB TYR 37 HB2 TYR 37 18.067 5.917 -14.709 276 2HB TYR 37 HB1 TYR 37 18.702 5.246 -16.207 277 HD1 TYR 37 HD1 TYR 37 17.459 8.111 -15.093 278 HD2 TYR 37 HD2 TYR 37 16.429 5.165 -17.986 279 HE1 TYR 37 HE1 TYR 37 16.214 9.806 -16.370 280 HE2 TYR 37 HE2 TYR 37 15.184 6.850 -19.269 281 HH TYR 37 HH TYR 37 15.522 9.824 -19.218 282 H GLU 38 HN GLU 38 18.948 2.671 -14.796 283 HA GLU 38 HA GLU 38 19.683 1.641 -17.290 284 1HB GLU 38 HB2 GLU 38 21.129 1.546 -15.293 285 2HB GLU 38 HB1 GLU 38 20.061 0.345 -14.586 286 1HG GLU 38 HG2 GLU 38 22.134 -0.577 -15.598 287 2HG GLU 38 HG1 GLU 38 20.641 -1.265 -16.232 288 H LYS 39 HN LYS 39 17.866 -0.041 -14.740 289 HA LYS 39 HA LYS 39 17.222 -2.303 -16.258 290 1HB LYS 39 HB2 LYS 39 17.044 -1.811 -13.687 291 2HB LYS 39 HB1 LYS 39 15.399 -1.339 -14.091 292 1HG LYS 39 HG2 LYS 39 14.978 -3.509 -13.671 293 2HG LYS 39 HG1 LYS 39 15.501 -3.708 -15.345 294 1HD LYS 39 HD2 LYS 39 16.813 -5.287 -14.337 295 2HD LYS 39 HD1 LYS 39 17.882 -3.887 -14.212 296 1HE LYS 39 HE2 LYS 39 16.688 -3.513 -11.933 297 2HE LYS 39 HE1 LYS 39 16.227 -5.206 -12.095 298 1HZ LYS 39 HZ3 LYS 39 18.627 -5.714 -12.378 299 2HZ LYS 39 HZ2 LYS 39 18.981 -4.103 -12.007 300 3HZ LYS 39 HZ1 LYS 39 18.238 -5.091 -10.854 301 H THR 40 HN THR 40 16.028 0.855 -16.640 302 HA THR 40 HA THR 40 13.336 0.296 -17.328 303 HB THR 40 HB THR 40 15.130 2.545 -18.266 304 HG1 THR 40 HG1 THR 40 14.861 2.636 -16.059 305 1HG2 THR 40 1HG2 THR 40 12.142 2.260 -18.410 306 2HG2 THR 40 3HG2 THR 40 13.002 3.789 -18.587 307 3HG2 THR 40 2HG2 THR 40 13.270 2.487 -19.746 308 H TYR 41 HN TYR 41 16.180 0.841 -19.366 309 HA TYR 41 HA TYR 41 14.943 0.102 -21.803 310 1HB TYR 41 HB2 TYR 41 17.033 1.480 -21.565 311 2HB TYR 41 HB1 TYR 41 17.896 0.001 -21.161 312 HD1 TYR 41 HD1 TYR 41 18.591 -1.516 -22.860 313 HD2 TYR 41 HD2 TYR 41 16.053 1.755 -23.845 314 HE1 TYR 41 HE1 TYR 41 18.982 -1.939 -25.249 315 HE2 TYR 41 HE2 TYR 41 16.436 1.339 -26.238 316 HH TYR 41 HH TYR 41 17.296 -1.183 -27.555 317 H LEU 42 HN LEU 42 16.780 -1.729 -19.400 318 HA LEU 42 HA LEU 42 17.091 -4.092 -20.924 319 1HB LEU 42 HB2 LEU 42 17.155 -3.567 -17.961 320 2HB LEU 42 HB1 LEU 42 17.457 -5.153 -18.645 321 HG LEU 42 HG LEU 42 19.072 -2.845 -19.632 322 1HD1 LEU 42 3HD1 LEU 42 19.092 -2.650 -17.175 323 2HD1 LEU 42 2HD1 LEU 42 19.654 -4.319 -17.068 324 3HD1 LEU 42 1HD1 LEU 42 20.666 -3.093 -17.836 325 1HD2 LEU 42 2HD2 LEU 42 19.289 -5.029 -20.695 326 2HD2 LEU 42 1HD2 LEU 42 20.775 -4.584 -19.856 327 3HD2 LEU 42 3HD2 LEU 42 19.673 -5.759 -19.136 328 HA PRO 43 HA PRO 43 13.022 -5.837 -20.383 329 1HB PRO 43 HB2 PRO 43 13.381 -8.068 -21.786 330 2HB PRO 43 HB1 PRO 43 13.456 -6.486 -22.572 331 1HG PRO 43 HG2 PRO 43 15.671 -8.322 -21.794 332 2HG PRO 43 HG1 PRO 43 15.534 -7.261 -23.206 333 1HD PRO 43 HD2 PRO 43 16.930 -6.707 -20.820 334 2HD PRO 43 HD1 PRO 43 16.536 -5.550 -22.105 335 H ALA 44 HN ALA 44 15.429 -6.542 -18.429 336 HA ALA 44 HA ALA 44 15.092 -9.231 -17.644 337 1HB ALA 44 HB3 ALA 44 16.026 -7.019 -15.839 338 2HB ALA 44 HB1 ALA 44 17.033 -7.695 -17.119 339 3HB ALA 44 HB2 ALA 44 16.469 -8.727 -15.803 340 H VAL 45 HN VAL 45 13.092 -6.511 -17.140 341 HA VAL 45 HA VAL 45 11.971 -6.647 -14.703 342 HB VAL 45 HB VAL 45 10.392 -6.424 -17.271 343 1HG1 VAL 45 2HG1 VAL 45 9.717 -5.763 -14.418 344 2HG1 VAL 45 1HG1 VAL 45 8.878 -5.023 -15.781 345 3HG1 VAL 45 3HG1 VAL 45 8.822 -6.771 -15.555 346 1HG2 VAL 45 3HG2 VAL 45 12.005 -4.468 -15.683 347 2HG2 VAL 45 2HG2 VAL 45 11.938 -4.711 -17.429 348 3HG2 VAL 45 1HG2 VAL 45 10.600 -3.918 -16.598 349 H ASP 46 HN ASP 46 10.786 -8.658 -17.417 350 HA ASP 46 HA ASP 46 9.045 -10.198 -15.793 351 1HB ASP 46 HB2 ASP 46 10.174 -10.702 -18.550 352 2HB ASP 46 HB1 ASP 46 8.957 -11.723 -17.791 353 H GLU 47 HN GLU 47 12.417 -10.568 -16.708 354 HA GLU 47 HA GLU 47 12.668 -13.307 -15.989 355 1HB GLU 47 HB2 GLU 47 14.321 -11.383 -17.132 356 2HB GLU 47 HB1 GLU 47 15.106 -11.762 -15.605 357 1HG GLU 47 HG2 GLU 47 14.225 -13.893 -17.526 358 2HG GLU 47 HG1 GLU 47 15.801 -13.111 -17.636 359 H LYS 48 HN LYS 48 13.389 -10.301 -14.220 360 HA LYS 48 HA LYS 48 14.411 -11.375 -11.882 361 1HB LYS 48 HB2 LYS 48 13.919 -8.869 -12.736 362 2HB LYS 48 HB1 LYS 48 12.606 -9.043 -11.580 363 1HG LYS 48 HG2 LYS 48 13.986 -9.016 -9.798 364 2HG LYS 48 HG1 LYS 48 15.269 -9.887 -10.638 365 1HD LYS 48 HD2 LYS 48 14.611 -7.076 -11.423 366 2HD LYS 48 HD1 LYS 48 15.602 -7.382 -9.996 367 1HE LYS 48 HE2 LYS 48 17.265 -7.266 -11.537 368 2HE LYS 48 HE1 LYS 48 16.870 -8.974 -11.712 369 1HZ LYS 48 HZ1 LYS 48 15.508 -6.962 -13.382 370 2HZ LYS 48 HZ3 LYS 48 17.053 -7.508 -13.801 371 3HZ LYS 48 HZ2 LYS 48 15.770 -8.605 -13.691 372 H LEU 49 HN LEU 49 11.081 -11.243 -12.953 373 HA LEU 49 HA LEU 49 9.815 -11.663 -10.469 374 1HB LEU 49 HB2 LEU 49 9.069 -11.816 -13.306 375 2HB LEU 49 HB1 LEU 49 8.176 -12.921 -12.280 376 HG LEU 49 HG LEU 49 7.809 -10.768 -10.806 377 1HD1 LEU 49 2HD1 LEU 49 9.267 -9.321 -12.115 378 2HD1 LEU 49 1HD1 LEU 49 8.279 -9.607 -13.548 379 3HD1 LEU 49 3HD1 LEU 49 7.599 -8.750 -12.165 380 1HD2 LEU 49 3HD2 LEU 49 6.348 -11.316 -13.388 381 2HD2 LEU 49 2HD2 LEU 49 6.027 -12.057 -11.820 382 3HD2 LEU 49 1HD2 LEU 49 5.733 -10.334 -12.057 383 H ARG 50 HN ARG 50 10.372 -14.020 -13.089 384 HA ARG 50 HA ARG 50 9.873 -16.289 -11.490 385 1HB ARG 50 HB2 ARG 50 10.832 -15.748 -14.201 386 2HB ARG 50 HB1 ARG 50 11.558 -17.183 -13.490 387 1HG ARG 50 HG2 ARG 50 9.674 -17.985 -14.590 388 2HG ARG 50 HG1 ARG 50 9.167 -17.878 -12.903 389 1HD ARG 50 HD2 ARG 50 8.510 -15.401 -13.832 390 2HD ARG 50 HD1 ARG 50 8.233 -16.398 -15.259 391 HE ARG 50 HE ARG 50 6.542 -17.543 -14.119 392 1HH1 ARG 50 1HH1 ARG 50 7.994 -15.083 -12.084 393 2HH1 ARG 50 2HH1 ARG 50 6.705 -15.106 -10.932 394 1HH2 ARG 50 1HH2 ARG 50 4.852 -17.564 -12.593 395 2HH2 ARG 50 2HH2 ARG 50 4.924 -16.512 -11.218 396 H ASP 51 HN ASP 51 12.715 -14.322 -12.011 397 HA ASP 51 HA ASP 51 14.733 -16.066 -11.203 398 1HB ASP 51 HB2 ASP 51 14.413 -13.097 -11.169 399 2HB ASP 51 HB1 ASP 51 15.754 -13.795 -10.272 400 H LEU 52 HN LEU 52 13.053 -13.658 -9.174 401 HA LEU 52 HA LEU 52 14.108 -14.672 -6.736 402 1HB LEU 52 HB2 LEU 52 11.989 -12.703 -7.477 403 2HB LEU 52 HB1 LEU 52 12.055 -13.288 -5.826 404 HG LEU 52 HG LEU 52 14.587 -12.587 -6.000 405 1HD1 LEU 52 3HD1 LEU 52 14.533 -12.028 -8.370 406 2HD1 LEU 52 2HD1 LEU 52 13.283 -10.821 -8.068 407 3HD1 LEU 52 1HD1 LEU 52 14.899 -10.603 -7.396 408 1HD2 LEU 52 1HD2 LEU 52 12.957 -11.655 -4.438 409 2HD2 LEU 52 3HD2 LEU 52 13.997 -10.396 -5.100 410 3HD2 LEU 52 2HD2 LEU 52 12.350 -10.586 -5.701 411 H TYR 53 HN TYR 53 11.412 -15.579 -8.710 412 HA TYR 53 HA TYR 53 9.797 -16.790 -6.719 413 1HB TYR 53 HB2 TYR 53 9.871 -16.686 -9.654 414 2HB TYR 53 HB1 TYR 53 9.232 -18.195 -9.014 415 HD1 TYR 53 HD1 TYR 53 8.902 -14.582 -8.076 416 HD2 TYR 53 HD2 TYR 53 6.932 -18.236 -9.009 417 HE1 TYR 53 HE1 TYR 53 6.728 -13.496 -7.710 418 HE2 TYR 53 HE2 TYR 53 4.752 -17.159 -8.646 419 HH TYR 53 HH TYR 53 4.134 -14.750 -7.030 420 H SER 54 HN SER 54 12.286 -18.077 -8.911 421 HA SER 54 HA SER 54 12.083 -20.772 -8.149 422 1HB SER 54 HB2 SER 54 13.355 -19.776 -10.139 423 2HB SER 54 HB1 SER 54 14.661 -19.450 -8.999 424 HG SER 54 HG SER 54 13.747 -21.868 -10.020 425 H LYS 55 HN LYS 55 14.244 -18.197 -6.969 426 HA LYS 55 HA LYS 55 15.614 -19.744 -5.064 427 1HB LYS 55 HB2 LYS 55 15.064 -16.772 -5.138 428 2HB LYS 55 HB1 LYS 55 16.176 -17.543 -4.016 429 1HG LYS 55 HG2 LYS 55 17.437 -18.405 -6.005 430 2HG LYS 55 HG1 LYS 55 16.409 -17.382 -7.010 431 1HD LYS 55 HD2 LYS 55 17.150 -15.434 -5.598 432 2HD LYS 55 HD1 LYS 55 18.330 -16.515 -4.855 433 1HE LYS 55 HE2 LYS 55 18.169 -16.131 -7.831 434 2HE LYS 55 HE1 LYS 55 19.121 -15.061 -6.802 435 1HZ LYS 55 HZ2 LYS 55 20.324 -17.047 -6.004 436 2HZ LYS 55 HZ1 LYS 55 19.479 -17.991 -7.125 437 3HZ LYS 55 HZ3 LYS 55 20.526 -16.776 -7.661 438 H SER 56 HN SER 56 12.746 -17.658 -4.732 439 HA SER 56 HA SER 56 12.400 -17.998 -1.965 440 1HB SER 56 HB2 SER 56 10.181 -17.081 -2.280 441 2HB SER 56 HB1 SER 56 11.317 -16.219 -3.316 442 HG SER 56 HG SER 56 9.599 -16.689 -4.593 443 H THR 57 HN THR 57 11.782 -20.268 -4.501 444 HA THR 57 HA THR 57 9.604 -21.671 -3.467 445 HB THR 57 HB THR 57 11.975 -22.753 -5.008 446 HG1 THR 57 HG1 THR 57 11.086 -21.418 -6.401 447 1HG2 THR 57 3HG2 THR 57 9.245 -23.922 -4.553 448 2HG2 THR 57 2HG2 THR 57 10.347 -24.451 -5.823 449 3HG2 THR 57 1HG2 THR 57 10.806 -24.626 -4.130 450 H ALA 58 HN ALA 58 13.088 -22.298 -2.976 451 HA ALA 58 HA ALA 58 12.491 -24.183 -0.844 452 1HB ALA 58 HB1 ALA 58 14.259 -24.722 -2.434 453 2HB ALA 58 HB3 ALA 58 15.144 -23.273 -1.954 454 3HB ALA 58 HB2 ALA 58 14.901 -24.582 -0.798 455 H ALA 59 HN ALA 59 14.060 -21.019 -1.225 456 HA ALA 59 HA ALA 59 14.899 -20.699 1.437 457 1HB ALA 59 HB2 ALA 59 15.063 -18.301 0.897 458 2HB ALA 59 HB3 ALA 59 14.206 -18.601 -0.614 459 3HB ALA 59 HB1 ALA 59 15.791 -19.326 -0.340 460 H MET 60 HN MET 60 12.105 -19.113 -0.145 461 HA MET 60 HA MET 60 10.988 -18.119 2.230 462 1HB MET 60 HB2 MET 60 10.492 -17.668 -0.360 463 2HB MET 60 HB1 MET 60 9.158 -18.759 -0.017 464 1HG MET 60 HG2 MET 60 8.142 -16.801 0.473 465 2HG MET 60 HG1 MET 60 8.849 -17.135 2.051 466 1HE MET 60 HE2 MET 60 10.392 -15.953 3.207 467 2HE MET 60 HE1 MET 60 11.856 -16.011 2.225 468 3HE MET 60 HE3 MET 60 11.216 -14.458 2.766 469 H SER 61 HN SER 61 10.968 -21.335 1.013 470 HA SER 61 HA SER 61 8.488 -22.210 2.059 471 1HB SER 61 HB2 SER 61 10.786 -23.407 0.776 472 2HB SER 61 HB1 SER 61 10.230 -24.412 2.112 473 HG SER 61 HG SER 61 8.979 -23.776 -0.280 474 H THR 62 HN THR 62 11.453 -21.421 3.605 475 HA THR 62 HA THR 62 10.766 -22.955 6.003 476 HB THR 62 HB THR 62 13.007 -22.255 6.825 477 HG1 THR 62 HG1 THR 62 13.747 -20.541 5.864 478 1HG2 THR 62 3HG2 THR 62 12.769 -24.359 5.551 479 2HG2 THR 62 2HG2 THR 62 13.188 -23.475 4.083 480 3HG2 THR 62 1HG2 THR 62 14.359 -23.612 5.394 481 H TYR 63 HN TYR 63 11.586 -19.627 5.027 482 HA TYR 63 HA TYR 63 10.987 -18.433 7.498 483 1HB TYR 63 HB2 TYR 63 12.377 -17.394 5.693 484 2HB TYR 63 HB1 TYR 63 10.902 -17.133 4.769 485 HD1 TYR 63 HD1 TYR 63 9.735 -15.139 5.029 486 HD2 TYR 63 HD2 TYR 63 12.420 -16.369 8.092 487 HE1 TYR 63 HE1 TYR 63 9.384 -12.999 6.187 488 HE2 TYR 63 HE2 TYR 63 12.075 -14.233 9.259 489 HH TYR 63 HH TYR 63 11.143 -11.641 8.120 490 H THR 64 HN THR 64 8.951 -19.652 4.990 491 HA THR 64 HA THR 64 6.743 -17.918 5.468 492 HB THR 64 HB THR 64 7.088 -20.532 4.049 493 HG1 THR 64 HG1 THR 64 7.384 -18.923 2.680 494 1HG2 THR 64 3HG2 THR 64 4.440 -19.343 4.806 495 2HG2 THR 64 2HG2 THR 64 4.654 -20.378 3.393 496 3HG2 THR 64 1HG2 THR 64 4.996 -21.005 5.005 497 H GLY 65 HN GLY 65 7.336 -21.291 6.436 498 1HA GLY 65 HA1 GLY 65 6.546 -22.487 8.238 499 2HA GLY 65 HA2 GLY 65 5.165 -21.395 8.258 500 H ILE 66 HN ILE 66 8.566 -20.517 8.562 501 HA ILE 66 HA ILE 66 8.662 -20.306 11.379 502 HB ILE 66 HB ILE 66 10.342 -19.026 9.223 503 1HG1 ILE 66 2HG1 ILE 66 11.182 -21.081 11.257 504 2HG1 ILE 66 1HG1 ILE 66 10.383 -21.556 9.762 505 1HG2 ILE 66 2HG2 ILE 66 10.518 -18.740 12.206 506 2HG2 ILE 66 1HG2 ILE 66 11.940 -18.570 11.176 507 3HG2 ILE 66 3HG2 ILE 66 10.566 -17.484 10.967 508 1HD1 ILE 66 1HD1 ILE 66 12.280 -20.061 8.696 509 2HD1 ILE 66 3HD1 ILE 66 13.103 -20.467 10.202 510 3HD1 ILE 66 2HD1 ILE 66 12.552 -21.750 9.125 511 H PHE 67 HN PHE 67 8.466 -17.721 8.920 512 HA PHE 67 HA PHE 67 8.052 -15.565 10.600 513 1HB PHE 67 HB2 PHE 67 8.429 -15.321 8.188 514 2HB PHE 67 HB1 PHE 67 6.835 -15.991 7.861 515 HD1 PHE 67 HD1 PHE 67 5.034 -14.568 7.606 516 HD2 PHE 67 HD2 PHE 67 8.491 -13.188 9.670 517 HE1 PHE 67 HE1 PHE 67 4.062 -12.312 7.718 518 HE2 PHE 67 HE2 PHE 67 7.524 -10.930 9.786 519 HZ PHE 67 HZ PHE 67 5.307 -10.489 8.811 520 H THR 68 HN THR 68 5.514 -17.483 8.992 521 HA THR 68 HA THR 68 3.362 -16.248 10.319 522 HB THR 68 HB THR 68 3.405 -19.025 9.133 523 HG1 THR 68 HG1 THR 68 3.854 -17.965 7.375 524 1HG2 THR 68 2HG2 THR 68 1.191 -17.093 9.719 525 2HG2 THR 68 1HG2 THR 68 1.030 -18.371 8.514 526 3HG2 THR 68 3HG2 THR 68 1.342 -18.783 10.200 527 H ASP 69 HN ASP 69 5.585 -18.638 11.378 528 HA ASP 69 HA ASP 69 4.040 -20.081 13.210 529 1HB ASP 69 HB2 ASP 69 6.713 -20.041 12.520 530 2HB ASP 69 HB1 ASP 69 6.736 -19.489 14.190 531 H GLN 70 HN GLN 70 6.063 -17.205 13.853 532 HA GLN 70 HA GLN 70 5.080 -16.865 16.501 533 1HB GLN 70 HB2 GLN 70 6.255 -14.705 16.453 534 2HB GLN 70 HB1 GLN 70 7.271 -16.015 15.869 535 1HG GLN 70 HG2 GLN 70 7.645 -14.913 13.993 536 2HG GLN 70 HG1 GLN 70 5.919 -14.884 13.642 537 1HE2 GLN 70 1HE2 GLN 70 4.728 -13.048 14.097 538 2HE2 GLN 70 2HE2 GLN 70 5.462 -11.541 14.511 539 H VAL 71 HN VAL 71 3.944 -15.844 13.393 540 HA VAL 71 HA VAL 71 2.324 -13.665 14.233 541 HB VAL 71 HB VAL 71 2.059 -15.453 11.801 542 1HG1 VAL 71 1HG1 VAL 71 0.644 -12.909 12.558 543 2HG1 VAL 71 3HG1 VAL 71 0.751 -13.482 10.894 544 3HG1 VAL 71 2HG1 VAL 71 -0.061 -14.463 12.113 545 1HG2 VAL 71 2HG2 VAL 71 4.156 -13.972 12.170 546 2HG2 VAL 71 1HG2 VAL 71 3.336 -13.928 10.611 547 3HG2 VAL 71 3HG2 VAL 71 3.072 -12.637 11.782 548 H LEU 72 HN LEU 72 1.595 -17.033 13.397 549 HA LEU 72 HA LEU 72 -1.089 -17.066 14.186 550 1HB LEU 72 HB2 LEU 72 0.873 -18.973 13.335 551 2HB LEU 72 HB1 LEU 72 0.064 -19.605 14.756 552 HG LEU 72 HG LEU 72 -1.003 -20.370 12.689 553 1HD1 LEU 72 2HD1 LEU 72 -2.362 -20.114 14.697 554 2HD1 LEU 72 1HD1 LEU 72 -2.711 -18.443 14.255 555 3HD1 LEU 72 3HD1 LEU 72 -3.299 -19.763 13.245 556 1HD2 LEU 72 1HD2 LEU 72 -0.413 -18.318 11.371 557 2HD2 LEU 72 3HD2 LEU 72 -2.067 -18.893 11.158 558 3HD2 LEU 72 2HD2 LEU 72 -1.744 -17.495 12.184 559 H SER 73 HN SER 73 1.918 -17.404 15.963 560 HA SER 73 HA SER 73 0.906 -18.374 18.387 561 1HB SER 73 HB2 SER 73 3.374 -17.986 17.629 562 2HB SER 73 HB1 SER 73 3.154 -16.381 18.325 563 HG SER 73 HG SER 73 3.982 -17.803 19.875 564 H VAL 74 HN VAL 74 1.049 -15.114 17.088 565 HA VAL 74 HA VAL 74 0.175 -13.821 19.484 566 HB VAL 74 HB VAL 74 -0.072 -12.782 16.654 567 1HG1 VAL 74 1HG1 VAL 74 -0.218 -11.512 19.364 568 2HG1 VAL 74 3HG1 VAL 74 0.239 -10.573 17.943 569 3HG1 VAL 74 2HG1 VAL 74 -1.334 -11.368 18.006 570 1HG2 VAL 74 3HG2 VAL 74 2.279 -13.208 18.333 571 2HG2 VAL 74 2HG2 VAL 74 2.163 -12.878 16.604 572 3HG2 VAL 74 1HG2 VAL 74 2.117 -11.548 17.760 573 H LEU 75 HN LEU 75 -1.419 -15.658 17.063 574 HA LEU 75 HA LEU 75 -3.981 -14.464 17.121 575 1HB LEU 75 HB2 LEU 75 -2.898 -16.359 15.591 576 2HB LEU 75 HB1 LEU 75 -3.722 -17.401 16.734 577 HG LEU 75 HG LEU 75 -5.354 -15.228 15.571 578 1HD1 LEU 75 1HD1 LEU 75 -3.912 -16.070 13.680 579 2HD1 LEU 75 3HD1 LEU 75 -4.691 -17.637 13.899 580 3HD1 LEU 75 2HD1 LEU 75 -5.653 -16.228 13.452 581 1HD2 LEU 75 2HD2 LEU 75 -6.172 -16.995 17.146 582 2HD2 LEU 75 1HD2 LEU 75 -7.065 -16.888 15.630 583 3HD2 LEU 75 3HD2 LEU 75 -5.887 -18.178 15.869 584 H LYS 76 HN LYS 76 -2.418 -16.921 19.046 585 HA LYS 76 HA LYS 76 -4.716 -17.643 20.573 586 1HB LYS 76 HB2 LYS 76 -2.453 -18.912 20.212 587 2HB LYS 76 HB1 LYS 76 -1.922 -17.978 21.604 588 1HG LYS 76 HG2 LYS 76 -4.012 -18.885 22.772 589 2HG LYS 76 HG1 LYS 76 -4.082 -20.049 21.447 590 1HD LYS 76 HD2 LYS 76 -2.643 -21.311 22.585 591 2HD LYS 76 HD1 LYS 76 -1.422 -20.069 22.305 592 1HE LYS 76 HE2 LYS 76 -2.262 -18.917 24.370 593 2HE LYS 76 HE1 LYS 76 -3.264 -20.333 24.674 594 1HZ LYS 76 HZ3 LYS 76 -1.242 -21.683 24.732 595 2HZ LYS 76 HZ2 LYS 76 -0.300 -20.297 24.498 596 3HZ LYS 76 HZ1 LYS 76 -1.214 -20.469 25.911 597 H GLY 77 HN GLY 77 -2.030 -15.375 21.083 598 1HA GLY 77 HA1 GLY 77 -1.620 -14.144 23.083 599 2HA GLY 77 HA2 GLY 77 -3.250 -14.516 23.615 600 H GLU 78 HN GLU 78 -4.769 -13.726 21.446 601 HA GLU 78 HA GLU 78 -4.877 -10.925 21.833 602 1HB GLU 78 HB2 GLU 78 -2.939 -11.068 20.248 603 2HB GLU 78 HB1 GLU 78 -4.026 -11.763 19.055 604 1HG GLU 78 HG2 GLU 78 -3.618 -9.355 18.729 605 2HG GLU 78 HG1 GLU 78 -5.319 -9.749 18.969 606 H GLU 79 HN GLU 79 -5.612 -13.094 19.078 607 HA GLU 79 HA GLU 79 -8.422 -13.091 19.698 608 1HB GLU 79 HB2 GLU 79 -7.944 -10.873 18.507 609 2HB GLU 79 HB1 GLU 79 -7.635 -11.837 17.070 610 1HG GLU 79 HG2 GLU 79 -10.212 -11.962 18.613 611 2HG GLU 79 HG1 GLU 79 -9.937 -10.856 17.268 No H/Q in entry = 611 Start of MODEL 37 1 H1 THR 1 HT1 THR 1 7.603 -8.301 39.450 2 H2 THR 1 HT3 THR 1 6.768 -7.066 40.295 3 H3 THR 1 HT2 THR 1 6.087 -7.746 38.874 4 HA THR 1 HA THR 1 7.674 -6.798 37.512 5 HB THR 1 HB THR 1 7.506 -4.331 38.284 6 HG1 THR 1 HG1 THR 1 6.978 -4.152 40.298 7 1HG2 THR 1 1HG2 THR 1 5.912 -5.366 36.715 8 2HG2 THR 1 3HG2 THR 1 4.931 -5.872 38.092 9 3HG2 THR 1 2HG2 THR 1 5.174 -4.156 37.765 10 H GLN 2 HN GLN 2 8.476 -5.902 40.883 11 HA GLN 2 HA GLN 2 10.446 -5.501 41.934 12 1HB GLN 2 HB2 GLN 2 10.868 -7.835 40.923 13 2HB GLN 2 HB1 GLN 2 11.858 -6.999 39.736 14 1HG GLN 2 HG2 GLN 2 12.318 -6.615 42.667 15 2HG GLN 2 HG1 GLN 2 12.986 -8.005 41.813 16 1HE2 GLN 2 1HE2 GLN 2 13.414 -4.760 42.623 17 2HE2 GLN 2 2HE2 GLN 2 14.764 -4.423 41.599 18 H GLN 3 HN GLN 3 10.346 -3.265 41.514 19 HA GLN 3 HA GLN 3 11.090 -1.254 40.784 20 1HB GLN 3 HB2 GLN 3 13.435 -3.043 40.275 21 2HB GLN 3 HB1 GLN 3 13.481 -1.388 39.687 22 1HG GLN 3 HG2 GLN 3 12.953 -0.656 42.032 23 2HG GLN 3 HG1 GLN 3 13.219 -2.327 42.527 24 1HE2 GLN 3 1HE2 GLN 3 14.678 0.636 41.562 25 2HE2 GLN 3 2HE2 GLN 3 16.321 0.149 41.774 26 HA PRO 4 HA PRO 4 9.713 -2.508 36.424 27 1HB PRO 4 HB2 PRO 4 7.426 -0.979 36.523 28 2HB PRO 4 HB1 PRO 4 7.492 -2.698 36.918 29 1HG PRO 4 HG2 PRO 4 7.517 -0.331 38.742 30 2HG PRO 4 HG1 PRO 4 6.665 -1.876 38.921 31 1HD PRO 4 HD2 PRO 4 8.932 -1.347 40.263 32 2HD PRO 4 HD1 PRO 4 8.563 -2.978 39.663 33 H GLN 5 HN GLN 5 9.680 0.555 38.202 34 HA GLN 5 HA GLN 5 9.840 2.192 35.866 35 1HB GLN 5 HB2 GLN 5 10.019 4.043 37.322 36 2HB GLN 5 HB1 GLN 5 8.953 2.909 38.132 37 1HG GLN 5 HG2 GLN 5 11.889 3.128 38.745 38 2HG GLN 5 HG1 GLN 5 10.651 4.064 39.578 39 1HE2 GLN 5 1HE2 GLN 5 8.791 2.653 40.426 40 2HE2 GLN 5 2HE2 GLN 5 9.264 1.203 41.238 41 H GLN 6 HN GLN 6 12.225 1.002 38.214 42 HA GLN 6 HA GLN 6 14.446 2.360 37.088 43 1HB GLN 6 HB2 GLN 6 14.496 1.540 39.379 44 2HB GLN 6 HB1 GLN 6 14.323 -0.117 38.818 45 1HG GLN 6 HG2 GLN 6 16.618 1.347 37.712 46 2HG GLN 6 HG1 GLN 6 16.673 1.048 39.447 47 1HE2 GLN 6 1HE2 GLN 6 17.320 -0.213 36.421 48 2HE2 GLN 6 2HE2 GLN 6 17.538 -1.868 36.866 49 H ASP 7 HN ASP 7 13.591 -1.107 36.974 50 HA ASP 7 HA ASP 7 15.463 -1.692 34.910 51 1HB ASP 7 HB2 ASP 7 13.105 -3.292 35.928 52 2HB ASP 7 HB1 ASP 7 14.349 -3.909 34.846 53 H GLU 8 HN GLU 8 14.810 -2.721 32.821 54 HA GLU 8 HA GLU 8 13.198 -0.917 31.321 55 1HB GLU 8 HB2 GLU 8 15.079 -1.890 30.228 56 2HB GLU 8 HB1 GLU 8 14.561 -3.519 30.631 57 1HG GLU 8 HG2 GLU 8 14.105 -3.266 28.352 58 2HG GLU 8 HG1 GLU 8 12.546 -3.095 29.155 59 H MET 9 HN MET 9 11.090 -0.964 32.078 60 HA MET 9 HA MET 9 9.610 -3.361 32.458 61 1HB MET 9 HB2 MET 9 9.217 -0.671 33.049 62 2HB MET 9 HB1 MET 9 7.964 -1.031 31.870 63 1HG MET 9 HG2 MET 9 7.517 -3.102 33.373 64 2HG MET 9 HG1 MET 9 8.381 -2.167 34.593 65 1HE MET 9 HE3 MET 9 5.841 -2.921 35.606 66 2HE MET 9 HE2 MET 9 4.387 -2.000 35.222 67 3HE MET 9 HE1 MET 9 5.007 -3.188 34.075 68 HA PRO 10 HA PRO 10 7.623 -2.494 28.185 69 1HB PRO 10 HB2 PRO 10 8.416 -0.395 26.702 70 2HB PRO 10 HB1 PRO 10 7.221 -0.224 27.993 71 1HG PRO 10 HG2 PRO 10 10.144 0.417 28.019 72 2HG PRO 10 HG1 PRO 10 8.788 1.347 28.681 73 1HD PRO 10 HD2 PRO 10 10.407 -0.258 30.191 74 2HD PRO 10 HD1 PRO 10 8.723 0.113 30.608 75 H SER 11 HN SER 11 8.531 -2.128 25.686 76 HA SER 11 HA SER 11 10.570 -4.112 25.431 77 1HB SER 11 HB2 SER 11 8.851 -2.548 23.572 78 2HB SER 11 HB1 SER 11 10.341 -3.221 22.913 79 HG SER 11 HG SER 11 8.087 -4.530 23.932 80 HA PRO 12 HA PRO 12 14.245 -1.693 25.065 81 1HB PRO 12 HB2 PRO 12 15.584 -2.894 23.031 82 2HB PRO 12 HB1 PRO 12 15.379 -3.645 24.617 83 1HG PRO 12 HG2 PRO 12 13.836 -4.101 22.090 84 2HG PRO 12 HG1 PRO 12 14.457 -5.289 23.251 85 1HD PRO 12 HD2 PRO 12 11.873 -4.493 23.231 86 2HD PRO 12 HD1 PRO 12 12.718 -4.949 24.724 87 H THR 13 HN THR 13 15.801 -0.977 22.916 88 HA THR 13 HA THR 13 14.296 1.171 21.795 89 HB THR 13 HB THR 13 16.485 1.477 20.429 90 HG1 THR 13 HG1 THR 13 18.047 0.129 20.800 91 1HG2 THR 13 2HG2 THR 13 15.942 2.823 22.406 92 2HG2 THR 13 1HG2 THR 13 16.665 1.580 23.428 93 3HG2 THR 13 3HG2 THR 13 17.665 2.467 22.279 94 H PHE 14 HN PHE 14 16.335 -1.060 19.905 95 HA PHE 14 HA PHE 14 15.989 -2.202 17.977 96 1HB PHE 14 HB2 PHE 14 13.849 -2.899 19.253 97 2HB PHE 14 HB1 PHE 14 13.022 -1.763 18.196 98 HD1 PHE 14 HD1 PHE 14 12.793 -2.203 15.828 99 HD2 PHE 14 HD2 PHE 14 14.789 -4.953 18.391 100 HE1 PHE 14 HE1 PHE 14 12.654 -3.930 14.080 101 HE2 PHE 14 HE2 PHE 14 14.654 -6.683 16.648 102 HZ PHE 14 HZ PHE 14 13.586 -6.172 14.489 103 H LEU 15 HN LEU 15 13.359 0.230 17.924 104 HA LEU 15 HA LEU 15 13.691 0.883 15.213 105 1HB LEU 15 HB2 LEU 15 11.766 1.385 16.965 106 2HB LEU 15 HB1 LEU 15 12.613 2.912 17.109 107 HG LEU 15 HG LEU 15 12.422 3.005 14.524 108 1HD1 LEU 15 1HD1 LEU 15 10.249 1.020 15.178 109 2HD1 LEU 15 3HD1 LEU 15 10.449 1.855 13.638 110 3HD1 LEU 15 2HD1 LEU 15 11.678 0.717 14.190 111 1HD2 LEU 15 1HD2 LEU 15 10.002 3.330 16.295 112 2HD2 LEU 15 3HD2 LEU 15 11.272 4.527 16.033 113 3HD2 LEU 15 2HD2 LEU 15 10.215 4.055 14.701 114 H THR 16 HN THR 16 15.272 2.097 18.098 115 HA THR 16 HA THR 16 16.274 4.520 17.135 116 HB THR 16 HB THR 16 17.672 2.621 19.031 117 HG1 THR 16 HG1 THR 16 15.690 4.589 19.525 118 1HG2 THR 16 3HG2 THR 16 17.865 5.604 18.708 119 2HG2 THR 16 2HG2 THR 16 18.523 4.697 20.070 120 3HG2 THR 16 1HG2 THR 16 19.139 4.415 18.442 121 H GLN 17 HN GLN 17 17.603 1.235 16.894 122 HA GLN 17 HA GLN 17 20.022 1.913 15.623 123 1HB GLN 17 HB2 GLN 17 18.389 -0.631 15.505 124 2HB GLN 17 HB1 GLN 17 20.012 -0.473 14.849 125 1HG GLN 17 HG2 GLN 17 20.594 -1.302 16.854 126 2HG GLN 17 HG1 GLN 17 20.461 0.386 17.346 127 1HE2 GLN 17 1HE2 GLN 17 19.141 -2.784 17.612 128 2HE2 GLN 17 2HE2 GLN 17 17.940 -2.419 18.798 129 H VAL 18 HN VAL 18 16.938 0.774 14.271 130 HA VAL 18 HA VAL 18 17.210 0.564 11.655 131 HB VAL 18 HB VAL 18 15.067 2.282 12.910 132 1HG1 VAL 18 1HG1 VAL 18 15.312 1.036 10.190 133 2HG1 VAL 18 3HG1 VAL 18 13.744 1.425 10.898 134 3HG1 VAL 18 2HG1 VAL 18 14.924 2.704 10.611 135 1HG2 VAL 18 1HG2 VAL 18 15.292 -0.682 12.439 136 2HG2 VAL 18 3HG2 VAL 18 15.021 0.164 13.962 137 3HG2 VAL 18 2HG2 VAL 18 13.753 0.125 12.737 138 H LYS 19 HN LYS 19 17.143 3.775 13.211 139 HA LYS 19 HA LYS 19 17.170 5.388 10.982 140 1HB LYS 19 HB2 LYS 19 18.362 5.725 13.716 141 2HB LYS 19 HB1 LYS 19 18.576 6.968 12.492 142 1HG LYS 19 HG2 LYS 19 16.678 7.805 13.323 143 2HG LYS 19 HG1 LYS 19 15.897 6.555 12.354 144 1HD LYS 19 HD2 LYS 19 16.352 5.094 14.509 145 2HD LYS 19 HD1 LYS 19 16.363 6.675 15.293 146 1HE LYS 19 HE2 LYS 19 14.138 5.969 15.445 147 2HE LYS 19 HE1 LYS 19 14.148 7.087 14.083 148 1HZ LYS 19 HZ1 LYS 19 14.298 4.130 13.839 149 2HZ LYS 19 HZ3 LYS 19 12.887 5.042 13.641 150 3HZ LYS 19 HZ2 LYS 19 14.178 5.238 12.567 151 H GLU 20 HN GLU 20 20.068 4.202 12.712 152 HA GLU 20 HA GLU 20 21.910 5.244 10.845 153 1HB GLU 20 HB2 GLU 20 22.166 4.143 13.295 154 2HB GLU 20 HB1 GLU 20 22.665 2.780 12.304 155 1HG GLU 20 HG2 GLU 20 23.866 5.539 12.202 156 2HG GLU 20 HG1 GLU 20 24.555 4.153 13.044 157 H SER 21 HN SER 21 20.042 2.318 10.942 158 HA SER 21 HA SER 21 21.479 0.789 9.055 159 1HB SER 21 HB2 SER 21 19.483 0.133 10.637 160 2HB SER 21 HB1 SER 21 18.492 0.597 9.254 161 HG SER 21 HG SER 21 19.224 -1.075 8.144 162 H LEU 22 HN LEU 22 18.902 3.183 8.717 163 HA LEU 22 HA LEU 22 18.564 2.853 5.908 164 1HB LEU 22 HB2 LEU 22 17.853 5.176 7.704 165 2HB LEU 22 HB1 LEU 22 17.320 4.989 6.044 166 HG LEU 22 HG LEU 22 16.682 2.747 7.866 167 1HD1 LEU 22 2HD1 LEU 22 15.321 5.427 8.084 168 2HD1 LEU 22 1HD1 LEU 22 14.723 3.921 8.779 169 3HD1 LEU 22 3HD1 LEU 22 16.245 4.610 9.344 170 1HD2 LEU 22 2HD2 LEU 22 15.994 2.780 5.515 171 2HD2 LEU 22 1HD2 LEU 22 14.605 2.768 6.602 172 3HD2 LEU 22 3HD2 LEU 22 15.088 4.265 5.804 173 H SER 23 HN SER 23 20.561 4.952 7.928 174 HA SER 23 HA SER 23 21.424 6.749 5.967 175 1HB SER 23 HB2 SER 23 22.987 5.751 8.363 176 2HB SER 23 HB1 SER 23 23.311 7.228 7.455 177 HG SER 23 HG SER 23 21.328 6.679 9.318 178 H SER 24 HN SER 24 23.067 3.814 7.153 179 HA SER 24 HA SER 24 25.122 3.853 5.217 180 1HB SER 24 HB2 SER 24 24.019 1.507 6.781 181 2HB SER 24 HB1 SER 24 25.554 1.529 5.912 182 HG SER 24 HG SER 24 24.859 2.693 8.330 183 H TYR 25 HN TYR 25 21.813 2.992 4.981 184 HA TYR 25 HA TYR 25 22.131 1.164 2.768 185 1HB TYR 25 HB2 TYR 25 20.237 0.807 4.207 186 2HB TYR 25 HB1 TYR 25 19.703 2.472 4.009 187 HD1 TYR 25 HD1 TYR 25 18.431 3.146 2.089 188 HD2 TYR 25 HD2 TYR 25 19.965 -0.814 2.365 189 HE1 TYR 25 HE1 TYR 25 17.004 2.468 0.206 190 HE2 TYR 25 HE2 TYR 25 18.542 -1.502 0.482 191 HH TYR 25 HH TYR 25 17.370 0.172 -1.649 192 H TRP 26 HN TRP 26 21.047 4.520 3.220 193 HA TRP 26 HA TRP 26 20.448 5.046 0.519 194 1HB TRP 26 HB2 TRP 26 19.861 6.410 2.647 195 2HB TRP 26 HB1 TRP 26 21.431 7.171 2.404 196 HD1 TRP 26 HD1 TRP 26 21.239 9.366 1.121 197 HE1 TRP 26 HE1 TRP 26 19.689 10.324 -0.695 198 HE3 TRP 26 HE3 TRP 26 18.171 5.329 0.457 199 HZ2 TRP 26 HZ2 TRP 26 17.459 9.481 -2.209 200 HZ3 TRP 26 HZ3 TRP 26 16.354 5.488 -1.194 201 HH2 TRP 26 HH2 TRP 26 16.007 7.522 -2.499 202 H GLU 27 HN GLU 27 23.433 5.206 2.344 203 HA GLU 27 HA GLU 27 25.129 6.725 0.885 204 1HB GLU 27 HB2 GLU 27 25.421 4.312 2.526 205 2HB GLU 27 HB1 GLU 27 26.703 4.513 1.340 206 1HG GLU 27 HG2 GLU 27 27.648 6.166 2.486 207 2HG GLU 27 HG1 GLU 27 26.107 6.976 2.756 208 H SER 28 HN SER 28 24.528 3.280 0.225 209 HA SER 28 HA SER 28 25.656 3.584 -2.451 210 1HB SER 28 HB2 SER 28 24.836 1.164 -0.839 211 2HB SER 28 HB1 SER 28 25.349 1.067 -2.523 212 HG SER 28 HG SER 28 27.026 0.748 -0.879 213 H ALA 29 HN ALA 29 22.610 3.748 -0.974 214 HA ALA 29 HA ALA 29 20.956 2.441 -2.834 215 1HB ALA 29 HB2 ALA 29 20.198 3.262 -0.634 216 2HB ALA 29 HB1 ALA 29 20.280 4.912 -1.249 217 3HB ALA 29 HB3 ALA 29 19.144 3.764 -1.954 218 H LYS 30 HN LYS 30 22.558 5.549 -3.001 219 HA LYS 30 HA LYS 30 21.045 6.854 -4.912 220 1HB LYS 30 HB2 LYS 30 23.284 7.906 -5.618 221 2HB LYS 30 HB1 LYS 30 22.749 8.136 -3.960 222 1HG LYS 30 HG2 LYS 30 24.701 7.362 -3.270 223 2HG LYS 30 HG1 LYS 30 24.294 5.789 -3.958 224 1HD LYS 30 HD2 LYS 30 25.423 6.242 -5.957 225 2HD LYS 30 HD1 LYS 30 25.447 7.981 -5.653 226 1HE LYS 30 HE2 LYS 30 27.639 7.309 -5.220 227 2HE LYS 30 HE1 LYS 30 26.904 7.407 -3.621 228 1HZ LYS 30 HZ3 LYS 30 26.457 4.933 -3.917 229 2HZ LYS 30 HZ2 LYS 30 27.565 4.993 -5.192 230 3HZ LYS 30 HZ1 LYS 30 28.057 5.398 -3.627 231 H THR 31 HN THR 31 23.753 4.615 -5.520 232 HA THR 31 HA THR 31 23.846 4.693 -8.267 233 HB THR 31 HB THR 31 24.724 2.403 -8.200 234 HG1 THR 31 HG1 THR 31 23.703 1.216 -6.779 235 1HG2 THR 31 1HG2 THR 31 26.096 4.372 -7.315 236 2HG2 THR 31 3HG2 THR 31 25.768 3.700 -5.718 237 3HG2 THR 31 2HG2 THR 31 26.627 2.738 -6.920 238 H ALA 32 HN ALA 32 21.554 3.048 -6.179 239 HA ALA 32 HA ALA 32 20.270 1.488 -8.146 240 1HB ALA 32 HB1 ALA 32 18.770 2.620 -5.819 241 2HB ALA 32 HB3 ALA 32 18.660 1.020 -6.552 242 3HB ALA 32 HB2 ALA 32 20.053 1.441 -5.557 243 H ALA 33 HN ALA 33 19.767 4.832 -7.066 244 HA ALA 33 HA ALA 33 17.377 5.438 -8.290 245 1HB ALA 33 HB2 ALA 33 18.743 6.955 -6.828 246 2HB ALA 33 HB1 ALA 33 19.726 7.317 -8.247 247 3HB ALA 33 HB3 ALA 33 18.011 7.730 -8.234 248 H GLN 34 HN GLN 34 20.557 6.064 -9.795 249 HA GLN 34 HA GLN 34 19.447 6.558 -12.347 250 1HB GLN 34 HB2 GLN 34 21.753 6.380 -13.193 251 2HB GLN 34 HB1 GLN 34 21.660 7.397 -11.764 252 1HG GLN 34 HG2 GLN 34 22.219 4.623 -11.116 253 2HG GLN 34 HG1 GLN 34 23.421 5.324 -12.194 254 1HE2 GLN 34 1HE2 GLN 34 25.097 5.563 -10.818 255 2HE2 GLN 34 2HE2 GLN 34 25.062 6.547 -9.399 256 H ASN 35 HN ASN 35 20.531 3.651 -10.721 257 HA ASN 35 HA ASN 35 20.627 1.947 -12.966 258 1HB ASN 35 HB2 ASN 35 21.446 1.499 -10.557 259 2HB ASN 35 HB1 ASN 35 19.786 1.017 -10.229 260 1HD2 ASN 35 1HD2 ASN 35 19.004 -0.890 -11.074 261 2HD2 ASN 35 2HD2 ASN 35 20.020 -2.064 -11.830 262 H LEU 36 HN LEU 36 17.992 3.126 -11.044 263 HA LEU 36 HA LEU 36 15.969 1.325 -11.734 264 1HB LEU 36 HB2 LEU 36 15.991 3.416 -10.108 265 2HB LEU 36 HB1 LEU 36 15.378 4.252 -11.521 266 HG LEU 36 HG LEU 36 13.604 2.341 -11.574 267 1HD1 LEU 36 3HD1 LEU 36 14.563 2.222 -8.719 268 2HD1 LEU 36 2HD1 LEU 36 13.044 1.540 -9.299 269 3HD1 LEU 36 1HD1 LEU 36 14.580 0.913 -9.901 270 1HD2 LEU 36 1HD2 LEU 36 13.591 4.542 -9.511 271 2HD2 LEU 36 3HD2 LEU 36 13.052 4.662 -11.188 272 3HD2 LEU 36 2HD2 LEU 36 12.169 3.646 -10.046 273 H TYR 37 HN TYR 37 17.137 4.285 -13.231 274 HA TYR 37 HA TYR 37 15.418 4.248 -15.490 275 1HB TYR 37 HB2 TYR 37 17.933 5.657 -14.738 276 2HB TYR 37 HB1 TYR 37 17.546 5.576 -16.452 277 HD1 TYR 37 HD1 TYR 37 16.512 6.909 -13.196 278 HD2 TYR 37 HD2 TYR 37 15.647 6.774 -17.360 279 HE1 TYR 37 HE1 TYR 37 14.977 8.811 -12.933 280 HE2 TYR 37 HE2 TYR 37 14.110 8.675 -17.109 281 HH TYR 37 HH TYR 37 14.064 10.743 -15.017 282 H GLU 38 HN GLU 38 18.581 2.868 -14.769 283 HA GLU 38 HA GLU 38 19.281 1.961 -17.321 284 1HB GLU 38 HB2 GLU 38 20.911 1.967 -15.548 285 2HB GLU 38 HB1 GLU 38 19.959 0.832 -14.606 286 1HG GLU 38 HG2 GLU 38 20.863 -0.005 -17.306 287 2HG GLU 38 HG1 GLU 38 22.053 0.070 -16.009 288 H LYS 39 HN LYS 39 17.770 0.082 -14.712 289 HA LYS 39 HA LYS 39 17.312 -2.238 -16.196 290 1HB LYS 39 HB2 LYS 39 15.895 -1.141 -13.770 291 2HB LYS 39 HB1 LYS 39 15.594 -2.745 -14.426 292 1HG LYS 39 HG2 LYS 39 18.079 -3.168 -14.142 293 2HG LYS 39 HG1 LYS 39 18.113 -1.687 -13.184 294 1HD LYS 39 HD2 LYS 39 17.728 -3.146 -11.491 295 2HD LYS 39 HD1 LYS 39 16.053 -2.915 -11.998 296 1HE LYS 39 HE2 LYS 39 16.009 -4.949 -13.167 297 2HE LYS 39 HE1 LYS 39 17.768 -5.083 -13.171 298 1HZ LYS 39 HZ2 LYS 39 16.063 -5.269 -10.745 299 2HZ LYS 39 HZ1 LYS 39 16.699 -6.593 -11.581 300 3HZ LYS 39 HZ3 LYS 39 17.737 -5.498 -10.815 301 H THR 40 HN THR 40 15.765 0.785 -16.516 302 HA THR 40 HA THR 40 13.163 -0.124 -17.238 303 HB THR 40 HB THR 40 14.588 2.426 -18.031 304 HG1 THR 40 HG1 THR 40 14.392 2.442 -15.852 305 1HG2 THR 40 1HG2 THR 40 11.673 1.706 -18.124 306 2HG2 THR 40 3HG2 THR 40 12.292 3.354 -18.228 307 3HG2 THR 40 2HG2 THR 40 12.712 2.174 -19.471 308 H TYR 41 HN TYR 41 16.026 0.767 -19.094 309 HA TYR 41 HA TYR 41 14.953 0.202 -21.653 310 1HB TYR 41 HB2 TYR 41 17.890 -0.031 -21.079 311 2HB TYR 41 HB1 TYR 41 17.086 0.609 -22.507 312 HD1 TYR 41 HD1 TYR 41 19.008 1.519 -19.804 313 HD2 TYR 41 HD2 TYR 41 15.481 2.735 -21.850 314 HE1 TYR 41 HE1 TYR 41 19.287 3.796 -18.921 315 HE2 TYR 41 HE2 TYR 41 15.751 5.016 -20.973 316 HH TYR 41 HH TYR 41 18.242 6.330 -19.994 317 H LEU 42 HN LEU 42 16.827 -1.746 -19.358 318 HA LEU 42 HA LEU 42 17.103 -3.994 -21.095 319 1HB LEU 42 HB2 LEU 42 17.683 -3.406 -18.240 320 2HB LEU 42 HB1 LEU 42 17.541 -5.091 -18.703 321 HG LEU 42 HG LEU 42 19.273 -4.598 -20.506 322 1HD1 LEU 42 2HD1 LEU 42 19.289 -2.027 -18.989 323 2HD1 LEU 42 1HD1 LEU 42 20.788 -2.641 -19.690 324 3HD1 LEU 42 3HD1 LEU 42 19.400 -2.310 -20.727 325 1HD2 LEU 42 2HD2 LEU 42 19.908 -4.495 -17.569 326 2HD2 LEU 42 1HD2 LEU 42 19.923 -5.894 -18.641 327 3HD2 LEU 42 3HD2 LEU 42 21.151 -4.639 -18.812 328 HA PRO 43 HA PRO 43 13.216 -5.971 -20.206 329 1HB PRO 43 HB2 PRO 43 13.602 -8.236 -21.548 330 2HB PRO 43 HB1 PRO 43 13.562 -6.683 -22.389 331 1HG PRO 43 HG2 PRO 43 15.891 -8.399 -21.689 332 2HG PRO 43 HG1 PRO 43 15.638 -7.369 -23.108 333 1HD PRO 43 HD2 PRO 43 17.119 -6.724 -20.788 334 2HD PRO 43 HD1 PRO 43 16.652 -5.616 -22.092 335 H ALA 44 HN ALA 44 15.458 -6.327 -18.159 336 HA ALA 44 HA ALA 44 15.536 -9.021 -17.314 337 1HB ALA 44 HB1 ALA 44 16.115 -6.429 -15.910 338 2HB ALA 44 HB3 ALA 44 16.286 -7.994 -15.116 339 3HB ALA 44 HB2 ALA 44 17.255 -7.617 -16.540 340 H VAL 45 HN VAL 45 13.063 -6.681 -17.067 341 HA VAL 45 HA VAL 45 11.798 -7.074 -14.694 342 HB VAL 45 HB VAL 45 10.423 -6.842 -17.376 343 1HG1 VAL 45 1HG1 VAL 45 9.447 -6.444 -14.559 344 2HG1 VAL 45 3HG1 VAL 45 8.633 -5.736 -15.955 345 3HG1 VAL 45 2HG1 VAL 45 8.780 -7.488 -15.814 346 1HG2 VAL 45 3HG2 VAL 45 11.594 -4.810 -15.503 347 2HG2 VAL 45 2HG2 VAL 45 11.830 -4.982 -17.243 348 3HG2 VAL 45 1HG2 VAL 45 10.292 -4.390 -16.616 349 H ASP 46 HN ASP 46 11.180 -9.019 -17.628 350 HA ASP 46 HA ASP 46 9.425 -10.836 -16.376 351 1HB ASP 46 HB2 ASP 46 11.108 -11.181 -18.865 352 2HB ASP 46 HB1 ASP 46 9.799 -12.253 -18.377 353 H GLU 47 HN GLU 47 12.926 -10.781 -16.677 354 HA GLU 47 HA GLU 47 13.372 -13.496 -15.956 355 1HB GLU 47 HB2 GLU 47 15.215 -12.521 -16.974 356 2HB GLU 47 HB1 GLU 47 15.055 -11.023 -16.072 357 1HG GLU 47 HG2 GLU 47 15.765 -13.495 -14.582 358 2HG GLU 47 HG1 GLU 47 16.994 -12.737 -15.592 359 H LYS 48 HN LYS 48 13.247 -10.485 -14.079 360 HA LYS 48 HA LYS 48 13.975 -11.542 -11.587 361 1HB LYS 48 HB2 LYS 48 12.255 -9.178 -12.329 362 2HB LYS 48 HB1 LYS 48 12.688 -9.556 -10.668 363 1HG LYS 48 HG2 LYS 48 14.689 -8.623 -10.887 364 2HG LYS 48 HG1 LYS 48 15.019 -9.514 -12.374 365 1HD LYS 48 HD2 LYS 48 15.058 -7.330 -13.121 366 2HD LYS 48 HD1 LYS 48 13.385 -7.786 -13.445 367 1HE LYS 48 HE2 LYS 48 13.876 -6.676 -10.768 368 2HE LYS 48 HE1 LYS 48 14.146 -5.553 -12.100 369 1HZ LYS 48 HZ3 LYS 48 11.911 -6.032 -12.899 370 2HZ LYS 48 HZ2 LYS 48 11.654 -7.094 -11.611 371 3HZ LYS 48 HZ1 LYS 48 11.871 -5.446 -11.314 372 H LEU 49 HN LEU 49 10.964 -11.718 -13.338 373 HA LEU 49 HA LEU 49 9.227 -12.270 -11.186 374 1HB LEU 49 HB2 LEU 49 8.640 -11.710 -13.622 375 2HB LEU 49 HB1 LEU 49 8.921 -13.407 -13.960 376 HG LEU 49 HG LEU 49 7.002 -12.666 -11.791 377 1HD1 LEU 49 2HD1 LEU 49 6.358 -12.650 -14.736 378 2HD1 LEU 49 1HD1 LEU 49 5.184 -12.560 -13.422 379 3HD1 LEU 49 3HD1 LEU 49 6.345 -11.253 -13.660 380 1HD2 LEU 49 1HD2 LEU 49 7.348 -14.950 -13.714 381 2HD2 LEU 49 3HD2 LEU 49 7.423 -14.977 -11.953 382 3HD2 LEU 49 2HD2 LEU 49 5.879 -14.728 -12.766 383 H ARG 50 HN ARG 50 10.530 -14.574 -13.589 384 HA ARG 50 HA ARG 50 9.949 -16.868 -12.050 385 1HB ARG 50 HB2 ARG 50 11.682 -16.310 -14.429 386 2HB ARG 50 HB1 ARG 50 11.835 -17.854 -13.605 387 1HG ARG 50 HG2 ARG 50 9.245 -16.766 -14.686 388 2HG ARG 50 HG1 ARG 50 10.300 -17.885 -15.554 389 1HD ARG 50 HD2 ARG 50 10.084 -19.433 -13.574 390 2HD ARG 50 HD1 ARG 50 8.823 -18.359 -12.973 391 HE ARG 50 HE ARG 50 8.329 -19.197 -15.656 392 1HH1 ARG 50 1HH1 ARG 50 8.068 -20.210 -12.314 393 2HH1 ARG 50 2HH1 ARG 50 6.766 -21.308 -12.622 394 1HH2 ARG 50 1HH2 ARG 50 6.615 -20.646 -16.055 395 2HH2 ARG 50 2HH2 ARG 50 5.941 -21.558 -14.745 396 H ASP 51 HN ASP 51 12.682 -14.678 -12.167 397 HA ASP 51 HA ASP 51 14.629 -16.199 -10.877 398 1HB ASP 51 HB2 ASP 51 15.267 -14.117 -11.852 399 2HB ASP 51 HB1 ASP 51 14.102 -13.227 -10.880 400 H LEU 52 HN LEU 52 12.471 -13.787 -9.367 401 HA LEU 52 HA LEU 52 13.110 -14.428 -6.714 402 1HB LEU 52 HB2 LEU 52 10.672 -13.150 -7.936 403 2HB LEU 52 HB1 LEU 52 10.874 -13.331 -6.204 404 HG LEU 52 HG LEU 52 13.024 -11.960 -7.758 405 1HD1 LEU 52 3HD1 LEU 52 10.866 -10.980 -8.511 406 2HD1 LEU 52 2HD1 LEU 52 10.516 -10.572 -6.831 407 3HD1 LEU 52 1HD1 LEU 52 11.904 -9.848 -7.644 408 1HD2 LEU 52 3HD2 LEU 52 13.135 -12.548 -5.290 409 2HD2 LEU 52 2HD2 LEU 52 13.458 -10.867 -5.717 410 3HD2 LEU 52 1HD2 LEU 52 11.890 -11.322 -5.048 411 H TYR 53 HN TYR 53 10.915 -15.928 -8.976 412 HA TYR 53 HA TYR 53 9.318 -17.339 -7.104 413 1HB TYR 53 HB2 TYR 53 9.817 -17.492 -10.036 414 2HB TYR 53 HB1 TYR 53 9.126 -18.913 -9.265 415 HD1 TYR 53 HD1 TYR 53 6.915 -18.968 -9.989 416 HD2 TYR 53 HD2 TYR 53 8.520 -15.302 -8.543 417 HE1 TYR 53 HE1 TYR 53 4.682 -17.947 -10.112 418 HE2 TYR 53 HE2 TYR 53 6.291 -14.273 -8.661 419 HH TYR 53 HH TYR 53 3.643 -15.606 -8.628 420 H SER 54 HN SER 54 12.137 -18.324 -9.054 421 HA SER 54 HA SER 54 12.352 -20.938 -8.054 422 1HB SER 54 HB2 SER 54 13.516 -19.943 -10.096 423 2HB SER 54 HB1 SER 54 14.693 -19.264 -8.972 424 HG SER 54 HG SER 54 15.607 -21.148 -9.294 425 H LYS 55 HN LYS 55 13.936 -17.925 -7.012 426 HA LYS 55 HA LYS 55 15.520 -19.045 -4.980 427 1HB LYS 55 HB2 LYS 55 14.523 -16.303 -5.613 428 2HB LYS 55 HB1 LYS 55 15.217 -16.587 -4.024 429 1HG LYS 55 HG2 LYS 55 17.279 -16.517 -4.831 430 2HG LYS 55 HG1 LYS 55 16.898 -17.701 -6.081 431 1HD LYS 55 HD2 LYS 55 17.499 -15.836 -7.321 432 2HD LYS 55 HD1 LYS 55 15.741 -15.708 -7.269 433 1HE LYS 55 HE2 LYS 55 17.159 -14.398 -5.050 434 2HE LYS 55 HE1 LYS 55 17.450 -13.697 -6.641 435 1HZ LYS 55 HZ3 LYS 55 15.048 -13.491 -6.934 436 2HZ LYS 55 HZ2 LYS 55 14.790 -14.130 -5.389 437 3HZ LYS 55 HZ1 LYS 55 15.574 -12.643 -5.569 438 H SER 56 HN SER 56 12.300 -17.523 -4.827 439 HA SER 56 HA SER 56 11.922 -17.816 -2.059 440 1HB SER 56 HB2 SER 56 10.001 -17.488 -4.354 441 2HB SER 56 HB1 SER 56 9.442 -17.625 -2.688 442 HG SER 56 HG SER 56 10.866 -15.570 -3.932 443 H THR 57 HN THR 57 11.803 -20.246 -4.521 444 HA THR 57 HA THR 57 9.880 -21.978 -3.491 445 HB THR 57 HB THR 57 12.443 -22.648 -4.952 446 HG1 THR 57 HG1 THR 57 11.273 -21.491 -6.340 447 1HG2 THR 57 3HG2 THR 57 9.995 -24.322 -4.469 448 2HG2 THR 57 2HG2 THR 57 11.199 -24.667 -5.711 449 3HG2 THR 57 1HG2 THR 57 11.659 -24.682 -4.010 450 H ALA 58 HN ALA 58 13.415 -22.116 -2.962 451 HA ALA 58 HA ALA 58 13.028 -23.923 -0.719 452 1HB ALA 58 HB3 ALA 58 14.842 -24.360 -2.288 453 2HB ALA 58 HB2 ALA 58 15.567 -22.801 -1.897 454 3HB ALA 58 HB1 ALA 58 15.466 -24.060 -0.666 455 H ALA 59 HN ALA 59 14.240 -20.635 -1.290 456 HA ALA 59 HA ALA 59 15.052 -20.078 1.341 457 1HB ALA 59 HB2 ALA 59 15.084 -17.756 0.686 458 2HB ALA 59 HB3 ALA 59 14.072 -18.105 -0.717 459 3HB ALA 59 HB1 ALA 59 15.711 -18.749 -0.629 460 H MET 60 HN MET 60 12.108 -18.853 -0.285 461 HA MET 60 HA MET 60 10.912 -17.872 2.055 462 1HB MET 60 HB2 MET 60 10.364 -17.595 -0.555 463 2HB MET 60 HB1 MET 60 9.128 -18.773 -0.135 464 1HG MET 60 HG2 MET 60 8.687 -17.089 1.843 465 2HG MET 60 HG1 MET 60 9.437 -15.949 0.725 466 1HE MET 60 HE1 MET 60 6.911 -14.944 1.441 467 2HE MET 60 HE3 MET 60 5.431 -15.502 0.659 468 3HE MET 60 HE2 MET 60 6.150 -16.447 1.965 469 H SER 61 HN SER 61 11.177 -21.127 0.965 470 HA SER 61 HA SER 61 8.794 -22.175 2.077 471 1HB SER 61 HB2 SER 61 11.170 -23.216 0.804 472 2HB SER 61 HB1 SER 61 10.728 -24.210 2.191 473 HG SER 61 HG SER 61 8.945 -24.816 1.208 474 H THR 62 HN THR 62 11.647 -21.027 3.579 475 HA THR 62 HA THR 62 11.108 -22.547 6.029 476 HB THR 62 HB THR 62 13.299 -21.636 6.807 477 HG1 THR 62 HG1 THR 62 13.921 -19.938 5.740 478 1HG2 THR 62 2HG2 THR 62 13.204 -23.823 5.670 479 2HG2 THR 62 1HG2 THR 62 13.536 -23.006 4.142 480 3HG2 THR 62 3HG2 THR 62 14.734 -22.975 5.437 481 H TYR 63 HN TYR 63 11.691 -19.203 4.943 482 HA TYR 63 HA TYR 63 11.025 -17.975 7.377 483 1HB TYR 63 HB2 TYR 63 12.322 -16.953 5.447 484 2HB TYR 63 HB1 TYR 63 10.772 -16.712 4.648 485 HD1 TYR 63 HD1 TYR 63 9.474 -14.817 5.121 486 HD2 TYR 63 HD2 TYR 63 12.664 -15.866 7.736 487 HE1 TYR 63 HE1 TYR 63 9.184 -12.690 6.319 488 HE2 TYR 63 HE2 TYR 63 12.382 -13.742 8.941 489 HH TYR 63 HH TYR 63 10.245 -12.066 9.249 490 H THR 64 HN THR 64 9.054 -19.359 4.891 491 HA THR 64 HA THR 64 6.749 -17.760 5.365 492 HB THR 64 HB THR 64 7.217 -20.382 3.989 493 HG1 THR 64 HG1 THR 64 7.390 -18.957 2.468 494 1HG2 THR 64 3HG2 THR 64 4.533 -19.241 4.688 495 2HG2 THR 64 2HG2 THR 64 4.786 -20.277 3.284 496 3HG2 THR 64 1HG2 THR 64 5.119 -20.890 4.903 497 H GLY 65 HN GLY 65 7.449 -21.123 6.305 498 1HA GLY 65 HA1 GLY 65 6.733 -22.342 8.122 499 2HA GLY 65 HA2 GLY 65 5.305 -21.311 8.138 500 H ILE 66 HN ILE 66 8.666 -20.298 8.467 501 HA ILE 66 HA ILE 66 8.722 -20.087 11.286 502 HB ILE 66 HB ILE 66 10.433 -19.092 9.064 503 1HG1 ILE 66 2HG1 ILE 66 12.142 -20.302 10.185 504 2HG1 ILE 66 1HG1 ILE 66 11.239 -20.329 11.695 505 1HG2 ILE 66 1HG2 ILE 66 10.395 -17.856 11.798 506 2HG2 ILE 66 3HG2 ILE 66 11.856 -17.888 10.811 507 3HG2 ILE 66 2HG2 ILE 66 10.415 -17.060 10.225 508 1HD1 ILE 66 2HD1 ILE 66 10.150 -21.698 9.277 509 2HD1 ILE 66 1HD1 ILE 66 11.396 -22.467 10.256 510 3HD1 ILE 66 3HD1 ILE 66 9.851 -22.027 10.982 511 H PHE 67 HN PHE 67 8.442 -17.508 8.826 512 HA PHE 67 HA PHE 67 7.936 -15.372 10.506 513 1HB PHE 67 HB2 PHE 67 8.308 -15.126 8.087 514 2HB PHE 67 HB1 PHE 67 6.727 -15.833 7.770 515 HD1 PHE 67 HD1 PHE 67 4.832 -14.487 7.668 516 HD2 PHE 67 HD2 PHE 67 8.392 -12.961 9.429 517 HE1 PHE 67 HE1 PHE 67 3.810 -12.252 7.789 518 HE2 PHE 67 HE2 PHE 67 7.378 -10.724 9.554 519 HZ PHE 67 HZ PHE 67 5.083 -10.367 8.733 520 H THR 68 HN THR 68 5.500 -17.433 8.923 521 HA THR 68 HA THR 68 3.280 -16.274 10.204 522 HB THR 68 HB THR 68 3.476 -19.073 9.092 523 HG1 THR 68 HG1 THR 68 2.937 -16.614 7.789 524 1HG2 THR 68 2HG2 THR 68 1.163 -17.269 9.673 525 2HG2 THR 68 1HG2 THR 68 1.063 -18.529 8.443 526 3HG2 THR 68 3HG2 THR 68 1.400 -18.958 10.121 527 H ASP 69 HN ASP 69 5.598 -18.562 11.304 528 HA ASP 69 HA ASP 69 4.117 -19.990 13.202 529 1HB ASP 69 HB2 ASP 69 6.533 -20.399 12.507 530 2HB ASP 69 HB1 ASP 69 6.975 -19.109 13.618 531 H GLN 70 HN GLN 70 6.069 -17.045 13.702 532 HA GLN 70 HA GLN 70 5.146 -16.623 16.358 533 1HB GLN 70 HB2 GLN 70 6.621 -14.889 14.387 534 2HB GLN 70 HB1 GLN 70 6.149 -14.294 15.972 535 1HG GLN 70 HG2 GLN 70 8.357 -14.988 16.233 536 2HG GLN 70 HG1 GLN 70 7.397 -16.297 16.921 537 1HE2 GLN 70 1HE2 GLN 70 8.913 -15.291 13.870 538 2HE2 GLN 70 2HE2 GLN 70 9.388 -16.878 13.386 539 H VAL 71 HN VAL 71 3.912 -15.751 13.240 540 HA VAL 71 HA VAL 71 2.262 -13.576 14.037 541 HB VAL 71 HB VAL 71 1.992 -15.457 11.675 542 1HG1 VAL 71 2HG1 VAL 71 0.510 -12.938 12.383 543 2HG1 VAL 71 1HG1 VAL 71 0.604 -13.553 10.734 544 3HG1 VAL 71 3HG1 VAL 71 -0.152 -14.526 11.995 545 1HG2 VAL 71 2HG2 VAL 71 4.008 -13.755 12.055 546 2HG2 VAL 71 1HG2 VAL 71 3.314 -14.061 10.462 547 3HG2 VAL 71 3HG2 VAL 71 2.833 -12.630 11.375 548 H LEU 72 HN LEU 72 1.593 -16.993 13.354 549 HA LEU 72 HA LEU 72 -1.076 -17.050 14.194 550 1HB LEU 72 HB2 LEU 72 0.947 -18.962 13.445 551 2HB LEU 72 HB1 LEU 72 0.088 -19.539 14.860 552 HG LEU 72 HG LEU 72 -2.059 -19.051 13.531 553 1HD1 LEU 72 3HD1 LEU 72 -0.766 -17.736 11.784 554 2HD1 LEU 72 2HD1 LEU 72 -0.214 -19.295 11.174 555 3HD1 LEU 72 1HD1 LEU 72 -1.935 -18.915 11.188 556 1HD2 LEU 72 3HD2 LEU 72 -1.252 -21.296 14.048 557 2HD2 LEU 72 2HD2 LEU 72 -1.950 -21.227 12.431 558 3HD2 LEU 72 1HD2 LEU 72 -0.199 -21.250 12.634 559 H SER 73 HN SER 73 1.975 -17.288 15.922 560 HA SER 73 HA SER 73 1.011 -18.142 18.411 561 1HB SER 73 HB2 SER 73 3.464 -17.803 17.586 562 2HB SER 73 HB1 SER 73 3.264 -16.164 18.205 563 HG SER 73 HG SER 73 4.115 -17.491 19.815 564 H VAL 74 HN VAL 74 1.186 -14.931 16.986 565 HA VAL 74 HA VAL 74 0.331 -13.550 19.338 566 HB VAL 74 HB VAL 74 0.097 -12.595 16.478 567 1HG1 VAL 74 2HG1 VAL 74 -0.050 -11.255 19.150 568 2HG1 VAL 74 1HG1 VAL 74 0.472 -10.357 17.726 569 3HG1 VAL 74 3HG1 VAL 74 -1.125 -11.101 17.761 570 1HG2 VAL 74 3HG2 VAL 74 2.446 -13.083 18.099 571 2HG2 VAL 74 2HG2 VAL 74 2.324 -12.641 16.396 572 3HG2 VAL 74 1HG2 VAL 74 2.317 -11.386 17.635 573 H LEU 75 HN LEU 75 -1.290 -15.448 16.984 574 HA LEU 75 HA LEU 75 -3.830 -14.205 16.996 575 1HB LEU 75 HB2 LEU 75 -2.801 -16.155 15.517 576 2HB LEU 75 HB1 LEU 75 -3.602 -17.161 16.710 577 HG LEU 75 HG LEU 75 -5.719 -15.813 16.167 578 1HD1 LEU 75 3HD1 LEU 75 -4.033 -15.108 13.768 579 2HD1 LEU 75 2HD1 LEU 75 -5.771 -14.851 13.908 580 3HD1 LEU 75 1HD1 LEU 75 -4.665 -13.986 14.973 581 1HD2 LEU 75 2HD2 LEU 75 -4.506 -17.626 14.083 582 2HD2 LEU 75 1HD2 LEU 75 -5.399 -18.137 15.516 583 3HD2 LEU 75 3HD2 LEU 75 -6.219 -17.238 14.240 584 H LYS 76 HN LYS 76 -2.290 -16.564 19.050 585 HA LYS 76 HA LYS 76 -4.605 -17.219 20.587 586 1HB LYS 76 HB2 LYS 76 -2.266 -18.442 20.327 587 2HB LYS 76 HB1 LYS 76 -1.858 -17.473 21.735 588 1HG LYS 76 HG2 LYS 76 -2.883 -18.917 23.057 589 2HG LYS 76 HG1 LYS 76 -4.396 -18.686 22.179 590 1HD LYS 76 HD2 LYS 76 -2.252 -20.481 21.095 591 2HD LYS 76 HD1 LYS 76 -3.376 -21.061 22.324 592 1HE LYS 76 HE2 LYS 76 -5.244 -20.721 20.914 593 2HE LYS 76 HE1 LYS 76 -4.300 -19.765 19.772 594 1HZ LYS 76 HZ2 LYS 76 -3.944 -22.669 20.294 595 2HZ LYS 76 HZ1 LYS 76 -4.716 -22.000 18.946 596 3HZ LYS 76 HZ3 LYS 76 -3.060 -21.749 19.183 597 H GLY 77 HN GLY 77 -1.883 -14.977 21.031 598 1HA GLY 77 HA1 GLY 77 -1.603 -13.177 22.429 599 2HA GLY 77 HA2 GLY 77 -2.569 -14.059 23.602 600 H GLU 78 HN GLU 78 -3.528 -12.899 20.385 601 HA GLU 78 HA GLU 78 -4.963 -10.632 21.329 602 1HB GLU 78 HB2 GLU 78 -5.139 -12.148 18.719 603 2HB GLU 78 HB1 GLU 78 -5.966 -10.629 19.036 604 1HG GLU 78 HG2 GLU 78 -3.948 -9.431 19.150 605 2HG GLU 78 HG1 GLU 78 -2.988 -10.904 19.274 606 H GLU 79 HN GLU 79 -6.005 -13.853 20.208 607 HA GLU 79 HA GLU 79 -8.474 -13.507 21.771 608 1HB GLU 79 HB2 GLU 79 -8.933 -13.209 19.351 609 2HB GLU 79 HB1 GLU 79 -8.292 -14.817 19.050 610 1HG GLU 79 HG2 GLU 79 -10.746 -14.754 19.096 611 2HG GLU 79 HG1 GLU 79 -10.067 -15.820 20.323 No H/Q in entry = 611 Start of MODEL 38 1 H1 THR 1 HT1 THR 1 34.415 -18.013 25.020 2 H2 THR 1 HT3 THR 1 34.305 -16.307 25.164 3 H3 THR 1 HT2 THR 1 34.719 -17.259 26.531 4 HA THR 1 HA THR 1 32.600 -18.236 26.595 5 HB THR 1 HB THR 1 31.234 -16.133 26.941 6 HG1 THR 1 HG1 THR 1 31.877 -14.448 25.903 7 1HG2 THR 1 3HG2 THR 1 32.848 -17.072 28.658 8 2HG2 THR 1 2HG2 THR 1 33.961 -15.807 28.138 9 3HG2 THR 1 1HG2 THR 1 32.394 -15.376 28.822 10 H GLN 2 HN GLN 2 30.433 -18.402 25.789 11 HA GLN 2 HA GLN 2 30.259 -17.946 22.884 12 1HB GLN 2 HB2 GLN 2 29.150 -20.090 24.671 13 2HB GLN 2 HB1 GLN 2 28.384 -19.741 23.128 14 1HG GLN 2 HG2 GLN 2 29.844 -21.508 22.693 15 2HG GLN 2 HG1 GLN 2 30.671 -20.076 22.083 16 1HE2 GLN 2 1HE2 GLN 2 30.453 -22.215 24.893 17 2HE2 GLN 2 2HE2 GLN 2 32.102 -22.038 25.376 18 H GLN 3 HN GLN 3 27.945 -18.375 25.578 19 HA GLN 3 HA GLN 3 25.942 -16.781 24.379 20 1HB GLN 3 HB2 GLN 3 26.354 -17.976 27.082 21 2HB GLN 3 HB1 GLN 3 25.123 -16.735 26.898 22 1HG GLN 3 HG2 GLN 3 23.975 -18.735 26.610 23 2HG GLN 3 HG1 GLN 3 24.234 -18.145 24.968 24 1HE2 GLN 3 1HE2 GLN 3 25.708 -19.209 23.628 25 2HE2 GLN 3 2HE2 GLN 3 26.288 -20.797 23.984 26 HA PRO 4 HA PRO 4 27.421 -13.308 27.446 27 1HB PRO 4 HB2 PRO 4 30.172 -14.045 28.131 28 2HB PRO 4 HB1 PRO 4 28.837 -13.593 29.193 29 1HG PRO 4 HG2 PRO 4 29.792 -16.111 29.079 30 2HG PRO 4 HG1 PRO 4 28.081 -15.759 29.387 31 1HD PRO 4 HD2 PRO 4 29.413 -16.621 26.844 32 2HD PRO 4 HD1 PRO 4 27.872 -17.155 27.547 33 H GLN 5 HN GLN 5 29.133 -14.721 24.866 34 HA GLN 5 HA GLN 5 31.035 -12.655 24.387 35 1HB GLN 5 HB2 GLN 5 30.867 -15.141 23.486 36 2HB GLN 5 HB1 GLN 5 30.002 -14.365 22.169 37 1HG GLN 5 HG2 GLN 5 32.026 -12.791 22.039 38 2HG GLN 5 HG1 GLN 5 32.849 -14.005 23.018 39 1HE2 GLN 5 1HE2 GLN 5 33.560 -13.217 20.379 40 2HE2 GLN 5 2HE2 GLN 5 33.390 -14.601 19.358 41 H GLN 6 HN GLN 6 30.803 -10.755 23.405 42 HA GLN 6 HA GLN 6 28.239 -9.745 22.735 43 1HB GLN 6 HB2 GLN 6 31.036 -8.712 22.587 44 2HB GLN 6 HB1 GLN 6 29.786 -7.866 21.687 45 1HG GLN 6 HG2 GLN 6 30.095 -6.833 23.837 46 2HG GLN 6 HG1 GLN 6 28.502 -7.584 23.759 47 1HE2 GLN 6 1HE2 GLN 6 31.828 -8.276 24.799 48 2HE2 GLN 6 2HE2 GLN 6 31.380 -9.187 26.197 49 H ASP 7 HN ASP 7 30.828 -11.169 20.844 50 HA ASP 7 HA ASP 7 29.877 -10.317 18.297 51 1HB ASP 7 HB2 ASP 7 31.635 -12.693 18.942 52 2HB ASP 7 HB1 ASP 7 31.456 -11.922 17.369 53 H GLU 8 HN GLU 8 29.309 -13.128 20.323 54 HA GLU 8 HA GLU 8 27.904 -14.654 18.374 55 1HB GLU 8 HB2 GLU 8 28.906 -15.744 20.296 56 2HB GLU 8 HB1 GLU 8 27.916 -14.797 21.395 57 1HG GLU 8 HG2 GLU 8 26.634 -16.585 19.372 58 2HG GLU 8 HG1 GLU 8 27.274 -17.248 20.874 59 H MET 9 HN MET 9 26.785 -12.741 21.178 60 HA MET 9 HA MET 9 24.031 -12.989 20.532 61 1HB MET 9 HB2 MET 9 23.632 -11.406 22.293 62 2HB MET 9 HB1 MET 9 24.915 -12.489 22.813 63 1HG MET 9 HG2 MET 9 26.576 -10.780 22.237 64 2HG MET 9 HG1 MET 9 25.276 -9.694 21.752 65 1HE MET 9 HE2 MET 9 26.293 -12.066 24.638 66 2HE MET 9 HE1 MET 9 27.523 -10.806 24.726 67 3HE MET 9 HE3 MET 9 26.347 -10.982 26.028 68 HA PRO 10 HA PRO 10 23.504 -9.842 17.475 69 1HB PRO 10 HB2 PRO 10 20.963 -9.044 17.949 70 2HB PRO 10 HB1 PRO 10 21.350 -10.623 17.255 71 1HG PRO 10 HG2 PRO 10 20.673 -9.913 20.084 72 2HG PRO 10 HG1 PRO 10 20.109 -11.283 19.109 73 1HD PRO 10 HD2 PRO 10 22.093 -11.502 20.950 74 2HD PRO 10 HD1 PRO 10 22.025 -12.500 19.484 75 H SER 11 HN SER 11 22.670 -7.508 17.223 76 HA SER 11 HA SER 11 24.052 -5.871 19.114 77 1HB SER 11 HB2 SER 11 22.725 -5.491 16.511 78 2HB SER 11 HB1 SER 11 22.634 -4.095 17.584 79 HG SER 11 HG SER 11 24.772 -3.878 17.517 80 HA PRO 12 HA PRO 12 20.777 -5.286 22.064 81 1HB PRO 12 HB2 PRO 12 21.665 -2.837 23.018 82 2HB PRO 12 HB1 PRO 12 22.224 -4.413 23.585 83 1HG PRO 12 HG2 PRO 12 23.484 -2.547 21.624 84 2HG PRO 12 HG1 PRO 12 24.247 -3.552 22.870 85 1HD PRO 12 HD2 PRO 12 24.290 -4.253 20.283 86 2HD PRO 12 HD1 PRO 12 24.136 -5.469 21.570 87 H THR 13 HN THR 13 21.789 -2.380 20.236 88 HA THR 13 HA THR 13 19.221 -1.147 20.414 89 HB THR 13 HB THR 13 20.175 0.392 18.632 90 HG1 THR 13 HG1 THR 13 21.991 -0.107 17.730 91 1HG2 THR 13 3HG2 THR 13 20.400 0.875 21.050 92 2HG2 THR 13 2HG2 THR 13 21.957 0.047 21.027 93 3HG2 THR 13 1HG2 THR 13 21.720 1.507 20.068 94 H PHE 14 HN PHE 14 17.469 -1.491 19.217 95 HA PHE 14 HA PHE 14 17.783 -2.842 16.616 96 1HB PHE 14 HB2 PHE 14 15.741 -3.298 18.785 97 2HB PHE 14 HB1 PHE 14 15.434 -3.771 17.117 98 HD1 PHE 14 HD1 PHE 14 16.701 -4.827 20.209 99 HD2 PHE 14 HD2 PHE 14 17.329 -5.231 16.020 100 HE1 PHE 14 HE1 PHE 14 17.895 -6.942 20.596 101 HE2 PHE 14 HE2 PHE 14 18.522 -7.348 16.398 102 HZ PHE 14 HZ PHE 14 18.807 -8.207 18.690 103 H LEU 15 HN LEU 15 15.135 -1.214 18.389 104 HA LEU 15 HA LEU 15 13.980 -0.084 16.081 105 1HB LEU 15 HB2 LEU 15 12.992 -0.426 18.458 106 2HB LEU 15 HB1 LEU 15 13.703 1.138 18.809 107 HG LEU 15 HG LEU 15 12.382 1.982 16.764 108 1HD1 LEU 15 2HD1 LEU 15 10.923 -0.598 17.320 109 2HD1 LEU 15 1HD1 LEU 15 10.321 0.716 16.308 110 3HD1 LEU 15 3HD1 LEU 15 11.772 -0.168 15.835 111 1HD2 LEU 15 2HD2 LEU 15 11.868 2.588 19.072 112 2HD2 LEU 15 1HD2 LEU 15 10.394 2.355 18.133 113 3HD2 LEU 15 3HD2 LEU 15 10.929 1.107 19.258 114 H THR 16 HN THR 16 15.894 1.476 18.662 115 HA THR 16 HA THR 16 16.140 3.981 17.451 116 HB THR 16 HB THR 16 16.681 3.524 19.819 117 HG1 THR 16 HG1 THR 16 17.569 5.388 19.297 118 1HG2 THR 16 1HG2 THR 16 17.973 1.404 19.389 119 2HG2 THR 16 3HG2 THR 16 19.318 2.432 18.894 120 3HG2 THR 16 2HG2 THR 16 18.689 2.534 20.539 121 H GLN 17 HN GLN 17 17.994 1.027 17.000 122 HA GLN 17 HA GLN 17 20.198 2.096 15.630 123 1HB GLN 17 HB2 GLN 17 19.814 -0.285 16.572 124 2HB GLN 17 HB1 GLN 17 19.064 -0.618 15.017 125 1HG GLN 17 HG2 GLN 17 21.107 -0.098 13.863 126 2HG GLN 17 HG1 GLN 17 21.869 0.413 15.368 127 1HE2 GLN 17 1HE2 GLN 17 20.332 -2.388 13.830 128 2HE2 GLN 17 2HE2 GLN 17 21.327 -3.572 14.599 129 H VAL 18 HN VAL 18 17.059 0.949 14.461 130 HA VAL 18 HA VAL 18 17.128 0.733 11.835 131 HB VAL 18 HB VAL 18 15.174 2.476 13.332 132 1HG1 VAL 18 3HG1 VAL 18 15.161 1.554 10.473 133 2HG1 VAL 18 2HG1 VAL 18 13.672 1.943 11.334 134 3HG1 VAL 18 1HG1 VAL 18 14.910 3.179 11.110 135 1HG2 VAL 18 2HG2 VAL 18 15.130 -0.407 12.453 136 2HG2 VAL 18 1HG2 VAL 18 15.130 0.215 14.104 137 3HG2 VAL 18 3HG2 VAL 18 13.720 0.455 13.071 138 H LYS 19 HN LYS 19 17.256 3.957 13.365 139 HA LYS 19 HA LYS 19 17.270 5.543 11.113 140 1HB LYS 19 HB2 LYS 19 18.513 5.858 13.821 141 2HB LYS 19 HB1 LYS 19 18.803 7.070 12.581 142 1HG LYS 19 HG2 LYS 19 16.983 8.007 13.531 143 2HG LYS 19 HG1 LYS 19 16.149 6.940 12.401 144 1HD LYS 19 HD2 LYS 19 16.827 5.704 14.978 145 2HD LYS 19 HD1 LYS 19 15.683 7.042 15.084 146 1HE LYS 19 HE2 LYS 19 15.270 4.935 13.013 147 2HE LYS 19 HE1 LYS 19 14.852 4.582 14.688 148 1HZ LYS 19 HZ1 LYS 19 13.400 6.516 14.694 149 2HZ LYS 19 HZ3 LYS 19 13.801 6.853 13.085 150 3HZ LYS 19 HZ2 LYS 19 12.955 5.439 13.468 151 H GLU 20 HN GLU 20 20.130 4.180 12.747 152 HA GLU 20 HA GLU 20 22.010 5.166 10.888 153 1HB GLU 20 HB2 GLU 20 22.233 2.724 12.656 154 2HB GLU 20 HB1 GLU 20 23.570 3.554 11.874 155 1HG GLU 20 HG2 GLU 20 23.777 4.590 13.842 156 2HG GLU 20 HG1 GLU 20 22.450 5.592 13.257 157 H SER 21 HN SER 21 19.974 2.350 10.928 158 HA SER 21 HA SER 21 21.284 0.800 8.971 159 1HB SER 21 HB2 SER 21 19.294 0.202 10.573 160 2HB SER 21 HB1 SER 21 18.295 0.776 9.239 161 HG SER 21 HG SER 21 18.875 -0.902 8.060 162 H LEU 22 HN LEU 22 18.914 3.402 8.747 163 HA LEU 22 HA LEU 22 18.440 3.137 5.951 164 1HB LEU 22 HB2 LEU 22 17.706 5.020 8.091 165 2HB LEU 22 HB1 LEU 22 17.831 5.742 6.500 166 HG LEU 22 HG LEU 22 15.537 5.081 6.981 167 1HD1 LEU 22 1HD1 LEU 22 16.529 4.929 4.659 168 2HD1 LEU 22 3HD1 LEU 22 16.632 3.187 4.920 169 3HD1 LEU 22 2HD1 LEU 22 15.063 3.992 4.946 170 1HD2 LEU 22 2HD2 LEU 22 16.076 3.228 8.524 171 2HD2 LEU 22 1HD2 LEU 22 14.903 2.773 7.289 172 3HD2 LEU 22 3HD2 LEU 22 16.582 2.257 7.141 173 H SER 23 HN SER 23 20.694 5.036 7.905 174 HA SER 23 HA SER 23 21.656 6.738 5.904 175 1HB SER 23 HB2 SER 23 23.249 5.609 8.218 176 2HB SER 23 HB1 SER 23 23.589 7.094 7.331 177 HG SER 23 HG SER 23 21.958 8.085 8.323 178 H SER 24 HN SER 24 22.963 3.613 7.012 179 HA SER 24 HA SER 24 25.002 3.450 5.061 180 1HB SER 24 HB2 SER 24 23.606 1.217 6.563 181 2HB SER 24 HB1 SER 24 25.122 1.061 5.674 182 HG SER 24 HG SER 24 24.612 2.235 8.135 183 H TYR 25 HN TYR 25 21.602 2.974 4.875 184 HA TYR 25 HA TYR 25 21.657 1.227 2.581 185 1HB TYR 25 HB2 TYR 25 19.726 0.884 3.816 186 2HB TYR 25 HB1 TYR 25 19.526 2.593 4.180 187 HD1 TYR 25 HD1 TYR 25 17.938 3.828 3.019 188 HD2 TYR 25 HD2 TYR 25 19.357 0.189 1.329 189 HE1 TYR 25 HE1 TYR 25 16.273 4.019 1.221 190 HE2 TYR 25 HE2 TYR 25 17.697 0.373 -0.475 191 HH TYR 25 HH TYR 25 16.312 2.850 -1.457 192 H TRP 26 HN TRP 26 21.126 4.680 3.197 193 HA TRP 26 HA TRP 26 20.437 5.412 0.563 194 1HB TRP 26 HB2 TRP 26 21.705 7.034 2.781 195 2HB TRP 26 HB1 TRP 26 21.102 7.719 1.276 196 HD1 TRP 26 HD1 TRP 26 20.046 7.535 4.651 197 HE1 TRP 26 HE1 TRP 26 17.486 7.535 4.905 198 HE3 TRP 26 HE3 TRP 26 18.749 6.358 -0.154 199 HZ2 TRP 26 HZ2 TRP 26 15.216 7.097 3.285 200 HZ3 TRP 26 HZ3 TRP 26 16.363 6.170 -0.719 201 HH2 TRP 26 HH2 TRP 26 14.634 6.532 0.967 202 H GLU 27 HN GLU 27 23.526 5.102 2.208 203 HA GLU 27 HA GLU 27 25.338 6.318 0.607 204 1HB GLU 27 HB2 GLU 27 26.020 5.089 2.572 205 2HB GLU 27 HB1 GLU 27 25.529 3.567 1.846 206 1HG GLU 27 HG2 GLU 27 27.579 5.185 0.437 207 2HG GLU 27 HG1 GLU 27 28.050 4.346 1.913 208 H SER 28 HN SER 28 24.253 2.964 0.110 209 HA SER 28 HA SER 28 25.254 3.004 -2.621 210 1HB SER 28 HB2 SER 28 24.589 0.592 -2.613 211 2HB SER 28 HB1 SER 28 25.734 1.013 -1.341 212 HG SER 28 HG SER 28 24.245 0.664 0.140 213 H ALA 29 HN ALA 29 22.355 3.778 -1.061 214 HA ALA 29 HA ALA 29 20.416 2.731 -2.808 215 1HB ALA 29 HB2 ALA 29 19.832 3.721 -0.659 216 2HB ALA 29 HB3 ALA 29 18.937 4.488 -1.970 217 3HB ALA 29 HB1 ALA 29 20.319 5.310 -1.248 218 H LYS 30 HN LYS 30 22.379 5.668 -3.014 219 HA LYS 30 HA LYS 30 21.089 6.981 -5.082 220 1HB LYS 30 HB2 LYS 30 24.015 6.831 -4.375 221 2HB LYS 30 HB1 LYS 30 23.414 7.865 -5.664 222 1HG LYS 30 HG2 LYS 30 22.227 9.225 -4.178 223 2HG LYS 30 HG1 LYS 30 22.320 8.035 -2.878 224 1HD LYS 30 HD2 LYS 30 24.961 8.503 -3.416 225 2HD LYS 30 HD1 LYS 30 24.242 10.090 -3.696 226 1HE LYS 30 HE2 LYS 30 24.708 10.201 -1.446 227 2HE LYS 30 HE1 LYS 30 23.041 9.627 -1.423 228 1HZ LYS 30 HZ2 LYS 30 23.942 7.342 -1.231 229 2HZ LYS 30 HZ1 LYS 30 25.495 7.992 -1.076 230 3HZ LYS 30 HZ3 LYS 30 24.317 8.325 0.093 231 H THR 31 HN THR 31 23.676 4.553 -5.371 232 HA THR 31 HA THR 31 23.959 4.439 -8.106 233 HB THR 31 HB THR 31 23.909 1.975 -6.358 234 HG1 THR 31 HG1 THR 31 25.954 3.925 -6.607 235 1HG2 THR 31 3HG2 THR 31 25.573 2.697 -8.758 236 2HG2 THR 31 2HG2 THR 31 25.777 1.251 -7.771 237 3HG2 THR 31 1HG2 THR 31 24.290 1.488 -8.688 238 H ALA 32 HN ALA 32 21.467 3.033 -6.061 239 HA ALA 32 HA ALA 32 20.181 1.467 -8.025 240 1HB ALA 32 HB2 ALA 32 18.615 2.761 -5.836 241 2HB ALA 32 HB1 ALA 32 18.513 1.120 -6.476 242 3HB ALA 32 HB3 ALA 32 19.855 1.575 -5.427 243 H ALA 33 HN ALA 33 19.729 4.846 -6.992 244 HA ALA 33 HA ALA 33 17.483 5.527 -8.441 245 1HB ALA 33 HB1 ALA 33 18.811 6.982 -6.837 246 2HB ALA 33 HB3 ALA 33 19.848 7.367 -8.210 247 3HB ALA 33 HB2 ALA 33 18.136 7.785 -8.254 248 H GLN 34 HN GLN 34 20.847 5.782 -9.583 249 HA GLN 34 HA GLN 34 20.145 6.491 -12.230 250 1HB GLN 34 HB2 GLN 34 22.658 5.184 -11.161 251 2HB GLN 34 HB1 GLN 34 22.484 5.821 -12.790 252 1HG GLN 34 HG2 GLN 34 22.887 7.903 -12.130 253 2HG GLN 34 HG1 GLN 34 21.776 7.775 -10.766 254 1HE2 GLN 34 1HE2 GLN 34 22.556 7.105 -8.761 255 2HE2 GLN 34 2HE2 GLN 34 24.244 7.085 -8.394 256 H ASN 35 HN ASN 35 20.677 3.429 -10.584 257 HA ASN 35 HA ASN 35 20.657 1.756 -12.849 258 1HB ASN 35 HB2 ASN 35 21.303 1.167 -10.429 259 2HB ASN 35 HB1 ASN 35 19.580 0.921 -10.165 260 1HD2 ASN 35 1HD2 ASN 35 22.257 -0.055 -12.266 261 2HD2 ASN 35 2HD2 ASN 35 21.683 -1.662 -12.539 262 H LEU 36 HN LEU 36 18.100 3.330 -11.133 263 HA LEU 36 HA LEU 36 15.897 1.780 -11.881 264 1HB LEU 36 HB2 LEU 36 16.088 3.917 -10.345 265 2HB LEU 36 HB1 LEU 36 15.734 4.775 -11.834 266 HG LEU 36 HG LEU 36 13.724 3.022 -11.915 267 1HD1 LEU 36 3HD1 LEU 36 14.404 1.884 -9.856 268 2HD1 LEU 36 2HD1 LEU 36 14.232 3.398 -8.967 269 3HD1 LEU 36 1HD1 LEU 36 12.818 2.637 -9.695 270 1HD2 LEU 36 1HD2 LEU 36 13.516 5.451 -11.997 271 2HD2 LEU 36 3HD2 LEU 36 12.316 4.751 -10.909 272 3HD2 LEU 36 2HD2 LEU 36 13.751 5.537 -10.250 273 H TYR 37 HN TYR 37 17.534 4.488 -13.410 274 HA TYR 37 HA TYR 37 15.994 4.544 -15.791 275 1HB TYR 37 HB2 TYR 37 18.613 5.673 -14.914 276 2HB TYR 37 HB1 TYR 37 18.309 5.583 -16.646 277 HD1 TYR 37 HD1 TYR 37 16.508 6.894 -17.662 278 HD2 TYR 37 HD2 TYR 37 17.380 7.203 -13.510 279 HE1 TYR 37 HE1 TYR 37 15.186 8.961 -17.546 280 HE2 TYR 37 HE2 TYR 37 16.060 9.272 -13.380 281 HH TYR 37 HH TYR 37 15.365 11.156 -15.564 282 H GLU 38 HN GLU 38 18.893 2.799 -14.779 283 HA GLU 38 HA GLU 38 19.634 1.704 -17.254 284 1HB GLU 38 HB2 GLU 38 20.147 1.030 -14.419 285 2HB GLU 38 HB1 GLU 38 20.392 -0.269 -15.575 286 1HG GLU 38 HG2 GLU 38 22.481 0.698 -15.420 287 2HG GLU 38 HG1 GLU 38 21.810 1.438 -16.873 288 H LYS 39 HN LYS 39 17.746 0.144 -14.690 289 HA LYS 39 HA LYS 39 17.026 -2.129 -16.151 290 1HB LYS 39 HB2 LYS 39 16.833 -1.515 -13.588 291 2HB LYS 39 HB1 LYS 39 15.196 -1.067 -14.048 292 1HG LYS 39 HG2 LYS 39 14.762 -3.215 -13.560 293 2HG LYS 39 HG1 LYS 39 15.352 -3.493 -15.200 294 1HD LYS 39 HD2 LYS 39 17.385 -3.411 -13.049 295 2HD LYS 39 HD1 LYS 39 16.297 -4.800 -13.057 296 1HE LYS 39 HE2 LYS 39 17.130 -5.615 -15.011 297 2HE LYS 39 HE1 LYS 39 17.505 -4.015 -15.646 298 1HZ LYS 39 HZ1 LYS 39 19.042 -5.339 -13.479 299 2HZ LYS 39 HZ3 LYS 39 19.481 -5.379 -15.113 300 3HZ LYS 39 HZ2 LYS 39 19.443 -3.906 -14.283 301 H THR 40 HN THR 40 15.941 1.066 -16.607 302 HA THR 40 HA THR 40 13.238 0.633 -17.274 303 HB THR 40 HB THR 40 15.156 2.672 -18.423 304 HG1 THR 40 HG1 THR 40 14.382 4.004 -16.806 305 1HG2 THR 40 2HG2 THR 40 12.150 2.616 -18.411 306 2HG2 THR 40 1HG2 THR 40 13.121 4.043 -18.776 307 3HG2 THR 40 3HG2 THR 40 13.218 2.621 -19.815 308 H TYR 41 HN TYR 41 16.079 0.856 -19.371 309 HA TYR 41 HA TYR 41 14.765 0.002 -21.730 310 1HB TYR 41 HB2 TYR 41 16.842 1.275 -21.813 311 2HB TYR 41 HB1 TYR 41 17.704 -0.033 -21.013 312 HD1 TYR 41 HD1 TYR 41 15.942 0.910 -24.132 313 HD2 TYR 41 HD2 TYR 41 18.573 -1.855 -22.250 314 HE1 TYR 41 HE1 TYR 41 16.470 -0.073 -26.323 315 HE2 TYR 41 HE2 TYR 41 19.108 -2.845 -24.436 316 HH TYR 41 HH TYR 41 18.881 -1.628 -27.113 317 H LEU 42 HN LEU 42 16.649 -1.745 -19.282 318 HA LEU 42 HA LEU 42 16.764 -4.223 -20.619 319 1HB LEU 42 HB2 LEU 42 16.941 -3.522 -17.695 320 2HB LEU 42 HB1 LEU 42 17.199 -5.144 -18.309 321 HG LEU 42 HG LEU 42 18.818 -2.973 -19.530 322 1HD1 LEU 42 3HD1 LEU 42 18.803 -2.529 -17.056 323 2HD1 LEU 42 2HD1 LEU 42 19.542 -4.116 -16.843 324 3HD1 LEU 42 1HD1 LEU 42 20.386 -2.866 -17.756 325 1HD2 LEU 42 3HD2 LEU 42 19.003 -5.296 -20.276 326 2HD2 LEU 42 2HD2 LEU 42 20.509 -4.726 -19.556 327 3HD2 LEU 42 1HD2 LEU 42 19.438 -5.788 -18.640 328 HA PRO 43 HA PRO 43 12.633 -5.704 -19.788 329 1HB PRO 43 HB2 PRO 43 12.758 -7.914 -21.261 330 2HB PRO 43 HB1 PRO 43 12.868 -6.321 -22.018 331 1HG PRO 43 HG2 PRO 43 15.012 -8.312 -21.478 332 2HG PRO 43 HG1 PRO 43 14.853 -7.165 -22.818 333 1HD PRO 43 HD2 PRO 43 16.408 -6.847 -20.464 334 2HD PRO 43 HD1 PRO 43 16.094 -5.627 -21.713 335 H ALA 44 HN ALA 44 14.479 -6.165 -17.636 336 HA ALA 44 HA ALA 44 14.714 -8.889 -16.929 337 1HB ALA 44 HB3 ALA 44 14.741 -6.428 -15.191 338 2HB ALA 44 HB2 ALA 44 15.219 -8.044 -14.670 339 3HB ALA 44 HB1 ALA 44 16.134 -7.218 -15.931 340 H VAL 45 HN VAL 45 11.991 -6.829 -16.885 341 HA VAL 45 HA VAL 45 10.451 -7.325 -14.772 342 HB VAL 45 HB VAL 45 9.473 -7.566 -17.622 343 1HG1 VAL 45 3HG1 VAL 45 8.016 -7.151 -15.023 344 2HG1 VAL 45 2HG1 VAL 45 7.321 -6.712 -16.584 345 3HG1 VAL 45 1HG1 VAL 45 7.743 -8.391 -16.248 346 1HG2 VAL 45 2HG2 VAL 45 9.990 -5.227 -15.821 347 2HG2 VAL 45 1HG2 VAL 45 10.484 -5.473 -17.496 348 3HG2 VAL 45 3HG2 VAL 45 8.797 -5.130 -17.115 349 H ASP 46 HN ASP 46 10.193 -9.547 -17.567 350 HA ASP 46 HA ASP 46 8.926 -11.547 -15.958 351 1HB ASP 46 HB2 ASP 46 8.550 -11.104 -18.449 352 2HB ASP 46 HB1 ASP 46 10.053 -11.981 -18.718 353 H GLU 47 HN GLU 47 12.221 -10.989 -17.074 354 HA GLU 47 HA GLU 47 13.195 -13.618 -16.576 355 1HB GLU 47 HB2 GLU 47 14.497 -12.247 -18.002 356 2HB GLU 47 HB1 GLU 47 14.535 -10.931 -16.839 357 1HG GLU 47 HG2 GLU 47 15.742 -13.460 -15.939 358 2HG GLU 47 HG1 GLU 47 16.568 -12.643 -17.263 359 H LYS 48 HN LYS 48 13.709 -10.623 -14.695 360 HA LYS 48 HA LYS 48 14.852 -11.815 -12.445 361 1HB LYS 48 HB2 LYS 48 14.727 -9.332 -13.085 362 2HB LYS 48 HB1 LYS 48 13.145 -9.337 -12.321 363 1HG LYS 48 HG2 LYS 48 15.294 -10.483 -10.688 364 2HG LYS 48 HG1 LYS 48 15.476 -8.768 -11.062 365 1HD LYS 48 HD2 LYS 48 13.771 -8.178 -9.725 366 2HD LYS 48 HD1 LYS 48 12.765 -9.525 -10.261 367 1HE LYS 48 HE2 LYS 48 13.094 -10.162 -8.101 368 2HE LYS 48 HE1 LYS 48 14.511 -10.913 -8.832 369 1HZ LYS 48 HZ2 LYS 48 14.496 -8.248 -7.522 370 2HZ LYS 48 HZ1 LYS 48 15.030 -9.678 -6.795 371 3HZ LYS 48 HZ3 LYS 48 15.849 -9.054 -8.138 372 H LEU 49 HN LEU 49 11.520 -11.609 -13.429 373 HA LEU 49 HA LEU 49 10.274 -12.002 -10.929 374 1HB LEU 49 HB2 LEU 49 9.444 -11.733 -13.599 375 2HB LEU 49 HB1 LEU 49 8.858 -13.304 -13.094 376 HG LEU 49 HG LEU 49 7.161 -11.589 -12.755 377 1HD1 LEU 49 1HD1 LEU 49 7.329 -13.522 -11.205 378 2HD1 LEU 49 3HD1 LEU 49 8.253 -12.503 -10.101 379 3HD1 LEU 49 2HD1 LEU 49 6.582 -12.095 -10.486 380 1HD2 LEU 49 1HD2 LEU 49 8.652 -9.674 -12.444 381 2HD2 LEU 49 3HD2 LEU 49 7.474 -9.798 -11.136 382 3HD2 LEU 49 2HD2 LEU 49 9.141 -10.310 -10.874 383 H ARG 50 HN ARG 50 10.893 -14.341 -13.550 384 HA ARG 50 HA ARG 50 10.345 -16.629 -11.991 385 1HB ARG 50 HB2 ARG 50 11.339 -16.055 -14.667 386 2HB ARG 50 HB1 ARG 50 12.156 -17.438 -13.953 387 1HG ARG 50 HG2 ARG 50 9.219 -17.393 -13.687 388 2HG ARG 50 HG1 ARG 50 9.856 -17.610 -15.319 389 1HD ARG 50 HD2 ARG 50 9.556 -19.777 -14.370 390 2HD ARG 50 HD1 ARG 50 11.288 -19.454 -14.427 391 HE ARG 50 HE ARG 50 10.052 -18.769 -11.918 392 1HH1 ARG 50 1HH1 ARG 50 11.554 -21.338 -13.764 393 2HH1 ARG 50 2HH1 ARG 50 12.018 -22.239 -12.362 394 1HH2 ARG 50 1HH2 ARG 50 10.668 -19.961 -10.076 395 2HH2 ARG 50 2HH2 ARG 50 11.514 -21.459 -10.268 396 H ASP 51 HN ASP 51 13.224 -14.699 -12.511 397 HA ASP 51 HA ASP 51 15.190 -16.431 -11.564 398 1HB ASP 51 HB2 ASP 51 14.918 -13.521 -11.914 399 2HB ASP 51 HB1 ASP 51 16.088 -14.002 -10.691 400 H LEU 52 HN LEU 52 13.575 -13.853 -9.688 401 HA LEU 52 HA LEU 52 14.560 -14.776 -7.191 402 1HB LEU 52 HB2 LEU 52 13.537 -12.452 -7.988 403 2HB LEU 52 HB1 LEU 52 12.075 -13.149 -7.316 404 HG LEU 52 HG LEU 52 13.403 -13.531 -5.177 405 1HD1 LEU 52 2HD1 LEU 52 15.346 -11.876 -6.744 406 2HD1 LEU 52 1HD1 LEU 52 15.295 -11.794 -4.983 407 3HD1 LEU 52 3HD1 LEU 52 15.636 -13.327 -5.786 408 1HD2 LEU 52 3HD2 LEU 52 11.720 -11.758 -5.468 409 2HD2 LEU 52 2HD2 LEU 52 13.039 -11.266 -4.406 410 3HD2 LEU 52 1HD2 LEU 52 12.981 -10.681 -6.069 411 H TYR 53 HN TYR 53 11.887 -15.755 -9.144 412 HA TYR 53 HA TYR 53 10.180 -16.738 -7.107 413 1HB TYR 53 HB2 TYR 53 9.670 -16.315 -9.612 414 2HB TYR 53 HB1 TYR 53 10.324 -17.928 -9.868 415 HD1 TYR 53 HD1 TYR 53 9.239 -19.864 -8.592 416 HD2 TYR 53 HD2 TYR 53 7.445 -16.021 -8.940 417 HE1 TYR 53 HE1 TYR 53 7.055 -20.839 -8.028 418 HE2 TYR 53 HE2 TYR 53 5.257 -16.986 -8.376 419 HH TYR 53 HH TYR 53 4.693 -19.535 -6.897 420 H SER 54 HN SER 54 12.673 -18.316 -9.110 421 HA SER 54 HA SER 54 12.341 -20.911 -8.090 422 1HB SER 54 HB2 SER 54 14.627 -21.339 -8.957 423 2HB SER 54 HB1 SER 54 13.612 -20.502 -10.131 424 HG SER 54 HG SER 54 14.795 -18.731 -9.923 425 H LYS 55 HN LYS 55 14.585 -18.321 -7.108 426 HA LYS 55 HA LYS 55 15.844 -19.737 -5.027 427 1HB LYS 55 HB2 LYS 55 15.548 -16.852 -5.740 428 2HB LYS 55 HB1 LYS 55 16.149 -17.257 -4.138 429 1HG LYS 55 HG2 LYS 55 18.134 -17.159 -5.202 430 2HG LYS 55 HG1 LYS 55 17.739 -18.837 -5.584 431 1HD LYS 55 HD2 LYS 55 18.057 -18.249 -7.721 432 2HD LYS 55 HD1 LYS 55 16.488 -17.451 -7.599 433 1HE LYS 55 HE2 LYS 55 18.946 -15.991 -6.739 434 2HE LYS 55 HE1 LYS 55 18.594 -16.146 -8.459 435 1HZ LYS 55 HZ1 LYS 55 16.616 -15.101 -6.515 436 2HZ LYS 55 HZ3 LYS 55 17.712 -14.100 -7.327 437 3HZ LYS 55 HZ2 LYS 55 16.575 -14.993 -8.202 438 H SER 56 HN SER 56 13.007 -17.603 -5.037 439 HA SER 56 HA SER 56 12.546 -17.588 -2.266 440 1HB SER 56 HB2 SER 56 11.520 -16.025 -3.931 441 2HB SER 56 HB1 SER 56 10.453 -17.336 -4.433 442 HG SER 56 HG SER 56 10.489 -15.871 -2.049 443 H THR 57 HN THR 57 11.788 -20.047 -4.657 444 HA THR 57 HA THR 57 9.690 -21.354 -3.367 445 HB THR 57 HB THR 57 11.896 -22.602 -5.022 446 HG1 THR 57 HG1 THR 57 11.018 -21.326 -6.458 447 1HG2 THR 57 1HG2 THR 57 9.126 -23.572 -4.373 448 2HG2 THR 57 3HG2 THR 57 10.130 -24.228 -5.665 449 3HG2 THR 57 2HG2 THR 57 10.659 -24.354 -3.987 450 H ALA 58 HN ALA 58 13.202 -21.785 -2.998 451 HA ALA 58 HA ALA 58 12.815 -23.745 -0.886 452 1HB ALA 58 HB2 ALA 58 14.603 -24.097 -2.501 453 2HB ALA 58 HB1 ALA 58 15.352 -22.574 -2.021 454 3HB ALA 58 HB3 ALA 58 15.256 -23.910 -0.873 455 H ALA 59 HN ALA 59 14.144 -20.460 -1.227 456 HA ALA 59 HA ALA 59 14.932 -20.117 1.450 457 1HB ALA 59 HB2 ALA 59 14.915 -17.698 0.935 458 2HB ALA 59 HB3 ALA 59 14.134 -18.060 -0.604 459 3HB ALA 59 HB1 ALA 59 15.761 -18.659 -0.279 460 H MET 60 HN MET 60 12.038 -18.761 -0.161 461 HA MET 60 HA MET 60 10.823 -17.829 2.191 462 1HB MET 60 HB2 MET 60 10.303 -17.265 -0.273 463 2HB MET 60 HB1 MET 60 9.252 -18.673 -0.226 464 1HG MET 60 HG2 MET 60 8.013 -16.626 0.174 465 2HG MET 60 HG1 MET 60 7.972 -17.681 1.583 466 1HE MET 60 HE1 MET 60 8.510 -17.077 3.802 467 2HE MET 60 HE3 MET 60 8.823 -15.422 4.325 468 3HE MET 60 HE2 MET 60 7.343 -15.803 3.444 469 H SER 61 HN SER 61 11.087 -21.054 1.025 470 HA SER 61 HA SER 61 8.680 -22.124 2.063 471 1HB SER 61 HB2 SER 61 11.049 -23.126 0.776 472 2HB SER 61 HB1 SER 61 10.656 -24.143 2.162 473 HG SER 61 HG SER 61 8.861 -24.770 1.212 474 H THR 62 HN THR 62 11.555 -21.065 3.620 475 HA THR 62 HA THR 62 10.979 -22.615 6.037 476 HB THR 62 HB THR 62 13.144 -21.730 6.865 477 HG1 THR 62 HG1 THR 62 13.715 -19.939 5.917 478 1HG2 THR 62 3HG2 THR 62 13.110 -23.839 5.579 479 2HG2 THR 62 2HG2 THR 62 13.462 -22.913 4.120 480 3HG2 THR 62 1HG2 THR 62 14.626 -22.951 5.444 481 H TYR 63 HN TYR 63 11.522 -19.251 5.011 482 HA TYR 63 HA TYR 63 10.803 -18.057 7.447 483 1HB TYR 63 HB2 TYR 63 10.670 -16.854 4.675 484 2HB TYR 63 HB1 TYR 63 10.716 -15.969 6.197 485 HD1 TYR 63 HD1 TYR 63 12.645 -17.151 3.514 486 HD2 TYR 63 HD2 TYR 63 12.817 -16.508 7.717 487 HE1 TYR 63 HE1 TYR 63 15.100 -17.106 3.401 488 HE2 TYR 63 HE2 TYR 63 15.273 -16.460 7.614 489 HH TYR 63 HH TYR 63 17.055 -17.636 5.608 490 H THR 64 HN THR 64 8.897 -19.544 5.002 491 HA THR 64 HA THR 64 6.547 -17.978 5.364 492 HB THR 64 HB THR 64 7.139 -20.623 4.098 493 HG1 THR 64 HG1 THR 64 7.012 -19.398 2.422 494 1HG2 THR 64 2HG2 THR 64 4.386 -19.665 4.805 495 2HG2 THR 64 1HG2 THR 64 4.698 -20.729 3.433 496 3HG2 THR 64 3HG2 THR 64 5.101 -21.256 5.067 497 H GLY 65 HN GLY 65 7.364 -21.254 6.495 498 1HA GLY 65 HA1 GLY 65 6.659 -22.415 8.353 499 2HA GLY 65 HA2 GLY 65 5.210 -21.413 8.331 500 H ILE 66 HN ILE 66 8.538 -20.278 8.580 501 HA ILE 66 HA ILE 66 8.631 -19.955 11.388 502 HB ILE 66 HB ILE 66 10.187 -18.611 9.177 503 1HG1 ILE 66 2HG1 ILE 66 11.203 -20.546 11.249 504 2HG1 ILE 66 1HG1 ILE 66 10.442 -21.112 9.767 505 1HG2 ILE 66 2HG2 ILE 66 10.385 -18.248 12.151 506 2HG2 ILE 66 1HG2 ILE 66 11.760 -17.966 11.084 507 3HG2 ILE 66 3HG2 ILE 66 10.286 -17.017 10.892 508 1HD1 ILE 66 1HD1 ILE 66 12.208 -19.488 8.666 509 2HD1 ILE 66 3HD1 ILE 66 13.065 -19.799 10.175 510 3HD1 ILE 66 2HD1 ILE 66 12.617 -21.141 9.123 511 H PHE 67 HN PHE 67 8.164 -17.525 8.813 512 HA PHE 67 HA PHE 67 7.613 -15.318 10.387 513 1HB PHE 67 HB2 PHE 67 7.893 -15.149 7.968 514 2HB PHE 67 HB1 PHE 67 6.386 -16.023 7.710 515 HD1 PHE 67 HD1 PHE 67 4.308 -14.912 7.751 516 HD2 PHE 67 HD2 PHE 67 7.833 -12.876 8.990 517 HE1 PHE 67 HE1 PHE 67 3.072 -12.785 7.759 518 HE2 PHE 67 HE2 PHE 67 6.603 -10.745 9.001 519 HZ PHE 67 HZ PHE 67 4.220 -10.698 8.385 520 H THR 68 HN THR 68 5.203 -17.543 8.981 521 HA THR 68 HA THR 68 2.994 -16.417 10.312 522 HB THR 68 HB THR 68 1.797 -18.487 9.671 523 HG1 THR 68 HG1 THR 68 3.160 -20.130 9.757 524 1HG2 THR 68 3HG2 THR 68 3.551 -17.392 7.488 525 2HG2 THR 68 2HG2 THR 68 2.107 -18.375 7.248 526 3HG2 THR 68 1HG2 THR 68 1.974 -16.776 7.979 527 H ASP 69 HN ASP 69 5.436 -18.570 11.403 528 HA ASP 69 HA ASP 69 4.079 -19.997 13.390 529 1HB ASP 69 HB2 ASP 69 6.723 -19.784 12.572 530 2HB ASP 69 HB1 ASP 69 6.756 -19.186 14.228 531 H GLN 70 HN GLN 70 5.978 -16.995 13.804 532 HA GLN 70 HA GLN 70 5.025 -16.538 16.445 533 1HB GLN 70 HB2 GLN 70 7.146 -15.614 15.104 534 2HB GLN 70 HB1 GLN 70 6.057 -14.262 14.834 535 1HG GLN 70 HG2 GLN 70 7.289 -13.708 16.745 536 2HG GLN 70 HG1 GLN 70 5.708 -14.214 17.337 537 1HE2 GLN 70 1HE2 GLN 70 5.533 -16.046 18.576 538 2HE2 GLN 70 2HE2 GLN 70 6.899 -16.920 19.171 539 H VAL 71 HN VAL 71 3.773 -15.782 13.316 540 HA VAL 71 HA VAL 71 2.124 -13.583 14.036 541 HB VAL 71 HB VAL 71 1.875 -15.558 11.754 542 1HG1 VAL 71 3HG1 VAL 71 0.292 -13.084 12.393 543 2HG1 VAL 71 2HG1 VAL 71 0.411 -13.733 10.757 544 3HG1 VAL 71 1HG1 VAL 71 -0.301 -14.708 12.042 545 1HG2 VAL 71 1HG2 VAL 71 3.814 -13.739 12.071 546 2HG2 VAL 71 3HG2 VAL 71 3.154 -14.171 10.494 547 3HG2 VAL 71 2HG2 VAL 71 2.588 -12.719 11.318 548 H LEU 72 HN LEU 72 1.406 -17.020 13.466 549 HA LEU 72 HA LEU 72 -1.242 -16.985 14.375 550 1HB LEU 72 HB2 LEU 72 -1.193 -19.302 14.283 551 2HB LEU 72 HB1 LEU 72 0.044 -18.850 13.130 552 HG LEU 72 HG LEU 72 1.536 -19.139 15.389 553 1HD1 LEU 72 1HD1 LEU 72 -0.554 -19.941 16.559 554 2HD1 LEU 72 3HD1 LEU 72 -0.477 -21.365 15.521 555 3HD1 LEU 72 2HD1 LEU 72 0.843 -21.016 16.638 556 1HD2 LEU 72 3HD2 LEU 72 1.859 -20.086 13.080 557 2HD2 LEU 72 2HD2 LEU 72 2.353 -21.137 14.407 558 3HD2 LEU 72 1HD2 LEU 72 0.828 -21.430 13.570 559 H SER 73 HN SER 73 1.840 -17.242 16.032 560 HA SER 73 HA SER 73 0.932 -18.023 18.561 561 1HB SER 73 HB2 SER 73 3.364 -17.753 17.673 562 2HB SER 73 HB1 SER 73 3.210 -16.088 18.232 563 HG SER 73 HG SER 73 4.092 -17.430 19.847 564 H VAL 74 HN VAL 74 1.112 -14.840 17.068 565 HA VAL 74 HA VAL 74 0.351 -13.427 19.430 566 HB VAL 74 HB VAL 74 1.473 -12.574 17.176 567 1HG1 VAL 74 1HG1 VAL 74 -0.953 -13.042 16.128 568 2HG1 VAL 74 3HG1 VAL 74 -1.172 -11.371 16.646 569 3HG1 VAL 74 2HG1 VAL 74 0.133 -11.788 15.535 570 1HG2 VAL 74 3HG2 VAL 74 -0.315 -11.046 19.045 571 2HG2 VAL 74 2HG2 VAL 74 1.441 -11.205 19.087 572 3HG2 VAL 74 1HG2 VAL 74 0.672 -10.251 17.818 573 H LEU 75 HN LEU 75 -1.384 -15.314 17.158 574 HA LEU 75 HA LEU 75 -3.899 -14.023 17.248 575 1HB LEU 75 HB2 LEU 75 -2.867 -16.177 15.897 576 2HB LEU 75 HB1 LEU 75 -3.967 -16.947 17.023 577 HG LEU 75 HG LEU 75 -5.111 -16.578 14.943 578 1HD1 LEU 75 3HD1 LEU 75 -6.318 -16.199 17.118 579 2HD1 LEU 75 2HD1 LEU 75 -6.106 -14.470 16.845 580 3HD1 LEU 75 1HD1 LEU 75 -7.040 -15.435 15.702 581 1HD2 LEU 75 1HD2 LEU 75 -4.236 -13.713 15.258 582 2HD2 LEU 75 3HD2 LEU 75 -3.817 -14.834 13.963 583 3HD2 LEU 75 2HD2 LEU 75 -5.471 -14.243 14.116 584 H LYS 76 HN LYS 76 -2.334 -16.412 19.247 585 HA LYS 76 HA LYS 76 -4.587 -16.981 20.903 586 1HB LYS 76 HB2 LYS 76 -1.645 -17.533 21.069 587 2HB LYS 76 HB1 LYS 76 -2.658 -17.801 22.481 588 1HG LYS 76 HG2 LYS 76 -2.613 -19.879 21.478 589 2HG LYS 76 HG1 LYS 76 -4.127 -19.198 20.882 590 1HD LYS 76 HD2 LYS 76 -3.093 -20.154 18.996 591 2HD LYS 76 HD1 LYS 76 -2.800 -18.421 18.854 592 1HE LYS 76 HE2 LYS 76 -0.684 -19.121 18.459 593 2HE LYS 76 HE1 LYS 76 -0.606 -19.117 20.220 594 1HZ LYS 76 HZ3 LYS 76 -1.229 -21.487 18.541 595 2HZ LYS 76 HZ2 LYS 76 0.265 -21.171 19.268 596 3HZ LYS 76 HZ1 LYS 76 -1.095 -21.471 20.228 597 H GLY 77 HN GLY 77 -1.907 -14.686 21.060 598 1HA GLY 77 HA1 GLY 77 -1.361 -13.125 22.701 599 2HA GLY 77 HA2 GLY 77 -2.659 -13.756 23.703 600 H GLU 78 HN GLU 78 -4.926 -13.319 22.714 601 HA GLU 78 HA GLU 78 -6.547 -11.824 22.180 602 1HB GLU 78 HB2 GLU 78 -4.947 -10.568 23.937 603 2HB GLU 78 HB1 GLU 78 -4.781 -9.473 22.572 604 1HG GLU 78 HG2 GLU 78 -7.543 -10.221 23.102 605 2HG GLU 78 HG1 GLU 78 -6.766 -9.419 24.466 606 H GLU 79 HN GLU 79 -4.685 -12.712 20.043 607 HA GLU 79 HA GLU 79 -4.173 -12.297 17.871 608 1HB GLU 79 HB2 GLU 79 -6.711 -12.190 17.926 609 2HB GLU 79 HB1 GLU 79 -6.552 -10.439 17.902 610 1HG GLU 79 HG2 GLU 79 -5.603 -10.451 15.751 611 2HG GLU 79 HG1 GLU 79 -5.304 -12.187 15.807 No H/Q in entry = 611 Start of MODEL 39 1 H1 THR 1 HT1 THR 1 13.109 9.395 24.375 2 H2 THR 1 HT3 THR 1 13.638 7.767 24.272 3 H3 THR 1 HT2 THR 1 12.768 8.471 22.970 4 HA THR 1 HA THR 1 10.838 8.682 24.323 5 HB THR 1 HB THR 1 12.025 5.898 24.422 6 HG1 THR 1 HG1 THR 1 12.104 6.171 22.345 7 1HG2 THR 1 2HG2 THR 1 9.163 6.802 24.226 8 2HG2 THR 1 1HG2 THR 1 9.723 5.141 24.044 9 3HG2 THR 1 3HG2 THR 1 9.917 5.972 25.587 10 H GLN 2 HN GLN 2 9.954 8.907 26.295 11 HA GLN 2 HA GLN 2 11.539 9.072 28.600 12 1HB GLN 2 HB2 GLN 2 9.566 9.593 29.782 13 2HB GLN 2 HB1 GLN 2 9.300 10.204 28.157 14 1HG GLN 2 HG2 GLN 2 8.271 7.543 29.112 15 2HG GLN 2 HG1 GLN 2 7.351 9.042 29.223 16 1HE2 GLN 2 1HE2 GLN 2 8.030 6.375 27.333 17 2HE2 GLN 2 2HE2 GLN 2 7.376 6.939 25.837 18 H GLN 3 HN GLN 3 11.966 7.706 30.271 19 HA GLN 3 HA GLN 3 12.232 5.779 31.425 20 1HB GLN 3 HB2 GLN 3 9.545 5.087 30.218 21 2HB GLN 3 HB1 GLN 3 10.340 4.166 31.486 22 1HG GLN 3 HG2 GLN 3 9.532 5.503 33.047 23 2HG GLN 3 HG1 GLN 3 10.191 6.926 32.240 24 1HE2 GLN 3 1HE2 GLN 3 8.674 8.395 31.958 25 2HE2 GLN 3 2HE2 GLN 3 7.039 8.095 31.486 26 HA PRO 4 HA PRO 4 13.868 3.892 27.451 27 1HB PRO 4 HB2 PRO 4 16.392 3.584 28.537 28 2HB PRO 4 HB1 PRO 4 15.877 4.966 27.565 29 1HG PRO 4 HG2 PRO 4 16.058 4.700 30.537 30 2HG PRO 4 HG1 PRO 4 16.485 6.078 29.505 31 1HD PRO 4 HD2 PRO 4 14.200 6.036 30.907 32 2HD PRO 4 HD1 PRO 4 14.277 6.758 29.286 33 H GLN 5 HN GLN 5 14.102 3.078 30.868 34 HA GLN 5 HA GLN 5 14.844 0.344 30.471 35 1HB GLN 5 HB2 GLN 5 13.563 1.643 32.887 36 2HB GLN 5 HB1 GLN 5 14.347 0.070 32.854 37 1HG GLN 5 HG2 GLN 5 15.643 2.757 32.480 38 2HG GLN 5 HG1 GLN 5 15.837 1.654 33.839 39 1HE2 GLN 5 1HE2 GLN 5 16.859 2.483 30.674 40 2HE2 GLN 5 2HE2 GLN 5 18.065 1.259 30.500 41 H GLN 6 HN GLN 6 11.800 2.075 30.902 42 HA GLN 6 HA GLN 6 10.139 -0.209 31.153 43 1HB GLN 6 HB2 GLN 6 9.267 1.861 31.924 44 2HB GLN 6 HB1 GLN 6 9.608 2.660 30.397 45 1HG GLN 6 HG2 GLN 6 7.780 0.391 30.166 46 2HG GLN 6 HG1 GLN 6 7.180 1.704 31.178 47 1HE2 GLN 6 1HE2 GLN 6 7.376 0.553 28.074 48 2HE2 GLN 6 2HE2 GLN 6 7.033 2.013 27.218 49 H ASP 7 HN ASP 7 10.904 1.903 28.379 50 HA ASP 7 HA ASP 7 9.409 0.351 26.514 51 1HB ASP 7 HB2 ASP 7 11.529 2.470 26.138 52 2HB ASP 7 HB1 ASP 7 10.675 1.710 24.799 53 H GLU 8 HN GLU 8 12.905 0.973 26.369 54 HA GLU 8 HA GLU 8 13.418 -1.460 24.975 55 1HB GLU 8 HB2 GLU 8 14.786 0.670 24.822 56 2HB GLU 8 HB1 GLU 8 15.455 0.261 26.396 57 1HG GLU 8 HG2 GLU 8 17.015 -0.458 24.780 58 2HG GLU 8 HG1 GLU 8 16.226 -1.905 25.401 59 H MET 9 HN MET 9 13.133 -3.360 25.964 60 HA MET 9 HA MET 9 13.390 -3.747 28.764 61 1HB MET 9 HB2 MET 9 12.929 -5.534 26.416 62 2HB MET 9 HB1 MET 9 13.388 -6.260 27.949 63 1HG MET 9 HG2 MET 9 11.050 -4.402 27.596 64 2HG MET 9 HG1 MET 9 10.941 -6.160 27.539 65 1HE MET 9 HE2 MET 9 10.856 -7.690 29.506 66 2HE MET 9 HE1 MET 9 12.576 -7.398 29.771 67 3HE MET 9 HE3 MET 9 11.448 -7.312 31.124 68 HA PRO 10 HA PRO 10 17.527 -5.980 27.789 69 1HB PRO 10 HB2 PRO 10 18.554 -5.899 25.301 70 2HB PRO 10 HB1 PRO 10 17.352 -7.103 25.779 71 1HG PRO 10 HG2 PRO 10 16.980 -4.558 24.249 72 2HG PRO 10 HG1 PRO 10 16.271 -6.156 23.954 73 1HD PRO 10 HD2 PRO 10 14.944 -4.126 25.207 74 2HD PRO 10 HD1 PRO 10 14.612 -5.844 25.503 75 H SER 11 HN SER 11 19.854 -5.290 27.194 76 HA SER 11 HA SER 11 20.176 -2.566 27.986 77 1HB SER 11 HB2 SER 11 22.007 -4.854 27.428 78 2HB SER 11 HB1 SER 11 22.688 -3.228 27.399 79 HG SER 11 HG SER 11 21.573 -4.660 29.530 80 HA PRO 12 HA PRO 12 21.967 -1.913 23.562 81 1HB PRO 12 HB2 PRO 12 21.669 -3.868 21.717 82 2HB PRO 12 HB1 PRO 12 23.050 -3.803 22.818 83 1HG PRO 12 HG2 PRO 12 20.562 -5.456 22.996 84 2HG PRO 12 HG1 PRO 12 22.242 -5.926 23.307 85 1HD PRO 12 HD2 PRO 12 20.484 -5.323 25.288 86 2HD PRO 12 HD1 PRO 12 22.231 -5.040 25.427 87 H THR 13 HN THR 13 20.699 -0.518 22.517 88 HA THR 13 HA THR 13 17.874 -0.882 22.342 89 HB THR 13 HB THR 13 18.021 1.257 20.938 90 HG1 THR 13 HG1 THR 13 20.016 1.454 20.222 91 1HG2 THR 13 1HG2 THR 13 19.216 1.295 23.698 92 2HG2 THR 13 3HG2 THR 13 18.586 2.694 22.828 93 3HG2 THR 13 2HG2 THR 13 17.502 1.385 23.295 94 H PHE 14 HN PHE 14 16.624 -1.540 20.682 95 HA PHE 14 HA PHE 14 18.011 -2.470 18.263 96 1HB PHE 14 HB2 PHE 14 15.322 -3.309 19.368 97 2HB PHE 14 HB1 PHE 14 16.103 -3.983 17.940 98 HD1 PHE 14 HD1 PHE 14 18.906 -4.182 18.959 99 HD2 PHE 14 HD2 PHE 14 15.185 -5.160 20.778 100 HE1 PHE 14 HE1 PHE 14 20.038 -5.849 20.369 101 HE2 PHE 14 HE2 PHE 14 16.312 -6.829 22.191 102 HZ PHE 14 HZ PHE 14 18.741 -7.174 21.989 103 H LEU 15 HN LEU 15 14.984 -0.891 19.293 104 HA LEU 15 HA LEU 15 14.077 -0.231 16.712 105 1HB LEU 15 HB2 LEU 15 13.107 0.035 19.285 106 2HB LEU 15 HB1 LEU 15 13.347 1.697 18.784 107 HG LEU 15 HG LEU 15 11.069 1.007 18.331 108 1HD1 LEU 15 2HD1 LEU 15 12.274 2.547 16.762 109 2HD1 LEU 15 1HD1 LEU 15 12.540 1.156 15.711 110 3HD1 LEU 15 3HD1 LEU 15 10.897 1.694 16.064 111 1HD2 LEU 15 1HD2 LEU 15 11.596 -1.424 18.103 112 2HD2 LEU 15 3HD2 LEU 15 10.499 -0.795 16.874 113 3HD2 LEU 15 2HD2 LEU 15 12.193 -1.085 16.479 114 H THR 16 HN THR 16 16.058 1.577 19.034 115 HA THR 16 HA THR 16 16.209 4.008 17.679 116 HB THR 16 HB THR 16 18.357 2.733 19.382 117 HG1 THR 16 HG1 THR 16 16.758 2.850 20.772 118 1HG2 THR 16 2HG2 THR 16 17.836 5.590 18.625 119 2HG2 THR 16 1HG2 THR 16 18.802 5.125 20.025 120 3HG2 THR 16 3HG2 THR 16 19.312 4.649 18.406 121 H GLN 17 HN GLN 17 17.757 0.986 16.936 122 HA GLN 17 HA GLN 17 19.992 1.906 15.510 123 1HB GLN 17 HB2 GLN 17 18.385 -0.612 15.052 124 2HB GLN 17 HB1 GLN 17 20.007 -0.309 14.445 125 1HG GLN 17 HG2 GLN 17 20.798 -0.127 16.783 126 2HG GLN 17 HG1 GLN 17 19.180 -0.566 17.327 127 1HE2 GLN 17 1HE2 GLN 17 18.346 -2.633 16.173 128 2HE2 GLN 17 2HE2 GLN 17 19.464 -3.950 16.139 129 H VAL 18 HN VAL 18 16.643 1.440 14.502 130 HA VAL 18 HA VAL 18 16.500 1.363 11.874 131 HB VAL 18 HB VAL 18 14.654 3.036 11.856 132 1HG1 VAL 18 3HG1 VAL 18 14.733 0.876 13.940 133 2HG1 VAL 18 2HG1 VAL 18 13.266 1.789 13.589 134 3HG1 VAL 18 1HG1 VAL 18 14.028 0.825 12.324 135 1HG2 VAL 18 1HG2 VAL 18 15.773 3.627 14.545 136 2HG2 VAL 18 3HG2 VAL 18 15.062 4.711 13.350 137 3HG2 VAL 18 2HG2 VAL 18 14.023 3.690 14.342 138 H LYS 19 HN LYS 19 17.448 4.399 13.501 139 HA LYS 19 HA LYS 19 17.631 6.061 11.311 140 1HB LYS 19 HB2 LYS 19 19.142 5.953 13.897 141 2HB LYS 19 HB1 LYS 19 19.578 7.139 12.675 142 1HG LYS 19 HG2 LYS 19 17.987 8.468 13.435 143 2HG LYS 19 HG1 LYS 19 16.782 7.272 12.954 144 1HD LYS 19 HD2 LYS 19 17.844 6.293 15.336 145 2HD LYS 19 HD1 LYS 19 17.681 8.030 15.598 146 1HE LYS 19 HE2 LYS 19 15.429 7.953 15.571 147 2HE LYS 19 HE1 LYS 19 15.384 6.746 14.287 148 1HZ LYS 19 HZ2 LYS 19 16.062 5.089 16.002 149 2HZ LYS 19 HZ1 LYS 19 15.826 6.277 17.182 150 3HZ LYS 19 HZ3 LYS 19 14.524 5.749 16.239 151 H GLU 20 HN GLU 20 20.323 4.155 12.683 152 HA GLU 20 HA GLU 20 22.142 4.767 10.619 153 1HB GLU 20 HB2 GLU 20 22.146 2.328 12.402 154 2HB GLU 20 HB1 GLU 20 23.518 2.971 11.511 155 1HG GLU 20 HG2 GLU 20 22.163 4.085 13.936 156 2HG GLU 20 HG1 GLU 20 23.861 3.678 13.701 157 H SER 21 HN SER 21 19.609 2.417 10.867 158 HA SER 21 HA SER 21 20.464 0.587 8.901 159 1HB SER 21 HB2 SER 21 18.488 0.433 10.605 160 2HB SER 21 HB1 SER 21 17.556 1.208 9.323 161 HG SER 21 HG SER 21 17.339 -0.897 8.879 162 H LEU 22 HN LEU 22 18.358 3.446 8.685 163 HA LEU 22 HA LEU 22 17.977 3.251 5.867 164 1HB LEU 22 HB2 LEU 22 17.413 5.321 7.948 165 2HB LEU 22 HB1 LEU 22 17.327 5.771 6.256 166 HG LEU 22 HG LEU 22 15.753 3.680 6.075 167 1HD1 LEU 22 3HD1 LEU 22 15.584 4.379 9.001 168 2HD1 LEU 22 2HD1 LEU 22 14.399 3.405 8.131 169 3HD1 LEU 22 1HD1 LEU 22 16.057 2.831 8.303 170 1HD2 LEU 22 1HD2 LEU 22 15.094 5.986 5.625 171 2HD2 LEU 22 3HD2 LEU 22 13.832 5.125 6.506 172 3HD2 LEU 22 2HD2 LEU 22 14.875 6.267 7.352 173 H SER 23 HN SER 23 20.249 4.996 7.937 174 HA SER 23 HA SER 23 21.366 6.692 6.015 175 1HB SER 23 HB2 SER 23 22.708 5.434 8.421 176 2HB SER 23 HB1 SER 23 23.330 6.812 7.514 177 HG SER 23 HG SER 23 21.547 6.794 9.501 178 H SER 24 HN SER 24 22.513 3.498 7.106 179 HA SER 24 HA SER 24 24.601 3.287 5.216 180 1HB SER 24 HB2 SER 24 23.085 1.096 6.658 181 2HB SER 24 HB1 SER 24 24.609 0.883 5.798 182 HG SER 24 HG SER 24 24.098 2.078 8.253 183 H TYR 25 HN TYR 25 21.201 2.969 4.880 184 HA TYR 25 HA TYR 25 21.264 1.208 2.603 185 1HB TYR 25 HB2 TYR 25 19.318 1.387 4.192 186 2HB TYR 25 HB1 TYR 25 18.991 2.980 3.517 187 HD1 TYR 25 HD1 TYR 25 18.949 -0.633 2.857 188 HD2 TYR 25 HD2 TYR 25 18.019 3.224 1.319 189 HE1 TYR 25 HE1 TYR 25 17.609 -1.672 1.077 190 HE2 TYR 25 HE2 TYR 25 16.676 2.195 -0.464 191 HH TYR 25 HH TYR 25 15.410 -0.508 -0.490 192 H TRP 26 HN TRP 26 20.885 4.693 3.153 193 HA TRP 26 HA TRP 26 20.419 5.421 0.472 194 1HB TRP 26 HB2 TRP 26 20.413 6.758 2.853 195 2HB TRP 26 HB1 TRP 26 21.879 7.387 2.107 196 HD1 TRP 26 HD1 TRP 26 21.449 9.515 0.767 197 HE1 TRP 26 HE1 TRP 26 19.478 10.506 -0.557 198 HE3 TRP 26 HE3 TRP 26 18.074 5.723 1.378 199 HZ2 TRP 26 HZ2 TRP 26 16.839 9.776 -1.251 200 HZ3 TRP 26 HZ3 TRP 26 15.850 5.949 0.352 201 HH2 TRP 26 HH2 TRP 26 15.246 7.934 -0.935 202 H GLU 27 HN GLU 27 23.375 4.959 2.311 203 HA GLU 27 HA GLU 27 25.337 6.103 0.843 204 1HB GLU 27 HB2 GLU 27 25.152 3.700 2.514 205 2HB GLU 27 HB1 GLU 27 26.450 3.631 1.329 206 1HG GLU 27 HG2 GLU 27 27.428 4.532 3.245 207 2HG GLU 27 HG1 GLU 27 27.150 5.915 2.187 208 H SER 28 HN SER 28 24.123 2.812 0.221 209 HA SER 28 HA SER 28 25.279 2.879 -2.456 210 1HB SER 28 HB2 SER 28 25.409 0.885 -0.792 211 2HB SER 28 HB1 SER 28 23.760 0.550 -1.318 212 HG SER 28 HG SER 28 26.157 0.415 -2.756 213 H ALA 29 HN ALA 29 22.366 3.761 -1.054 214 HA ALA 29 HA ALA 29 20.447 2.719 -2.822 215 1HB ALA 29 HB2 ALA 29 19.813 3.805 -0.747 216 2HB ALA 29 HB3 ALA 29 19.019 4.585 -2.114 217 3HB ALA 29 HB1 ALA 29 20.412 5.349 -1.349 218 H LYS 30 HN LYS 30 22.575 5.525 -3.111 219 HA LYS 30 HA LYS 30 21.391 6.837 -5.239 220 1HB LYS 30 HB2 LYS 30 23.652 7.238 -3.818 221 2HB LYS 30 HB1 LYS 30 24.347 6.653 -5.324 222 1HG LYS 30 HG2 LYS 30 24.310 8.945 -5.616 223 2HG LYS 30 HG1 LYS 30 22.846 8.419 -6.448 224 1HD LYS 30 HD2 LYS 30 21.979 10.138 -5.221 225 2HD LYS 30 HD1 LYS 30 21.780 8.827 -4.057 226 1HE LYS 30 HE2 LYS 30 24.314 10.405 -4.066 227 2HE LYS 30 HE1 LYS 30 22.868 11.105 -3.341 228 1HZ LYS 30 HZ3 LYS 30 22.746 8.880 -2.087 229 2HZ LYS 30 HZ2 LYS 30 24.373 8.708 -2.514 230 3HZ LYS 30 HZ1 LYS 30 23.880 10.030 -1.582 231 H THR 31 HN THR 31 23.820 4.240 -5.414 232 HA THR 31 HA THR 31 24.102 4.003 -8.142 233 HB THR 31 HB THR 31 23.879 1.597 -6.332 234 HG1 THR 31 HG1 THR 31 25.364 2.515 -5.177 235 1HG2 THR 31 3HG2 THR 31 25.650 2.189 -8.692 236 2HG2 THR 31 2HG2 THR 31 25.748 0.751 -7.675 237 3HG2 THR 31 1HG2 THR 31 24.303 1.052 -8.641 238 H ALA 32 HN ALA 32 21.536 2.816 -6.050 239 HA ALA 32 HA ALA 32 20.146 1.280 -7.965 240 1HB ALA 32 HB1 ALA 32 18.663 2.715 -5.811 241 2HB ALA 32 HB3 ALA 32 18.481 1.061 -6.396 242 3HB ALA 32 HB2 ALA 32 19.847 1.486 -5.365 243 H ALA 33 HN ALA 33 19.897 4.704 -7.016 244 HA ALA 33 HA ALA 33 17.687 5.479 -8.464 245 1HB ALA 33 HB1 ALA 33 19.130 6.884 -6.903 246 2HB ALA 33 HB3 ALA 33 20.147 7.195 -8.311 247 3HB ALA 33 HB2 ALA 33 18.456 7.695 -8.316 248 H GLN 34 HN GLN 34 21.050 5.528 -9.642 249 HA GLN 34 HA GLN 34 20.356 6.211 -12.297 250 1HB GLN 34 HB2 GLN 34 22.811 4.840 -11.182 251 2HB GLN 34 HB1 GLN 34 22.657 5.364 -12.854 252 1HG GLN 34 HG2 GLN 34 23.384 7.369 -12.290 253 2HG GLN 34 HG1 GLN 34 22.004 7.571 -11.214 254 1HE2 GLN 34 1HE2 GLN 34 22.365 7.685 -9.088 255 2HE2 GLN 34 2HE2 GLN 34 23.874 7.354 -8.315 256 H ASN 35 HN ASN 35 20.755 3.160 -10.593 257 HA ASN 35 HA ASN 35 20.615 1.443 -12.826 258 1HB ASN 35 HB2 ASN 35 21.207 0.939 -10.320 259 2HB ASN 35 HB1 ASN 35 19.479 0.637 -10.170 260 1HD2 ASN 35 1HD2 ASN 35 22.406 -0.327 -11.864 261 2HD2 ASN 35 2HD2 ASN 35 21.869 -1.920 -12.260 262 H LEU 36 HN LEU 36 18.182 3.177 -11.092 263 HA LEU 36 HA LEU 36 15.883 1.740 -11.768 264 1HB LEU 36 HB2 LEU 36 16.264 3.926 -10.295 265 2HB LEU 36 HB1 LEU 36 15.820 4.729 -11.787 266 HG LEU 36 HG LEU 36 13.909 4.456 -10.266 267 1HD1 LEU 36 2HD1 LEU 36 13.728 4.410 -12.808 268 2HD1 LEU 36 1HD1 LEU 36 13.481 2.673 -12.642 269 3HD1 LEU 36 3HD1 LEU 36 12.355 3.800 -11.888 270 1HD2 LEU 36 2HD2 LEU 36 14.758 2.277 -9.305 271 2HD2 LEU 36 1HD2 LEU 36 13.032 2.345 -9.661 272 3HD2 LEU 36 3HD2 LEU 36 14.124 1.494 -10.754 273 H TYR 37 HN TYR 37 17.620 4.337 -13.380 274 HA TYR 37 HA TYR 37 16.024 4.439 -15.721 275 1HB TYR 37 HB2 TYR 37 18.682 5.476 -14.892 276 2HB TYR 37 HB1 TYR 37 18.419 5.305 -16.624 277 HD1 TYR 37 HD1 TYR 37 16.958 6.787 -17.803 278 HD2 TYR 37 HD2 TYR 37 17.241 6.996 -13.564 279 HE1 TYR 37 HE1 TYR 37 15.749 8.927 -17.836 280 HE2 TYR 37 HE2 TYR 37 16.031 9.137 -13.584 281 HH TYR 37 HH TYR 37 15.767 11.082 -15.799 282 H GLU 38 HN GLU 38 18.855 2.586 -14.755 283 HA GLU 38 HA GLU 38 19.534 1.442 -17.210 284 1HB GLU 38 HB2 GLU 38 21.006 1.284 -15.288 285 2HB GLU 38 HB1 GLU 38 19.829 0.307 -14.426 286 1HG GLU 38 HG2 GLU 38 20.855 -0.665 -17.044 287 2HG GLU 38 HG1 GLU 38 21.889 -0.783 -15.622 288 H LYS 39 HN LYS 39 17.610 -0.064 -14.630 289 HA LYS 39 HA LYS 39 16.854 -2.335 -16.060 290 1HB LYS 39 HB2 LYS 39 15.476 -0.930 -13.772 291 2HB LYS 39 HB1 LYS 39 15.016 -2.518 -14.371 292 1HG LYS 39 HG2 LYS 39 17.559 -3.047 -13.947 293 2HG LYS 39 HG1 LYS 39 17.415 -1.693 -12.824 294 1HD LYS 39 HD2 LYS 39 15.361 -2.897 -11.904 295 2HD LYS 39 HD1 LYS 39 15.919 -4.302 -12.815 296 1HE LYS 39 HE2 LYS 39 17.540 -2.825 -10.742 297 2HE LYS 39 HE1 LYS 39 16.654 -4.320 -10.452 298 1HZ LYS 39 HZ2 LYS 39 18.043 -5.276 -12.324 299 2HZ LYS 39 HZ1 LYS 39 19.021 -3.904 -12.180 300 3HZ LYS 39 HZ3 LYS 39 18.850 -4.964 -10.872 301 H THR 40 HN THR 40 15.844 0.869 -16.604 302 HA THR 40 HA THR 40 13.162 0.334 -17.424 303 HB THR 40 HB THR 40 14.981 2.623 -18.204 304 HG1 THR 40 HG1 THR 40 14.708 2.754 -16.044 305 1HG2 THR 40 2HG2 THR 40 12.000 2.324 -18.414 306 2HG2 THR 40 1HG2 THR 40 12.848 3.866 -18.516 307 3HG2 THR 40 3HG2 THR 40 13.152 2.614 -19.718 308 H TYR 41 HN TYR 41 16.204 0.761 -19.164 309 HA TYR 41 HA TYR 41 15.168 0.280 -21.752 310 1HB TYR 41 HB2 TYR 41 18.020 -0.288 -20.967 311 2HB TYR 41 HB1 TYR 41 17.401 0.277 -22.513 312 HD1 TYR 41 HD1 TYR 41 19.094 1.243 -19.625 313 HD2 TYR 41 HD2 TYR 41 16.133 2.636 -22.346 314 HE1 TYR 41 HE1 TYR 41 19.574 3.559 -18.954 315 HE2 TYR 41 HE2 TYR 41 16.606 4.955 -21.682 316 HH TYR 41 HH TYR 41 19.119 6.034 -20.419 317 H LEU 42 HN LEU 42 16.881 -1.855 -19.470 318 HA LEU 42 HA LEU 42 16.734 -4.146 -21.163 319 1HB LEU 42 HB2 LEU 42 17.496 -3.689 -18.302 320 2HB LEU 42 HB1 LEU 42 17.314 -5.321 -18.917 321 HG LEU 42 HG LEU 42 18.987 -4.626 -20.743 322 1HD1 LEU 42 1HD1 LEU 42 19.056 -2.278 -18.929 323 2HD1 LEU 42 3HD1 LEU 42 20.586 -2.855 -19.591 324 3HD1 LEU 42 2HD1 LEU 42 19.281 -2.370 -20.675 325 1HD2 LEU 42 1HD2 LEU 42 19.718 -4.976 -17.847 326 2HD2 LEU 42 3HD2 LEU 42 19.644 -6.203 -19.111 327 3HD2 LEU 42 2HD2 LEU 42 20.913 -4.977 -19.144 328 HA PRO 43 HA PRO 43 12.695 -5.566 -19.922 329 1HB PRO 43 HB2 PRO 43 12.594 -7.770 -21.406 330 2HB PRO 43 HB1 PRO 43 12.693 -6.178 -22.168 331 1HG PRO 43 HG2 PRO 43 14.815 -8.238 -21.805 332 2HG PRO 43 HG1 PRO 43 14.550 -7.124 -23.155 333 1HD PRO 43 HD2 PRO 43 16.367 -6.783 -21.024 334 2HD PRO 43 HD1 PRO 43 15.891 -5.557 -22.214 335 H ALA 44 HN ALA 44 14.854 -6.170 -18.033 336 HA ALA 44 HA ALA 44 14.938 -8.909 -17.355 337 1HB ALA 44 HB2 ALA 44 15.409 -6.526 -15.570 338 2HB ALA 44 HB1 ALA 44 15.927 -8.184 -15.263 339 3HB ALA 44 HB3 ALA 44 16.615 -7.282 -16.614 340 H VAL 45 HN VAL 45 12.464 -6.598 -16.915 341 HA VAL 45 HA VAL 45 11.226 -7.041 -14.571 342 HB VAL 45 HB VAL 45 9.811 -6.958 -17.241 343 1HG1 VAL 45 2HG1 VAL 45 8.834 -6.581 -14.424 344 2HG1 VAL 45 1HG1 VAL 45 7.974 -5.920 -15.815 345 3HG1 VAL 45 3HG1 VAL 45 8.209 -7.663 -15.670 346 1HG2 VAL 45 1HG2 VAL 45 10.851 -4.815 -15.414 347 2HG2 VAL 45 3HG2 VAL 45 11.115 -5.017 -17.146 348 3HG2 VAL 45 2HG2 VAL 45 9.538 -4.505 -16.550 349 H ASP 46 HN ASP 46 10.618 -9.093 -17.439 350 HA ASP 46 HA ASP 46 9.091 -10.994 -15.963 351 1HB ASP 46 HB2 ASP 46 8.912 -10.524 -18.447 352 2HB ASP 46 HB1 ASP 46 10.399 -11.447 -18.646 353 H GLU 47 HN GLU 47 12.491 -10.760 -16.865 354 HA GLU 47 HA GLU 47 13.171 -13.461 -16.279 355 1HB GLU 47 HB2 GLU 47 14.783 -10.928 -16.499 356 2HB GLU 47 HB1 GLU 47 15.531 -12.452 -16.041 357 1HG GLU 47 HG2 GLU 47 15.887 -12.527 -18.276 358 2HG GLU 47 HG1 GLU 47 14.307 -13.303 -18.219 359 H LYS 48 HN LYS 48 13.543 -10.471 -14.375 360 HA LYS 48 HA LYS 48 14.619 -11.634 -12.067 361 1HB LYS 48 HB2 LYS 48 12.954 -9.137 -12.407 362 2HB LYS 48 HB1 LYS 48 13.763 -9.576 -10.909 363 1HG LYS 48 HG2 LYS 48 15.509 -9.575 -13.259 364 2HG LYS 48 HG1 LYS 48 14.818 -8.001 -12.858 365 1HD LYS 48 HD2 LYS 48 15.655 -8.210 -10.572 366 2HD LYS 48 HD1 LYS 48 16.326 -9.796 -10.957 367 1HE LYS 48 HE2 LYS 48 17.914 -8.869 -12.443 368 2HE LYS 48 HE1 LYS 48 17.099 -7.305 -12.454 369 1HZ LYS 48 HZ2 LYS 48 18.476 -8.506 -10.112 370 2HZ LYS 48 HZ1 LYS 48 19.101 -7.277 -11.091 371 3HZ LYS 48 HZ3 LYS 48 17.723 -6.992 -10.149 372 H LEU 49 HN LEU 49 11.330 -11.516 -13.224 373 HA LEU 49 HA LEU 49 9.984 -11.983 -10.790 374 1HB LEU 49 HB2 LEU 49 9.330 -12.335 -13.677 375 2HB LEU 49 HB1 LEU 49 8.317 -13.154 -12.504 376 HG LEU 49 HG LEU 49 8.853 -10.206 -12.291 377 1HD1 LEU 49 3HD1 LEU 49 6.822 -11.606 -14.009 378 2HD1 LEU 49 2HD1 LEU 49 6.625 -9.943 -13.456 379 3HD1 LEU 49 1HD1 LEU 49 7.993 -10.375 -14.480 380 1HD2 LEU 49 3HD2 LEU 49 6.601 -11.981 -11.353 381 2HD2 LEU 49 2HD2 LEU 49 7.888 -11.313 -10.350 382 3HD2 LEU 49 1HD2 LEU 49 6.710 -10.239 -11.103 383 H ARG 50 HN ARG 50 10.709 -14.285 -13.420 384 HA ARG 50 HA ARG 50 10.199 -16.595 -11.879 385 1HB ARG 50 HB2 ARG 50 11.706 -16.103 -14.439 386 2HB ARG 50 HB1 ARG 50 11.665 -17.699 -13.705 387 1HG ARG 50 HG2 ARG 50 9.241 -16.116 -14.530 388 2HG ARG 50 HG1 ARG 50 9.981 -17.414 -15.469 389 1HD ARG 50 HD2 ARG 50 8.665 -18.838 -14.378 390 2HD ARG 50 HD1 ARG 50 9.607 -18.493 -12.929 391 HE ARG 50 HE ARG 50 7.477 -16.617 -13.439 392 1HH1 ARG 50 1HH1 ARG 50 8.355 -19.627 -11.876 393 2HH1 ARG 50 2HH1 ARG 50 7.051 -19.558 -10.740 394 1HH2 ARG 50 1HH2 ARG 50 5.761 -16.534 -11.941 395 2HH2 ARG 50 2HH2 ARG 50 5.578 -17.805 -10.779 396 H ASP 51 HN ASP 51 13.041 -14.594 -12.356 397 HA ASP 51 HA ASP 51 15.043 -16.286 -11.411 398 1HB ASP 51 HB2 ASP 51 15.560 -14.152 -12.457 399 2HB ASP 51 HB1 ASP 51 14.792 -13.283 -11.133 400 H LEU 52 HN LEU 52 13.278 -13.807 -9.543 401 HA LEU 52 HA LEU 52 14.283 -14.656 -7.034 402 1HB LEU 52 HB2 LEU 52 12.151 -12.799 -7.961 403 2HB LEU 52 HB1 LEU 52 12.094 -13.334 -6.292 404 HG LEU 52 HG LEU 52 14.588 -12.562 -6.231 405 1HD1 LEU 52 1HD1 LEU 52 14.702 -12.175 -8.679 406 2HD1 LEU 52 3HD1 LEU 52 13.548 -10.855 -8.486 407 3HD1 LEU 52 2HD1 LEU 52 15.134 -10.761 -7.718 408 1HD2 LEU 52 1HD2 LEU 52 12.786 -11.558 -4.933 409 2HD2 LEU 52 3HD2 LEU 52 13.870 -10.320 -5.568 410 3HD2 LEU 52 2HD2 LEU 52 12.303 -10.595 -6.330 411 H TYR 53 HN TYR 53 11.673 -15.779 -9.020 412 HA TYR 53 HA TYR 53 10.078 -16.967 -6.997 413 1HB TYR 53 HB2 TYR 53 10.071 -16.811 -9.870 414 2HB TYR 53 HB1 TYR 53 9.797 -18.477 -9.375 415 HD1 TYR 53 HD1 TYR 53 8.354 -15.206 -9.711 416 HD2 TYR 53 HD2 TYR 53 7.906 -18.960 -7.759 417 HE1 TYR 53 HE1 TYR 53 6.002 -14.672 -9.238 418 HE2 TYR 53 HE2 TYR 53 5.551 -18.437 -7.283 419 HH TYR 53 HH TYR 53 4.250 -15.793 -7.112 420 H SER 54 HN SER 54 12.742 -18.178 -9.006 421 HA SER 54 HA SER 54 12.640 -20.867 -8.195 422 1HB SER 54 HB2 SER 54 13.994 -19.849 -10.117 423 2HB SER 54 HB1 SER 54 15.188 -19.404 -8.897 424 HG SER 54 HG SER 54 14.508 -21.906 -9.898 425 H LYS 55 HN LYS 55 14.593 -18.155 -6.953 426 HA LYS 55 HA LYS 55 15.859 -19.575 -4.879 427 1HB LYS 55 HB2 LYS 55 15.213 -16.632 -5.135 428 2HB LYS 55 HB1 LYS 55 16.239 -17.307 -3.877 429 1HG LYS 55 HG2 LYS 55 16.861 -17.792 -6.762 430 2HG LYS 55 HG1 LYS 55 17.326 -16.280 -5.979 431 1HD LYS 55 HD2 LYS 55 18.625 -17.478 -4.336 432 2HD LYS 55 HD1 LYS 55 18.065 -19.026 -4.971 433 1HE LYS 55 HE2 LYS 55 19.206 -18.619 -7.066 434 2HE LYS 55 HE1 LYS 55 19.683 -17.009 -6.526 435 1HZ LYS 55 HZ1 LYS 55 20.546 -19.570 -5.289 436 2HZ LYS 55 HZ3 LYS 55 21.490 -18.598 -6.301 437 3HZ LYS 55 HZ2 LYS 55 21.013 -18.025 -4.784 438 H SER 56 HN SER 56 12.852 -17.701 -4.965 439 HA SER 56 HA SER 56 12.238 -17.832 -2.227 440 1HB SER 56 HB2 SER 56 10.627 -17.347 -4.706 441 2HB SER 56 HB1 SER 56 9.810 -17.531 -3.155 442 HG SER 56 HG SER 56 10.673 -15.696 -2.457 443 H THR 57 HN THR 57 12.104 -20.358 -4.586 444 HA THR 57 HA THR 57 9.946 -21.861 -3.663 445 HB THR 57 HB THR 57 12.552 -22.932 -4.768 446 HG1 THR 57 HG1 THR 57 10.227 -21.992 -6.091 447 1HG2 THR 57 1HG2 THR 57 9.781 -24.102 -4.748 448 2HG2 THR 57 3HG2 THR 57 11.128 -24.722 -5.702 449 3HG2 THR 57 2HG2 THR 57 11.216 -24.737 -3.941 450 H ALA 58 HN ALA 58 13.392 -22.169 -2.762 451 HA ALA 58 HA ALA 58 12.684 -23.874 -0.515 452 1HB ALA 58 HB1 ALA 58 14.636 -24.447 -1.855 453 2HB ALA 58 HB3 ALA 58 15.382 -22.902 -1.448 454 3HB ALA 58 HB2 ALA 58 15.095 -24.102 -0.188 455 H ALA 59 HN ALA 59 14.111 -20.671 -1.068 456 HA ALA 59 HA ALA 59 14.648 -20.034 1.613 457 1HB ALA 59 HB3 ALA 59 14.811 -17.721 0.857 458 2HB ALA 59 HB1 ALA 59 14.044 -18.161 -0.670 459 3HB ALA 59 HB2 ALA 59 15.628 -18.818 -0.257 460 H MET 60 HN MET 60 11.935 -18.830 -0.390 461 HA MET 60 HA MET 60 10.571 -17.593 1.720 462 1HB MET 60 HB2 MET 60 10.275 -17.487 -0.912 463 2HB MET 60 HB1 MET 60 9.010 -18.661 -0.579 464 1HG MET 60 HG2 MET 60 7.995 -17.077 1.008 465 2HG MET 60 HG1 MET 60 9.231 -15.894 0.582 466 1HE MET 60 HE2 MET 60 7.141 -14.224 0.106 467 2HE MET 60 HE1 MET 60 5.873 -14.580 -1.068 468 3HE MET 60 HE3 MET 60 5.986 -15.520 0.420 469 H SER 61 HN SER 61 10.470 -20.940 0.614 470 HA SER 61 HA SER 61 8.064 -21.650 1.936 471 1HB SER 61 HB2 SER 61 8.713 -23.953 1.560 472 2HB SER 61 HB1 SER 61 9.107 -23.005 0.128 473 HG SER 61 HG SER 61 10.873 -24.257 0.579 474 H THR 62 HN THR 62 11.147 -20.911 3.181 475 HA THR 62 HA THR 62 10.740 -22.468 5.623 476 HB THR 62 HB THR 62 13.080 -20.686 4.919 477 HG1 THR 62 HG1 THR 62 12.723 -23.459 4.446 478 1HG2 THR 62 2HG2 THR 62 12.473 -22.432 7.175 479 2HG2 THR 62 1HG2 THR 62 14.045 -22.728 6.433 480 3HG2 THR 62 3HG2 THR 62 13.641 -21.119 7.030 481 H TYR 63 HN TYR 63 11.400 -19.108 4.641 482 HA TYR 63 HA TYR 63 10.912 -17.955 7.156 483 1HB TYR 63 HB2 TYR 63 10.747 -16.687 4.413 484 2HB TYR 63 HB1 TYR 63 10.836 -15.817 5.941 485 HD1 TYR 63 HD1 TYR 63 12.926 -16.697 7.460 486 HD2 TYR 63 HD2 TYR 63 12.706 -16.785 3.213 487 HE1 TYR 63 HE1 TYR 63 15.381 -16.735 7.340 488 HE2 TYR 63 HE2 TYR 63 15.159 -16.823 3.080 489 HH TYR 63 HH TYR 63 17.102 -17.712 5.161 490 H THR 64 HN THR 64 8.784 -19.130 4.697 491 HA THR 64 HA THR 64 6.561 -17.473 5.337 492 HB THR 64 HB THR 64 6.881 -20.046 3.829 493 HG1 THR 64 HG1 THR 64 5.898 -17.469 3.167 494 1HG2 THR 64 2HG2 THR 64 4.267 -18.838 4.669 495 2HG2 THR 64 1HG2 THR 64 4.435 -19.834 3.223 496 3HG2 THR 64 3HG2 THR 64 4.801 -20.514 4.807 497 H GLY 65 HN GLY 65 7.270 -20.868 6.130 498 1HA GLY 65 HA1 GLY 65 6.597 -22.163 7.909 499 2HA GLY 65 HA2 GLY 65 5.175 -21.128 8.016 500 H ILE 66 HN ILE 66 8.556 -20.147 8.269 501 HA ILE 66 HA ILE 66 8.709 -20.038 11.092 502 HB ILE 66 HB ILE 66 10.299 -18.643 8.941 503 1HG1 ILE 66 2HG1 ILE 66 11.185 -20.742 10.921 504 2HG1 ILE 66 1HG1 ILE 66 10.482 -21.155 9.361 505 1HG2 ILE 66 2HG2 ILE 66 10.535 -18.409 11.925 506 2HG2 ILE 66 1HG2 ILE 66 11.916 -18.149 10.860 507 3HG2 ILE 66 3HG2 ILE 66 10.487 -17.126 10.717 508 1HD1 ILE 66 1HD1 ILE 66 12.298 -19.845 8.278 509 2HD1 ILE 66 3HD1 ILE 66 13.033 -19.651 9.870 510 3HD1 ILE 66 2HD1 ILE 66 12.850 -21.261 9.173 511 H PHE 67 HN PHE 67 8.338 -17.398 8.717 512 HA PHE 67 HA PHE 67 7.909 -15.295 10.462 513 1HB PHE 67 HB2 PHE 67 8.179 -14.937 8.070 514 2HB PHE 67 HB1 PHE 67 6.647 -15.741 7.746 515 HD1 PHE 67 HD1 PHE 67 4.612 -14.565 7.842 516 HD2 PHE 67 HD2 PHE 67 8.178 -12.756 9.300 517 HE1 PHE 67 HE1 PHE 67 3.442 -12.408 8.017 518 HE2 PHE 67 HE2 PHE 67 7.014 -10.596 9.478 519 HZ PHE 67 HZ PHE 67 4.642 -10.421 8.837 520 H THR 68 HN THR 68 5.404 -17.321 8.939 521 HA THR 68 HA THR 68 3.241 -16.195 10.346 522 HB THR 68 HB THR 68 3.397 -18.964 9.149 523 HG1 THR 68 HG1 THR 68 3.694 -17.863 7.384 524 1HG2 THR 68 1HG2 THR 68 1.102 -17.197 9.899 525 2HG2 THR 68 3HG2 THR 68 0.950 -18.422 8.639 526 3HG2 THR 68 2HG2 THR 68 1.373 -18.897 10.285 527 H ASP 69 HN ASP 69 5.603 -18.517 11.272 528 HA ASP 69 HA ASP 69 4.216 -19.989 13.206 529 1HB ASP 69 HB2 ASP 69 6.673 -20.225 12.327 530 2HB ASP 69 HB1 ASP 69 7.063 -19.162 13.675 531 H GLN 70 HN GLN 70 6.220 -17.075 13.691 532 HA GLN 70 HA GLN 70 5.419 -16.721 16.397 533 1HB GLN 70 HB2 GLN 70 6.670 -14.729 14.495 534 2HB GLN 70 HB1 GLN 70 6.555 -14.545 16.239 535 1HG GLN 70 HG2 GLN 70 8.174 -16.566 14.713 536 2HG GLN 70 HG1 GLN 70 8.767 -15.239 15.709 537 1HE2 GLN 70 1HE2 GLN 70 7.697 -18.484 15.646 538 2HE2 GLN 70 2HE2 GLN 70 7.851 -18.809 17.336 539 H VAL 71 HN VAL 71 4.037 -15.765 13.372 540 HA VAL 71 HA VAL 71 2.465 -13.585 14.298 541 HB VAL 71 HB VAL 71 2.047 -15.420 11.922 542 1HG1 VAL 71 3HG1 VAL 71 0.613 -12.911 12.757 543 2HG1 VAL 71 2HG1 VAL 71 0.608 -13.503 11.096 544 3HG1 VAL 71 1HG1 VAL 71 -0.073 -14.494 12.386 545 1HG2 VAL 71 3HG2 VAL 71 4.074 -13.699 12.237 546 2HG2 VAL 71 2HG2 VAL 71 3.322 -14.021 10.675 547 3HG2 VAL 71 1HG2 VAL 71 2.858 -12.593 11.599 548 H LEU 72 HN LEU 72 1.707 -16.979 13.586 549 HA LEU 72 HA LEU 72 -0.903 -17.017 14.600 550 1HB LEU 72 HB2 LEU 72 1.135 -19.005 13.863 551 2HB LEU 72 HB1 LEU 72 0.041 -19.548 15.120 552 HG LEU 72 HG LEU 72 -0.683 -20.216 12.856 553 1HD1 LEU 72 2HD1 LEU 72 -2.300 -19.892 14.697 554 2HD1 LEU 72 1HD1 LEU 72 -2.562 -18.240 14.137 555 3HD1 LEU 72 3HD1 LEU 72 -2.994 -19.602 13.102 556 1HD2 LEU 72 3HD2 LEU 72 0.206 -18.011 11.852 557 2HD2 LEU 72 2HD2 LEU 72 -1.269 -18.711 11.188 558 3HD2 LEU 72 1HD2 LEU 72 -1.365 -17.353 12.308 559 H SER 73 HN SER 73 2.252 -17.344 16.112 560 HA SER 73 HA SER 73 1.443 -18.232 18.643 561 1HB SER 73 HB2 SER 73 3.843 -17.903 17.650 562 2HB SER 73 HB1 SER 73 3.710 -16.286 18.340 563 HG SER 73 HG SER 73 3.946 -18.750 19.599 564 H VAL 74 HN VAL 74 1.609 -14.995 17.276 565 HA VAL 74 HA VAL 74 0.921 -13.643 19.699 566 HB VAL 74 HB VAL 74 0.623 -12.661 16.852 567 1HG1 VAL 74 3HG1 VAL 74 0.480 -11.300 19.520 568 2HG1 VAL 74 2HG1 VAL 74 0.946 -10.413 18.069 569 3HG1 VAL 74 1HG1 VAL 74 -0.632 -11.195 18.155 570 1HG2 VAL 74 1HG2 VAL 74 2.968 -13.199 18.402 571 2HG2 VAL 74 3HG2 VAL 74 2.840 -12.576 16.757 572 3HG2 VAL 74 2HG2 VAL 74 2.832 -11.462 18.124 573 H LEU 75 HN LEU 75 -0.885 -15.460 17.421 574 HA LEU 75 HA LEU 75 -3.380 -14.140 17.585 575 1HB LEU 75 HB2 LEU 75 -2.382 -16.322 16.209 576 2HB LEU 75 HB1 LEU 75 -3.553 -17.039 17.297 577 HG LEU 75 HG LEU 75 -4.557 -16.554 15.135 578 1HD1 LEU 75 2HD1 LEU 75 -5.955 -16.406 17.138 579 2HD1 LEU 75 1HD1 LEU 75 -5.574 -14.690 17.272 580 3HD1 LEU 75 3HD1 LEU 75 -6.486 -15.285 15.886 581 1HD2 LEU 75 3HD2 LEU 75 -3.051 -14.655 14.572 582 2HD2 LEU 75 2HD2 LEU 75 -4.756 -14.335 14.258 583 3HD2 LEU 75 1HD2 LEU 75 -3.978 -13.649 15.684 584 H LYS 76 HN LYS 76 -1.810 -16.575 19.524 585 HA LYS 76 HA LYS 76 -4.053 -17.169 21.185 586 1HB LYS 76 HB2 LYS 76 -1.091 -17.618 21.585 587 2HB LYS 76 HB1 LYS 76 -2.327 -18.209 22.687 588 1HG LYS 76 HG2 LYS 76 -2.280 -18.923 19.769 589 2HG LYS 76 HG1 LYS 76 -1.434 -19.860 21.001 590 1HD LYS 76 HD2 LYS 76 -4.342 -19.220 21.322 591 2HD LYS 76 HD1 LYS 76 -3.836 -20.555 20.285 592 1HE LYS 76 HE2 LYS 76 -2.758 -21.657 22.107 593 2HE LYS 76 HE1 LYS 76 -2.967 -20.253 23.154 594 1HZ LYS 76 HZ3 LYS 76 -5.157 -21.941 22.065 595 2HZ LYS 76 HZ2 LYS 76 -4.579 -21.979 23.654 596 3HZ LYS 76 HZ1 LYS 76 -5.358 -20.595 23.073 597 H GLY 77 HN GLY 77 -1.133 -15.167 21.664 598 1HA GLY 77 HA1 GLY 77 -0.650 -13.800 23.524 599 2HA GLY 77 HA2 GLY 77 -2.285 -14.055 24.113 600 H GLU 78 HN GLU 78 -3.933 -13.236 22.236 601 HA GLU 78 HA GLU 78 -3.753 -10.418 22.300 602 1HB GLU 78 HB2 GLU 78 -2.078 -10.913 20.493 603 2HB GLU 78 HB1 GLU 78 -3.384 -11.610 19.546 604 1HG GLU 78 HG2 GLU 78 -4.534 -9.338 19.817 605 2HG GLU 78 HG1 GLU 78 -2.951 -8.753 20.327 606 H GLU 79 HN GLU 79 -5.040 -13.003 20.194 607 HA GLU 79 HA GLU 79 -7.683 -11.740 20.321 608 1HB GLU 79 HB2 GLU 79 -6.903 -14.077 18.583 609 2HB GLU 79 HB1 GLU 79 -8.273 -12.993 18.389 610 1HG GLU 79 HG2 GLU 79 -5.396 -12.151 18.111 611 2HG GLU 79 HG1 GLU 79 -6.431 -12.625 16.766 No H/Q in entry = 611 Start of MODEL 40 1 H1 THR 1 HT1 THR 1 -5.882 -6.809 40.715 2 H2 THR 1 HT3 THR 1 -4.557 -7.093 41.765 3 H3 THR 1 HT2 THR 1 -6.160 -7.140 42.375 4 HA THR 1 HA THR 1 -6.457 -4.876 42.105 5 HB THR 1 HB THR 1 -4.421 -4.001 43.396 6 HG1 THR 1 HG1 THR 1 -2.734 -5.221 43.252 7 1HG2 THR 1 3HG2 THR 1 -6.440 -4.913 44.509 8 2HG2 THR 1 2HG2 THR 1 -5.657 -6.493 44.531 9 3HG2 THR 1 1HG2 THR 1 -4.947 -5.145 45.418 10 H GLN 2 HN GLN 2 -3.149 -5.644 40.970 11 HA GLN 2 HA GLN 2 -3.068 -3.180 39.436 12 1HB GLN 2 HB2 GLN 2 -1.126 -4.439 40.759 13 2HB GLN 2 HB1 GLN 2 -0.922 -5.235 39.206 14 1HG GLN 2 HG2 GLN 2 -0.889 -2.255 39.628 15 2HG GLN 2 HG1 GLN 2 0.543 -3.277 39.507 16 1HE2 GLN 2 1HE2 GLN 2 -1.421 -1.254 37.826 17 2HE2 GLN 2 2HE2 GLN 2 -1.103 -1.805 36.220 18 H GLN 3 HN GLN 3 -3.630 -3.015 37.369 19 HA GLN 3 HA GLN 3 -4.040 -5.477 35.822 20 1HB GLN 3 HB2 GLN 3 -5.881 -3.659 36.234 21 2HB GLN 3 HB1 GLN 3 -5.043 -2.788 34.958 22 1HG GLN 3 HG2 GLN 3 -6.038 -5.605 34.637 23 2HG GLN 3 HG1 GLN 3 -7.012 -4.188 34.252 24 1HE2 GLN 3 1HE2 GLN 3 -5.746 -6.441 32.645 25 2HE2 GLN 3 2HE2 GLN 3 -4.942 -5.624 31.353 26 HA PRO 4 HA PRO 4 -0.408 -4.370 33.475 27 1HB PRO 4 HB2 PRO 4 -0.700 -6.228 31.505 28 2HB PRO 4 HB1 PRO 4 -0.094 -6.618 33.120 29 1HG PRO 4 HG2 PRO 4 -2.849 -6.959 31.997 30 2HG PRO 4 HG1 PRO 4 -1.902 -8.076 32.998 31 1HD PRO 4 HD2 PRO 4 -3.854 -6.520 34.028 32 2HD PRO 4 HD1 PRO 4 -2.400 -6.948 34.950 33 H GLN 5 HN GLN 5 -1.414 -2.301 32.924 34 HA GLN 5 HA GLN 5 -3.109 -2.045 30.642 35 1HB GLN 5 HB2 GLN 5 -1.954 -0.299 32.644 36 2HB GLN 5 HB1 GLN 5 -1.837 0.419 31.044 37 1HG GLN 5 HG2 GLN 5 -3.870 1.201 31.738 38 2HG GLN 5 HG1 GLN 5 -4.346 -0.251 30.860 39 1HE2 GLN 5 1HE2 GLN 5 -6.224 -0.623 31.964 40 2HE2 GLN 5 2HE2 GLN 5 -6.277 -1.070 33.632 41 H GLN 6 HN GLN 6 -2.635 -1.602 28.549 42 HA GLN 6 HA GLN 6 -0.077 -2.292 27.534 43 1HB GLN 6 HB2 GLN 6 -2.466 -1.014 26.195 44 2HB GLN 6 HB1 GLN 6 -1.034 -1.569 25.337 45 1HG GLN 6 HG2 GLN 6 -2.719 -3.370 27.055 46 2HG GLN 6 HG1 GLN 6 -3.006 -3.128 25.333 47 1HE2 GLN 6 1HE2 GLN 6 -1.593 -4.010 23.842 48 2HE2 GLN 6 2HE2 GLN 6 -0.385 -5.169 24.274 49 H ASP 7 HN ASP 7 1.119 -0.633 28.912 50 HA ASP 7 HA ASP 7 0.945 2.128 28.242 51 1HB ASP 7 HB2 ASP 7 2.948 0.474 29.764 52 2HB ASP 7 HB1 ASP 7 3.233 2.181 29.438 53 H GLU 8 HN GLU 8 2.327 3.405 27.008 54 HA GLU 8 HA GLU 8 3.343 2.191 24.644 55 1HB GLU 8 HB2 GLU 8 2.369 4.476 24.723 56 2HB GLU 8 HB1 GLU 8 3.767 5.014 25.644 57 1HG GLU 8 HG2 GLU 8 4.467 3.670 23.151 58 2HG GLU 8 HG1 GLU 8 3.497 5.125 22.924 59 H MET 9 HN MET 9 5.088 0.910 24.798 60 HA MET 9 HA MET 9 7.218 1.313 26.632 61 1HB MET 9 HB2 MET 9 6.471 -0.873 25.498 62 2HB MET 9 HB1 MET 9 7.420 -0.334 24.120 63 1HG MET 9 HG2 MET 9 9.311 -0.062 25.897 64 2HG MET 9 HG1 MET 9 8.322 -1.188 26.825 65 1HE MET 9 HE3 MET 9 11.153 -0.795 24.692 66 2HE MET 9 HE2 MET 9 11.221 -2.139 23.552 67 3HE MET 9 HE1 MET 9 10.155 -0.769 23.238 68 HA PRO 10 HA PRO 10 9.430 4.538 24.479 69 1HB PRO 10 HB2 PRO 10 11.743 3.454 25.993 70 2HB PRO 10 HB1 PRO 10 11.103 5.099 25.940 71 1HG PRO 10 HG2 PRO 10 10.722 3.558 28.079 72 2HG PRO 10 HG1 PRO 10 9.449 4.649 27.500 73 1HD PRO 10 HD2 PRO 10 9.703 1.687 27.170 74 2HD PRO 10 HD1 PRO 10 8.258 2.666 27.493 75 H SER 11 HN SER 11 11.423 4.765 23.148 76 HA SER 11 HA SER 11 11.645 2.588 21.315 77 1HB SER 11 HB2 SER 11 11.774 4.987 20.639 78 2HB SER 11 HB1 SER 11 13.333 5.098 21.453 79 HG SER 11 HG SER 11 14.245 3.927 19.909 80 HA PRO 12 HA PRO 12 14.954 0.616 23.657 81 1HB PRO 12 HB2 PRO 12 15.059 -1.642 22.177 82 2HB PRO 12 HB1 PRO 12 13.777 -1.343 23.357 83 1HG PRO 12 HG2 PRO 12 13.733 -0.990 20.384 84 2HG PRO 12 HG1 PRO 12 12.506 -1.711 21.442 85 1HD PRO 12 HD2 PRO 12 12.336 0.832 20.509 86 2HD PRO 12 HD1 PRO 12 11.672 0.336 22.076 87 H THR 13 HN THR 13 16.894 -0.890 22.614 88 HA THR 13 HA THR 13 18.560 0.991 21.262 89 HB THR 13 HB THR 13 20.202 -0.932 21.220 90 HG1 THR 13 HG1 THR 13 19.056 -2.750 21.269 91 1HG2 THR 13 3HG2 THR 13 20.134 0.639 23.111 92 2HG2 THR 13 2HG2 THR 13 18.976 -0.418 23.917 93 3HG2 THR 13 1HG2 THR 13 20.610 -0.992 23.586 94 H PHE 14 HN PHE 14 16.660 -1.778 20.239 95 HA PHE 14 HA PHE 14 17.866 -2.074 17.677 96 1HB PHE 14 HB2 PHE 14 15.272 -3.021 18.876 97 2HB PHE 14 HB1 PHE 14 15.656 -3.307 17.181 98 HD1 PHE 14 HD1 PHE 14 16.600 -4.069 20.649 99 HD2 PHE 14 HD2 PHE 14 17.290 -4.925 16.538 100 HE1 PHE 14 HE1 PHE 14 17.885 -6.068 21.284 101 HE2 PHE 14 HE2 PHE 14 18.577 -6.926 17.166 102 HZ PHE 14 HZ PHE 14 18.875 -7.499 19.542 103 H LEU 15 HN LEU 15 14.925 -0.418 18.811 104 HA LEU 15 HA LEU 15 14.037 0.464 16.291 105 1HB LEU 15 HB2 LEU 15 13.435 1.069 19.101 106 2HB LEU 15 HB1 LEU 15 13.136 2.398 17.999 107 HG LEU 15 HG LEU 15 11.769 0.736 16.614 108 1HD1 LEU 15 1HD1 LEU 15 12.751 -1.231 17.926 109 2HD1 LEU 15 3HD1 LEU 15 11.597 -0.795 19.187 110 3HD1 LEU 15 2HD1 LEU 15 11.021 -1.250 17.583 111 1HD2 LEU 15 1HD2 LEU 15 10.800 2.535 17.976 112 2HD2 LEU 15 3HD2 LEU 15 9.790 1.090 17.974 113 3HD2 LEU 15 2HD2 LEU 15 10.795 1.462 19.375 114 H THR 16 HN THR 16 15.912 2.203 18.790 115 HA THR 16 HA THR 16 16.273 4.577 17.365 116 HB THR 16 HB THR 16 16.764 4.280 19.784 117 HG1 THR 16 HG1 THR 16 17.640 6.106 19.124 118 1HG2 THR 16 3HG2 THR 16 18.033 2.165 19.634 119 2HG2 THR 16 2HG2 THR 16 19.363 3.058 18.898 120 3HG2 THR 16 1HG2 THR 16 18.860 3.426 20.548 121 H GLN 17 HN GLN 17 18.063 1.543 17.229 122 HA GLN 17 HA GLN 17 20.293 2.441 15.772 123 1HB GLN 17 HB2 GLN 17 19.987 0.198 16.936 124 2HB GLN 17 HB1 GLN 17 19.065 -0.302 15.525 125 1HG GLN 17 HG2 GLN 17 21.208 0.501 14.240 126 2HG GLN 17 HG1 GLN 17 21.977 0.227 15.804 127 1HE2 GLN 17 1HE2 GLN 17 21.757 -1.909 16.752 128 2HE2 GLN 17 2HE2 GLN 17 21.622 -3.284 15.715 129 H VAL 18 HN VAL 18 17.213 1.052 14.683 130 HA VAL 18 HA VAL 18 17.331 0.665 12.079 131 HB VAL 18 HB VAL 18 15.220 2.400 13.362 132 1HG1 VAL 18 2HG1 VAL 18 15.331 1.038 10.688 133 2HG1 VAL 18 1HG1 VAL 18 13.802 1.431 11.472 134 3HG1 VAL 18 3HG1 VAL 18 14.935 2.717 11.057 135 1HG2 VAL 18 1HG2 VAL 18 15.644 -0.549 13.151 136 2HG2 VAL 18 3HG2 VAL 18 15.100 0.415 14.525 137 3HG2 VAL 18 2HG2 VAL 18 14.002 0.092 13.185 138 H LYS 19 HN LYS 19 17.223 3.984 13.388 139 HA LYS 19 HA LYS 19 17.093 5.415 11.040 140 1HB LYS 19 HB2 LYS 19 18.436 6.025 13.661 141 2HB LYS 19 HB1 LYS 19 18.451 7.181 12.336 142 1HG LYS 19 HG2 LYS 19 16.556 7.942 13.228 143 2HG LYS 19 HG1 LYS 19 15.805 6.530 12.480 144 1HD LYS 19 HD2 LYS 19 16.539 5.343 14.697 145 2HD LYS 19 HD1 LYS 19 16.573 6.990 15.330 146 1HE LYS 19 HE2 LYS 19 14.287 7.302 14.966 147 2HE LYS 19 HE1 LYS 19 14.190 5.954 13.835 148 1HZ LYS 19 HZ1 LYS 19 14.582 4.437 15.693 149 2HZ LYS 19 HZ3 LYS 19 14.618 5.745 16.767 150 3HZ LYS 19 HZ2 LYS 19 13.193 5.370 15.938 151 H GLU 20 HN GLU 20 20.045 4.253 12.656 152 HA GLU 20 HA GLU 20 21.853 5.323 10.776 153 1HB GLU 20 HB2 GLU 20 22.154 2.953 12.626 154 2HB GLU 20 HB1 GLU 20 23.473 3.685 11.724 155 1HG GLU 20 HG2 GLU 20 23.787 4.811 13.640 156 2HG GLU 20 HG1 GLU 20 22.531 5.859 12.981 157 H SER 21 HN SER 21 19.984 2.383 10.844 158 HA SER 21 HA SER 21 21.370 0.937 8.860 159 1HB SER 21 HB2 SER 21 19.733 -0.629 9.094 160 2HB SER 21 HB1 SER 21 19.312 0.332 10.510 161 HG SER 21 HG SER 21 17.618 1.175 9.456 162 H LEU 22 HN LEU 22 18.781 3.332 8.674 163 HA LEU 22 HA LEU 22 18.327 3.053 5.874 164 1HB LEU 22 HB2 LEU 22 17.673 5.272 7.812 165 2HB LEU 22 HB1 LEU 22 17.174 5.278 6.131 166 HG LEU 22 HG LEU 22 16.401 2.815 7.464 167 1HD1 LEU 22 1HD1 LEU 22 16.328 4.288 9.431 168 2HD1 LEU 22 3HD1 LEU 22 15.258 5.382 8.556 169 3HD1 LEU 22 2HD1 LEU 22 14.724 3.746 8.939 170 1HD2 LEU 22 1HD2 LEU 22 15.523 3.585 5.314 171 2HD2 LEU 22 3HD2 LEU 22 14.236 3.382 6.501 172 3HD2 LEU 22 2HD2 LEU 22 14.822 4.997 6.104 173 H SER 23 HN SER 23 20.383 5.152 7.848 174 HA SER 23 HA SER 23 21.194 6.935 5.849 175 1HB SER 23 HB2 SER 23 22.839 5.964 8.201 176 2HB SER 23 HB1 SER 23 23.097 7.452 7.290 177 HG SER 23 HG SER 23 21.223 6.863 9.238 178 H SER 24 HN SER 24 22.811 3.973 6.997 179 HA SER 24 HA SER 24 24.858 3.995 5.051 180 1HB SER 24 HB2 SER 24 23.701 1.679 6.623 181 2HB SER 24 HB1 SER 24 25.200 1.622 5.696 182 HG SER 24 HG SER 24 24.652 2.851 8.127 183 H TYR 25 HN TYR 25 21.528 3.187 4.830 184 HA TYR 25 HA TYR 25 21.771 1.365 2.616 185 1HB TYR 25 HB2 TYR 25 19.861 1.333 4.244 186 2HB TYR 25 HB1 TYR 25 19.311 2.855 3.553 187 HD1 TYR 25 HD1 TYR 25 19.666 -0.749 2.991 188 HD2 TYR 25 HD2 TYR 25 18.292 2.929 1.352 189 HE1 TYR 25 HE1 TYR 25 18.412 -1.987 1.279 190 HE2 TYR 25 HE2 TYR 25 17.033 1.701 -0.364 191 HH TYR 25 HH TYR 25 17.496 -1.038 -1.381 192 H TRP 26 HN TRP 26 21.017 4.798 3.044 193 HA TRP 26 HA TRP 26 20.329 5.360 0.370 194 1HB TRP 26 HB2 TRP 26 20.953 6.901 2.791 195 2HB TRP 26 HB1 TRP 26 21.382 7.723 1.295 196 HD1 TRP 26 HD1 TRP 26 19.512 9.340 0.678 197 HE1 TRP 26 HE1 TRP 26 16.939 9.292 0.691 198 HE3 TRP 26 HE3 TRP 26 18.791 4.703 2.712 199 HZ2 TRP 26 HZ2 TRP 26 14.878 7.524 1.460 200 HZ3 TRP 26 HZ3 TRP 26 16.489 3.910 3.053 201 HH2 TRP 26 HH2 TRP 26 14.573 5.293 2.440 202 H GLU 27 HN GLU 27 23.415 5.375 2.068 203 HA GLU 27 HA GLU 27 25.144 6.618 0.398 204 1HB GLU 27 HB2 GLU 27 25.355 4.313 2.225 205 2HB GLU 27 HB1 GLU 27 26.622 4.407 1.008 206 1HG GLU 27 HG2 GLU 27 27.472 5.545 2.859 207 2HG GLU 27 HG1 GLU 27 26.949 6.811 1.750 208 H SER 28 HN SER 28 24.355 3.156 0.127 209 HA SER 28 HA SER 28 25.425 3.058 -2.566 210 1HB SER 28 HB2 SER 28 24.866 0.640 -2.433 211 2HB SER 28 HB1 SER 28 25.877 1.177 -1.092 212 HG SER 28 HG SER 28 24.375 0.388 0.136 213 H ALA 29 HN ALA 29 22.411 3.755 -1.139 214 HA ALA 29 HA ALA 29 20.612 2.578 -2.952 215 1HB ALA 29 HB3 ALA 29 19.895 3.579 -0.843 216 2HB ALA 29 HB2 ALA 29 20.300 5.180 -1.461 217 3HB ALA 29 HB1 ALA 29 19.002 4.248 -2.207 218 H LYS 30 HN LYS 30 22.552 5.504 -3.198 219 HA LYS 30 HA LYS 30 21.269 6.812 -5.271 220 1HB LYS 30 HB2 LYS 30 24.051 6.727 -4.260 221 2HB LYS 30 HB1 LYS 30 23.842 7.355 -5.888 222 1HG LYS 30 HG2 LYS 30 23.752 9.243 -4.540 223 2HG LYS 30 HG1 LYS 30 22.057 8.882 -4.869 224 1HD LYS 30 HD2 LYS 30 22.084 9.312 -2.580 225 2HD LYS 30 HD1 LYS 30 22.138 7.551 -2.663 226 1HE LYS 30 HE2 LYS 30 23.817 7.893 -1.163 227 2HE LYS 30 HE1 LYS 30 24.750 8.003 -2.656 228 1HZ LYS 30 HZ2 LYS 30 24.538 10.417 -2.554 229 2HZ LYS 30 HZ1 LYS 30 23.667 10.297 -1.109 230 3HZ LYS 30 HZ3 LYS 30 25.288 9.813 -1.163 231 H THR 31 HN THR 31 23.830 4.357 -5.566 232 HA THR 31 HA THR 31 24.053 4.202 -8.306 233 HB THR 31 HB THR 31 24.036 1.774 -6.507 234 HG1 THR 31 HG1 THR 31 26.092 3.691 -6.882 235 1HG2 THR 31 1HG2 THR 31 25.632 2.416 -8.975 236 2HG2 THR 31 3HG2 THR 31 25.835 0.985 -7.965 237 3HG2 THR 31 2HG2 THR 31 24.326 1.236 -8.844 238 H ALA 32 HN ALA 32 21.620 2.813 -6.182 239 HA ALA 32 HA ALA 32 20.272 1.241 -8.098 240 1HB ALA 32 HB2 ALA 32 18.770 2.533 -5.868 241 2HB ALA 32 HB1 ALA 32 18.666 0.887 -6.492 242 3HB ALA 32 HB3 ALA 32 20.035 1.365 -5.488 243 H ALA 33 HN ALA 33 19.839 4.618 -7.057 244 HA ALA 33 HA ALA 33 17.545 5.287 -8.425 245 1HB ALA 33 HB3 ALA 33 18.927 6.745 -6.868 246 2HB ALA 33 HB2 ALA 33 19.902 7.144 -8.283 247 3HB ALA 33 HB1 ALA 33 18.184 7.547 -8.252 248 H GLN 34 HN GLN 34 20.859 5.610 -9.699 249 HA GLN 34 HA GLN 34 20.028 6.297 -12.312 250 1HB GLN 34 HB2 GLN 34 22.360 6.564 -11.221 251 2HB GLN 34 HB1 GLN 34 22.622 4.894 -11.705 252 1HG GLN 34 HG2 GLN 34 21.869 5.775 -14.051 253 2HG GLN 34 HG1 GLN 34 22.343 7.337 -13.383 254 1HE2 GLN 34 1HE2 GLN 34 24.550 7.433 -12.438 255 2HE2 GLN 34 2HE2 GLN 34 25.802 6.544 -13.229 256 H ASN 35 HN ASN 35 20.700 3.241 -10.703 257 HA ASN 35 HA ASN 35 20.642 1.583 -12.981 258 1HB ASN 35 HB2 ASN 35 21.386 0.986 -10.591 259 2HB ASN 35 HB1 ASN 35 19.678 0.707 -10.264 260 1HD2 ASN 35 1HD2 ASN 35 22.319 -0.227 -12.421 261 2HD2 ASN 35 2HD2 ASN 35 21.752 -1.835 -12.703 262 H LEU 36 HN LEU 36 18.126 3.070 -11.143 263 HA LEU 36 HA LEU 36 15.919 1.503 -11.831 264 1HB LEU 36 HB2 LEU 36 16.077 3.533 -10.222 265 2HB LEU 36 HB1 LEU 36 15.798 4.507 -11.652 266 HG LEU 36 HG LEU 36 13.875 2.303 -11.151 267 1HD1 LEU 36 1HD1 LEU 36 14.242 3.259 -8.907 268 2HD1 LEU 36 3HD1 LEU 36 13.827 4.851 -9.543 269 3HD1 LEU 36 2HD1 LEU 36 12.619 3.565 -9.526 270 1HD2 LEU 36 3HD2 LEU 36 13.717 3.828 -13.088 271 2HD2 LEU 36 2HD2 LEU 36 12.304 3.908 -12.036 272 3HD2 LEU 36 1HD2 LEU 36 13.520 5.183 -11.974 273 H TYR 37 HN TYR 37 17.448 4.266 -13.373 274 HA TYR 37 HA TYR 37 15.792 4.369 -15.670 275 1HB TYR 37 HB2 TYR 37 18.512 5.438 -14.977 276 2HB TYR 37 HB1 TYR 37 17.960 5.498 -16.647 277 HD1 TYR 37 HD1 TYR 37 16.138 6.963 -17.306 278 HD2 TYR 37 HD2 TYR 37 17.450 6.797 -13.262 279 HE1 TYR 37 HE1 TYR 37 14.903 9.033 -16.827 280 HE2 TYR 37 HE2 TYR 37 16.218 8.868 -12.771 281 HH TYR 37 HH TYR 37 15.359 10.993 -14.675 282 H GLU 38 HN GLU 38 18.799 2.700 -14.871 283 HA GLU 38 HA GLU 38 19.434 1.669 -17.393 284 1HB GLU 38 HB2 GLU 38 20.123 0.975 -14.600 285 2HB GLU 38 HB1 GLU 38 20.355 -0.299 -15.788 286 1HG GLU 38 HG2 GLU 38 22.405 0.698 -15.824 287 2HG GLU 38 HG1 GLU 38 21.594 1.575 -17.120 288 H LYS 39 HN LYS 39 17.569 0.141 -14.786 289 HA LYS 39 HA LYS 39 16.921 -2.195 -16.234 290 1HB LYS 39 HB2 LYS 39 16.544 -1.237 -13.623 291 2HB LYS 39 HB1 LYS 39 14.931 -1.551 -14.244 292 1HG LYS 39 HG2 LYS 39 15.396 -3.600 -13.398 293 2HG LYS 39 HG1 LYS 39 16.067 -3.815 -15.016 294 1HD LYS 39 HD2 LYS 39 17.802 -2.756 -12.824 295 2HD LYS 39 HD1 LYS 39 17.464 -4.485 -12.909 296 1HE LYS 39 HE2 LYS 39 19.216 -4.572 -14.300 297 2HE LYS 39 HE1 LYS 39 18.111 -3.904 -15.500 298 1HZ LYS 39 HZ1 LYS 39 19.044 -1.723 -14.132 299 2HZ LYS 39 HZ3 LYS 39 20.406 -2.713 -14.292 300 3HZ LYS 39 HZ2 LYS 39 19.545 -2.233 -15.665 301 H THR 40 HN THR 40 15.806 0.961 -16.696 302 HA THR 40 HA THR 40 13.081 0.450 -17.302 303 HB THR 40 HB THR 40 14.842 2.641 -18.417 304 HG1 THR 40 HG1 THR 40 13.309 2.540 -16.033 305 1HG2 THR 40 2HG2 THR 40 11.856 2.459 -18.114 306 2HG2 THR 40 1HG2 THR 40 12.737 3.940 -18.490 307 3HG2 THR 40 3HG2 THR 40 12.776 2.581 -19.614 308 H TYR 41 HN TYR 41 15.850 0.995 -19.449 309 HA TYR 41 HA TYR 41 14.520 0.177 -21.810 310 1HB TYR 41 HB2 TYR 41 16.555 1.615 -21.760 311 2HB TYR 41 HB1 TYR 41 17.499 0.208 -21.281 312 HD1 TYR 41 HD1 TYR 41 18.222 -1.388 -22.887 313 HD2 TYR 41 HD2 TYR 41 15.492 1.673 -24.020 314 HE1 TYR 41 HE1 TYR 41 18.555 -1.974 -25.252 315 HE2 TYR 41 HE2 TYR 41 15.816 1.094 -26.388 316 HH TYR 41 HH TYR 41 16.750 -1.471 -27.545 317 H LEU 42 HN LEU 42 16.568 -1.546 -19.493 318 HA LEU 42 HA LEU 42 16.813 -3.941 -20.980 319 1HB LEU 42 HB2 LEU 42 17.323 -3.103 -18.179 320 2HB LEU 42 HB1 LEU 42 17.158 -4.822 -18.476 321 HG LEU 42 HG LEU 42 19.501 -4.131 -18.502 322 1HD1 LEU 42 1HD1 LEU 42 18.653 -5.988 -19.957 323 2HD1 LEU 42 3HD1 LEU 42 18.638 -4.840 -21.295 324 3HD1 LEU 42 2HD1 LEU 42 20.157 -5.242 -20.495 325 1HD2 LEU 42 3HD2 LEU 42 19.159 -1.823 -19.270 326 2HD2 LEU 42 2HD2 LEU 42 20.371 -2.669 -20.230 327 3HD2 LEU 42 1HD2 LEU 42 18.747 -2.429 -20.875 328 HA PRO 43 HA PRO 43 12.823 -5.713 -20.068 329 1HB PRO 43 HB2 PRO 43 13.074 -7.947 -21.489 330 2HB PRO 43 HB1 PRO 43 13.057 -6.369 -22.285 331 1HG PRO 43 HG2 PRO 43 15.355 -8.177 -21.713 332 2HG PRO 43 HG1 PRO 43 15.077 -7.119 -23.106 333 1HD PRO 43 HD2 PRO 43 16.680 -6.549 -20.858 334 2HD PRO 43 HD1 PRO 43 16.163 -5.399 -22.105 335 H ALA 44 HN ALA 44 15.182 -6.222 -18.165 336 HA ALA 44 HA ALA 44 15.173 -8.937 -17.391 337 1HB ALA 44 HB2 ALA 44 15.886 -6.475 -15.804 338 2HB ALA 44 HB1 ALA 44 16.235 -8.135 -15.321 339 3HB ALA 44 HB3 ALA 44 16.982 -7.463 -16.770 340 H VAL 45 HN VAL 45 12.837 -6.488 -16.922 341 HA VAL 45 HA VAL 45 11.727 -6.923 -14.468 342 HB VAL 45 HB VAL 45 9.498 -6.371 -15.501 343 1HG1 VAL 45 2HG1 VAL 45 11.042 -4.661 -14.657 344 2HG1 VAL 45 1HG1 VAL 45 11.789 -4.560 -16.251 345 3HG1 VAL 45 3HG1 VAL 45 10.105 -4.084 -16.035 346 1HG2 VAL 45 1HG2 VAL 45 11.146 -6.487 -18.015 347 2HG2 VAL 45 3HG2 VAL 45 9.608 -7.279 -17.670 348 3HG2 VAL 45 2HG2 VAL 45 9.669 -5.532 -17.902 349 H ASP 46 HN ASP 46 11.109 -8.821 -17.412 350 HA ASP 46 HA ASP 46 9.350 -10.629 -16.016 351 1HB ASP 46 HB2 ASP 46 9.151 -9.965 -18.467 352 2HB ASP 46 HB1 ASP 46 10.517 -11.035 -18.767 353 H GLU 47 HN GLU 47 12.718 -10.672 -17.138 354 HA GLU 47 HA GLU 47 13.150 -13.444 -16.664 355 1HB GLU 47 HB2 GLU 47 14.577 -11.774 -18.037 356 2HB GLU 47 HB1 GLU 47 15.326 -11.374 -16.498 357 1HG GLU 47 HG2 GLU 47 15.229 -14.125 -17.719 358 2HG GLU 47 HG1 GLU 47 16.605 -13.027 -17.786 359 H LYS 48 HN LYS 48 14.222 -10.607 -14.772 360 HA LYS 48 HA LYS 48 15.225 -11.972 -12.572 361 1HB LYS 48 HB2 LYS 48 15.157 -9.394 -13.243 362 2HB LYS 48 HB1 LYS 48 13.825 -9.388 -12.095 363 1HG LYS 48 HG2 LYS 48 15.577 -8.870 -10.725 364 2HG LYS 48 HG1 LYS 48 15.541 -10.625 -10.556 365 1HD LYS 48 HD2 LYS 48 17.724 -10.519 -11.064 366 2HD LYS 48 HD1 LYS 48 17.169 -10.306 -12.725 367 1HE LYS 48 HE2 LYS 48 17.461 -7.933 -10.927 368 2HE LYS 48 HE1 LYS 48 18.883 -8.633 -11.700 369 1HZ LYS 48 HZ1 LYS 48 17.777 -8.335 -13.853 370 2HZ LYS 48 HZ3 LYS 48 16.468 -7.589 -13.080 371 3HZ LYS 48 HZ2 LYS 48 17.996 -6.865 -13.046 372 H LEU 49 HN LEU 49 11.919 -11.429 -13.482 373 HA LEU 49 HA LEU 49 10.695 -11.698 -10.954 374 1HB LEU 49 HB2 LEU 49 9.770 -11.123 -13.424 375 2HB LEU 49 HB1 LEU 49 9.303 -12.809 -13.328 376 HG LEU 49 HG LEU 49 8.328 -11.991 -10.975 377 1HD1 LEU 49 1HD1 LEU 49 9.103 -9.687 -11.272 378 2HD1 LEU 49 3HD1 LEU 49 8.136 -9.555 -12.742 379 3HD1 LEU 49 2HD1 LEU 49 7.344 -9.778 -11.182 380 1HD2 LEU 49 1HD2 LEU 49 6.973 -11.638 -13.646 381 2HD2 LEU 49 3HD2 LEU 49 7.069 -13.132 -12.715 382 3HD2 LEU 49 2HD2 LEU 49 6.156 -11.760 -12.087 383 H ARG 50 HN ARG 50 10.895 -14.104 -13.585 384 HA ARG 50 HA ARG 50 10.284 -16.321 -11.945 385 1HB ARG 50 HB2 ARG 50 11.557 -16.039 -14.658 386 2HB ARG 50 HB1 ARG 50 11.399 -17.612 -13.890 387 1HG ARG 50 HG2 ARG 50 8.936 -16.017 -13.949 388 2HG ARG 50 HG1 ARG 50 9.553 -16.502 -15.529 389 1HD ARG 50 HD2 ARG 50 8.386 -18.383 -15.121 390 2HD ARG 50 HD1 ARG 50 9.807 -18.824 -14.179 391 HE ARG 50 HE ARG 50 7.223 -17.937 -13.142 392 1HH1 ARG 50 1HH1 ARG 50 10.506 -18.971 -12.469 393 2HH1 ARG 50 2HH1 ARG 50 10.180 -19.322 -10.807 394 1HH2 ARG 50 1HH2 ARG 50 6.808 -18.402 -10.954 395 2HH2 ARG 50 2HH2 ARG 50 8.083 -19.002 -9.946 396 H ASP 51 HN ASP 51 13.284 -14.713 -12.815 397 HA ASP 51 HA ASP 51 15.154 -16.619 -12.019 398 1HB ASP 51 HB2 ASP 51 15.500 -14.322 -13.167 399 2HB ASP 51 HB1 ASP 51 15.563 -13.676 -11.531 400 H LEU 52 HN LEU 52 13.844 -13.917 -10.093 401 HA LEU 52 HA LEU 52 15.006 -14.911 -7.662 402 1HB LEU 52 HB2 LEU 52 14.406 -12.458 -8.392 403 2HB LEU 52 HB1 LEU 52 12.843 -12.852 -7.701 404 HG LEU 52 HG LEU 52 14.214 -13.550 -5.603 405 1HD1 LEU 52 2HD1 LEU 52 16.411 -13.432 -6.646 406 2HD1 LEU 52 1HD1 LEU 52 16.170 -11.718 -6.984 407 3HD1 LEU 52 3HD1 LEU 52 16.282 -12.281 -5.316 408 1HD2 LEU 52 1HD2 LEU 52 13.907 -10.658 -6.406 409 2HD2 LEU 52 3HD2 LEU 52 12.663 -11.674 -5.675 410 3HD2 LEU 52 2HD2 LEU 52 14.110 -11.255 -4.759 411 H TYR 53 HN TYR 53 12.135 -15.609 -9.374 412 HA TYR 53 HA TYR 53 10.385 -16.137 -7.211 413 1HB TYR 53 HB2 TYR 53 10.354 -16.434 -10.085 414 2HB TYR 53 HB1 TYR 53 9.692 -17.870 -9.316 415 HD1 TYR 53 HD1 TYR 53 8.178 -17.005 -7.093 416 HD2 TYR 53 HD2 TYR 53 8.686 -15.038 -10.831 417 HE1 TYR 53 HE1 TYR 53 6.033 -15.848 -6.769 418 HE2 TYR 53 HE2 TYR 53 6.545 -13.874 -10.516 419 HH TYR 53 HH TYR 53 5.108 -13.317 -7.972 420 H SER 54 HN SER 54 12.436 -18.295 -9.182 421 HA SER 54 HA SER 54 11.835 -20.667 -7.804 422 1HB SER 54 HB2 SER 54 13.017 -20.444 -10.046 423 2HB SER 54 HB1 SER 54 14.481 -20.069 -9.137 424 HG SER 54 HG SER 54 14.665 -22.182 -9.205 425 H LYS 55 HN LYS 55 14.477 -18.329 -7.359 426 HA LYS 55 HA LYS 55 15.802 -19.675 -5.277 427 1HB LYS 55 HB2 LYS 55 15.791 -16.912 -6.360 428 2HB LYS 55 HB1 LYS 55 16.411 -17.111 -4.727 429 1HG LYS 55 HG2 LYS 55 18.298 -17.280 -6.071 430 2HG LYS 55 HG1 LYS 55 17.886 -18.958 -5.711 431 1HD LYS 55 HD2 LYS 55 18.004 -19.283 -7.923 432 2HD LYS 55 HD1 LYS 55 16.447 -18.459 -7.998 433 1HE LYS 55 HE2 LYS 55 17.538 -16.347 -8.417 434 2HE LYS 55 HE1 LYS 55 19.124 -17.084 -8.199 435 1HZ LYS 55 HZ2 LYS 55 18.646 -18.497 -10.140 436 2HZ LYS 55 HZ1 LYS 55 17.188 -17.673 -10.373 437 3HZ LYS 55 HZ3 LYS 55 18.659 -16.851 -10.527 438 H SER 56 HN SER 56 13.345 -17.095 -5.167 439 HA SER 56 HA SER 56 13.226 -16.877 -2.368 440 1HB SER 56 HB2 SER 56 11.155 -15.657 -2.698 441 2HB SER 56 HB1 SER 56 12.309 -15.193 -3.946 442 HG SER 56 HG SER 56 9.918 -16.582 -4.159 443 H THR 57 HN THR 57 11.525 -19.084 -4.566 444 HA THR 57 HA THR 57 9.536 -19.986 -2.831 445 HB THR 57 HB THR 57 10.995 -21.463 -5.032 446 HG1 THR 57 HG1 THR 57 8.545 -20.037 -4.969 447 1HG2 THR 57 2HG2 THR 57 8.486 -22.203 -3.557 448 2HG2 THR 57 1HG2 THR 57 8.895 -22.832 -5.152 449 3HG2 THR 57 3HG2 THR 57 9.948 -23.166 -3.778 450 H ALA 58 HN ALA 58 12.898 -21.066 -3.201 451 HA ALA 58 HA ALA 58 12.804 -23.321 -1.553 452 1HB ALA 58 HB1 ALA 58 15.237 -23.019 -1.295 453 2HB ALA 58 HB2 ALA 58 15.099 -21.421 -2.027 454 3HB ALA 58 HB3 ALA 58 14.712 -22.859 -2.971 455 H ALA 59 HN ALA 59 13.944 -20.047 -0.661 456 HA ALA 59 HA ALA 59 14.123 -20.556 2.102 457 1HB ALA 59 HB1 ALA 59 13.738 -17.921 0.685 458 2HB ALA 59 HB2 ALA 59 15.282 -18.697 1.041 459 3HB ALA 59 HB3 ALA 59 14.258 -18.126 2.358 460 H MET 60 HN MET 60 11.445 -19.506 0.084 461 HA MET 60 HA MET 60 9.722 -18.553 2.078 462 1HB MET 60 HB2 MET 60 9.469 -18.289 -0.423 463 2HB MET 60 HB1 MET 60 8.854 -19.935 -0.459 464 1HG MET 60 HG2 MET 60 7.040 -18.333 -0.466 465 2HG MET 60 HG1 MET 60 7.021 -19.290 1.014 466 1HE MET 60 HE1 MET 60 7.678 -15.911 -0.666 467 2HE MET 60 HE3 MET 60 8.176 -14.850 0.652 468 3HE MET 60 HE2 MET 60 9.277 -16.092 0.056 469 H SER 61 HN SER 61 10.419 -21.844 1.038 470 HA SER 61 HA SER 61 8.153 -23.063 2.222 471 1HB SER 61 HB2 SER 61 9.214 -25.143 1.802 472 2HB SER 61 HB1 SER 61 9.727 -24.081 0.491 473 HG SER 61 HG SER 61 11.200 -25.230 2.517 474 H THR 62 HN THR 62 10.976 -21.725 3.606 475 HA THR 62 HA THR 62 10.609 -23.223 6.103 476 HB THR 62 HB THR 62 12.856 -21.288 5.653 477 HG1 THR 62 HG1 THR 62 13.328 -22.451 3.946 478 1HG2 THR 62 1HG2 THR 62 12.302 -22.760 7.797 479 2HG2 THR 62 3HG2 THR 62 13.249 -23.938 6.888 480 3HG2 THR 62 2HG2 THR 62 13.948 -22.371 7.299 481 H TYR 63 HN TYR 63 11.035 -19.894 4.908 482 HA TYR 63 HA TYR 63 10.441 -18.609 7.329 483 1HB TYR 63 HB2 TYR 63 10.589 -17.754 4.466 484 2HB TYR 63 HB1 TYR 63 9.896 -16.657 5.655 485 HD1 TYR 63 HD1 TYR 63 12.938 -18.106 4.338 486 HD2 TYR 63 HD2 TYR 63 11.298 -15.867 7.562 487 HE1 TYR 63 HE1 TYR 63 15.198 -17.376 4.971 488 HE2 TYR 63 HE2 TYR 63 13.554 -15.130 8.205 489 HH TYR 63 HH TYR 63 16.146 -16.412 7.624 490 H THR 64 HN THR 64 8.390 -20.208 5.075 491 HA THR 64 HA THR 64 6.068 -18.621 5.516 492 HB THR 64 HB THR 64 6.571 -21.324 4.337 493 HG1 THR 64 HG1 THR 64 5.278 -18.969 3.429 494 1HG2 THR 64 1HG2 THR 64 3.868 -20.311 5.154 495 2HG2 THR 64 3HG2 THR 64 4.098 -21.456 3.833 496 3HG2 THR 64 2HG2 THR 64 4.592 -21.888 5.469 497 H GLY 65 HN GLY 65 7.008 -21.813 6.771 498 1HA GLY 65 HA1 GLY 65 6.406 -22.891 8.715 499 2HA GLY 65 HA2 GLY 65 4.955 -21.893 8.734 500 H ILE 66 HN ILE 66 8.288 -20.751 8.710 501 HA ILE 66 HA ILE 66 8.561 -20.280 11.485 502 HB ILE 66 HB ILE 66 9.973 -19.066 9.110 503 1HG1 ILE 66 2HG1 ILE 66 11.061 -20.918 11.230 504 2HG1 ILE 66 1HG1 ILE 66 10.291 -21.517 9.763 505 1HG2 ILE 66 3HG2 ILE 66 10.382 -18.549 12.043 506 2HG2 ILE 66 2HG2 ILE 66 11.657 -18.296 10.853 507 3HG2 ILE 66 1HG2 ILE 66 10.155 -17.379 10.742 508 1HD1 ILE 66 2HD1 ILE 66 11.979 -20.259 8.445 509 2HD1 ILE 66 1HD1 ILE 66 12.789 -19.855 9.958 510 3HD1 ILE 66 3HD1 ILE 66 12.654 -21.539 9.452 511 H PHE 67 HN PHE 67 7.935 -17.981 8.826 512 HA PHE 67 HA PHE 67 7.500 -15.694 10.314 513 1HB PHE 67 HB2 PHE 67 7.621 -15.698 7.860 514 2HB PHE 67 HB1 PHE 67 6.055 -16.497 7.778 515 HD1 PHE 67 HD1 PHE 67 4.036 -15.273 8.001 516 HD2 PHE 67 HD2 PHE 67 7.782 -13.368 8.675 517 HE1 PHE 67 HE1 PHE 67 2.920 -13.081 7.988 518 HE2 PHE 67 HE2 PHE 67 6.671 -11.173 8.664 519 HZ PHE 67 HZ PHE 67 4.237 -11.027 8.320 520 H THR 68 HN THR 68 4.976 -17.953 9.185 521 HA THR 68 HA THR 68 2.883 -16.719 10.603 522 HB THR 68 HB THR 68 2.666 -18.304 8.638 523 HG1 THR 68 HG1 THR 68 0.773 -17.823 9.546 524 1HG2 THR 68 3HG2 THR 68 4.066 -20.126 9.693 525 2HG2 THR 68 2HG2 THR 68 2.667 -20.475 10.708 526 3HG2 THR 68 1HG2 THR 68 2.545 -20.624 8.955 527 H ASP 69 HN ASP 69 5.363 -18.850 11.645 528 HA ASP 69 HA ASP 69 4.122 -20.147 13.793 529 1HB ASP 69 HB2 ASP 69 6.471 -20.556 12.900 530 2HB ASP 69 HB1 ASP 69 6.977 -19.161 13.844 531 H GLN 70 HN GLN 70 6.045 -17.142 13.879 532 HA GLN 70 HA GLN 70 5.330 -16.516 16.559 533 1HB GLN 70 HB2 GLN 70 6.601 -14.913 14.347 534 2HB GLN 70 HB1 GLN 70 6.270 -14.224 15.929 535 1HG GLN 70 HG2 GLN 70 8.492 -14.874 16.057 536 2HG GLN 70 HG1 GLN 70 7.625 -16.180 16.863 537 1HE2 GLN 70 1HE2 GLN 70 8.823 -15.254 13.647 538 2HE2 GLN 70 2HE2 GLN 70 9.316 -16.844 13.187 539 H VAL 71 HN VAL 71 3.843 -15.902 13.488 540 HA VAL 71 HA VAL 71 2.223 -13.691 14.245 541 HB VAL 71 HB VAL 71 1.814 -15.748 12.058 542 1HG1 VAL 71 1HG1 VAL 71 0.322 -13.217 12.695 543 2HG1 VAL 71 3HG1 VAL 71 0.310 -13.947 11.090 544 3HG1 VAL 71 2HG1 VAL 71 -0.322 -14.843 12.471 545 1HG2 VAL 71 3HG2 VAL 71 3.806 -13.977 12.156 546 2HG2 VAL 71 2HG2 VAL 71 3.007 -14.423 10.649 547 3HG2 VAL 71 1HG2 VAL 71 2.552 -12.937 11.482 548 H LEU 72 HN LEU 72 1.561 -17.153 13.870 549 HA LEU 72 HA LEU 72 -1.034 -17.183 14.914 550 1HB LEU 72 HB2 LEU 72 1.115 -19.306 14.901 551 2HB LEU 72 HB1 LEU 72 -0.529 -19.603 15.433 552 HG LEU 72 HG LEU 72 -0.051 -18.497 12.693 553 1HD1 LEU 72 1HD1 LEU 72 1.463 -20.432 12.943 554 2HD1 LEU 72 3HD1 LEU 72 0.076 -21.426 13.390 555 3HD1 LEU 72 2HD1 LEU 72 0.169 -20.715 11.780 556 1HD2 LEU 72 2HD2 LEU 72 -2.331 -18.614 13.576 557 2HD2 LEU 72 1HD2 LEU 72 -2.109 -19.703 12.206 558 3HD2 LEU 72 3HD2 LEU 72 -2.135 -20.346 13.848 559 H SER 73 HN SER 73 2.140 -17.245 16.415 560 HA SER 73 HA SER 73 1.389 -17.933 19.024 561 1HB SER 73 HB2 SER 73 3.763 -17.618 17.993 562 2HB SER 73 HB1 SER 73 3.575 -15.939 18.497 563 HG SER 73 HG SER 73 4.578 -17.133 20.129 564 H VAL 74 HN VAL 74 1.344 -14.840 17.357 565 HA VAL 74 HA VAL 74 0.671 -13.298 19.668 566 HB VAL 74 HB VAL 74 0.097 -12.553 16.795 567 1HG1 VAL 74 3HG1 VAL 74 0.531 -10.915 19.290 568 2HG1 VAL 74 2HG1 VAL 74 0.395 -10.249 17.663 569 3HG1 VAL 74 1HG1 VAL 74 -0.971 -11.096 18.386 570 1HG2 VAL 74 3HG2 VAL 74 2.649 -12.870 18.170 571 2HG2 VAL 74 2HG2 VAL 74 2.303 -12.681 16.452 572 3HG2 VAL 74 1HG2 VAL 74 2.424 -11.260 17.488 573 H LEU 75 HN LEU 75 -1.108 -15.409 17.625 574 HA LEU 75 HA LEU 75 -3.672 -14.229 17.800 575 1HB LEU 75 HB2 LEU 75 -2.652 -16.357 16.460 576 2HB LEU 75 HB1 LEU 75 -3.538 -17.174 17.733 577 HG LEU 75 HG LEU 75 -4.952 -15.046 16.202 578 1HD1 LEU 75 2HD1 LEU 75 -3.830 -16.317 14.452 579 2HD1 LEU 75 1HD1 LEU 75 -4.452 -17.821 15.133 580 3HD1 LEU 75 3HD1 LEU 75 -5.565 -16.634 14.452 581 1HD2 LEU 75 2HD2 LEU 75 -5.755 -17.710 17.365 582 2HD2 LEU 75 1HD2 LEU 75 -6.075 -16.120 18.056 583 3HD2 LEU 75 3HD2 LEU 75 -6.842 -16.592 16.540 584 H LYS 76 HN LYS 76 -1.890 -16.452 19.815 585 HA LYS 76 HA LYS 76 -4.012 -16.986 21.650 586 1HB LYS 76 HB2 LYS 76 -1.724 -18.250 21.190 587 2HB LYS 76 HB1 LYS 76 -1.151 -17.204 22.482 588 1HG LYS 76 HG2 LYS 76 -1.785 -19.071 23.651 589 2HG LYS 76 HG1 LYS 76 -3.247 -18.086 23.755 590 1HD LYS 76 HD2 LYS 76 -4.171 -19.317 21.820 591 2HD LYS 76 HD1 LYS 76 -2.731 -20.337 21.810 592 1HE LYS 76 HE2 LYS 76 -3.266 -21.030 24.130 593 2HE LYS 76 HE1 LYS 76 -4.757 -20.093 24.031 594 1HZ LYS 76 HZ3 LYS 76 -5.466 -21.494 22.189 595 2HZ LYS 76 HZ2 LYS 76 -4.040 -22.397 22.297 596 3HZ LYS 76 HZ1 LYS 76 -5.155 -22.425 23.568 597 H GLY 77 HN GLY 77 -1.467 -14.567 21.430 598 1HA GLY 77 HA1 GLY 77 -0.955 -12.743 22.728 599 2HA GLY 77 HA2 GLY 77 -1.726 -13.560 24.080 600 H GLU 78 HN GLU 78 -2.185 -11.347 21.405 601 HA GLU 78 HA GLU 78 -4.972 -10.882 22.090 602 1HB GLU 78 HB2 GLU 78 -4.405 -8.362 22.353 603 2HB GLU 78 HB1 GLU 78 -4.165 -9.443 23.717 604 1HG GLU 78 HG2 GLU 78 -2.283 -8.020 23.618 605 2HG GLU 78 HG1 GLU 78 -1.755 -9.604 23.055 606 H GLU 79 HN GLU 79 -3.596 -11.743 19.652 607 HA GLU 79 HA GLU 79 -4.889 -9.980 17.818 608 1HB GLU 79 HB2 GLU 79 -2.112 -9.492 18.404 609 2HB GLU 79 HB1 GLU 79 -2.280 -9.993 16.730 610 1HG GLU 79 HG2 GLU 79 -2.906 -7.947 16.197 611 2HG GLU 79 HG1 GLU 79 -4.326 -8.123 17.225 No H/Q in entry = 611 Start of MODEL 41 1 H1 THR 1 HT1 THR 1 24.142 -2.618 50.576 2 H2 THR 1 HT3 THR 1 22.657 -1.764 50.491 3 H3 THR 1 HT2 THR 1 23.383 -2.074 52.016 4 HA THR 1 HA THR 1 23.031 -4.371 51.809 5 HB THR 1 HB THR 1 20.501 -4.339 51.625 6 HG1 THR 1 HG1 THR 1 19.877 -2.777 50.341 7 1HG2 THR 1 3HG2 THR 1 21.741 -3.755 53.731 8 2HG2 THR 1 2HG2 THR 1 21.519 -2.062 53.291 9 3HG2 THR 1 1HG2 THR 1 20.115 -3.089 53.581 10 H GLN 2 HN GLN 2 22.221 -6.189 50.644 11 HA GLN 2 HA GLN 2 22.674 -5.977 47.783 12 1HB GLN 2 HB2 GLN 2 22.379 -8.270 49.704 13 2HB GLN 2 HB1 GLN 2 22.280 -8.541 47.970 14 1HG GLN 2 HG2 GLN 2 24.500 -8.969 48.457 15 2HG GLN 2 HG1 GLN 2 24.531 -7.315 47.852 16 1HE2 GLN 2 1HE2 GLN 2 25.110 -5.662 49.206 17 2HE2 GLN 2 2HE2 GLN 2 25.704 -5.911 50.809 18 H GLN 3 HN GLN 3 20.695 -4.639 47.551 19 HA GLN 3 HA GLN 3 18.435 -6.349 46.850 20 1HB GLN 3 HB2 GLN 3 18.377 -4.142 48.871 21 2HB GLN 3 HB1 GLN 3 16.964 -4.403 47.859 22 1HG GLN 3 HG2 GLN 3 18.241 -6.516 49.578 23 2HG GLN 3 HG1 GLN 3 16.854 -5.537 50.054 24 1HE2 GLN 3 1HE2 GLN 3 14.879 -5.795 48.898 25 2HE2 GLN 3 2HE2 GLN 3 14.538 -7.266 48.059 26 HA PRO 4 HA PRO 4 18.125 -3.626 43.385 27 1HB PRO 4 HB2 PRO 4 15.495 -3.621 42.809 28 2HB PRO 4 HB1 PRO 4 16.492 -5.067 42.619 29 1HG PRO 4 HG2 PRO 4 14.623 -4.334 44.838 30 2HG PRO 4 HG1 PRO 4 14.850 -5.899 44.036 31 1HD PRO 4 HD2 PRO 4 15.959 -5.251 46.453 32 2HD PRO 4 HD1 PRO 4 16.662 -6.435 45.333 33 H GLN 5 HN GLN 5 18.741 -1.874 45.088 34 HA GLN 5 HA GLN 5 16.710 -0.052 45.929 35 1HB GLN 5 HB2 GLN 5 19.717 0.085 45.843 36 2HB GLN 5 HB1 GLN 5 18.748 1.463 46.343 37 1HG GLN 5 HG2 GLN 5 18.695 0.647 48.393 38 2HG GLN 5 HG1 GLN 5 17.798 -0.749 47.797 39 1HE2 GLN 5 1HE2 GLN 5 21.113 0.495 48.072 40 2HE2 GLN 5 2HE2 GLN 5 21.841 -1.038 48.396 41 H GLN 6 HN GLN 6 19.255 0.150 43.433 42 HA GLN 6 HA GLN 6 18.361 2.620 42.371 43 1HB GLN 6 HB2 GLN 6 20.240 0.480 41.428 44 2HB GLN 6 HB1 GLN 6 19.774 1.775 40.334 45 1HG GLN 6 HG2 GLN 6 21.833 2.377 41.360 46 2HG GLN 6 HG1 GLN 6 20.572 3.410 42.027 47 1HE2 GLN 6 1HE2 GLN 6 22.478 0.505 42.659 48 2HE2 GLN 6 2HE2 GLN 6 22.441 0.639 44.381 49 H ASP 7 HN ASP 7 17.820 2.747 39.904 50 HA ASP 7 HA ASP 7 15.291 1.484 39.543 51 1HB ASP 7 HB2 ASP 7 15.746 3.747 38.699 52 2HB ASP 7 HB1 ASP 7 16.950 3.098 37.590 53 H GLU 8 HN GLU 8 14.675 -0.163 38.207 54 HA GLU 8 HA GLU 8 16.628 -2.118 37.523 55 1HB GLU 8 HB2 GLU 8 14.063 -2.342 38.125 56 2HB GLU 8 HB1 GLU 8 13.864 -2.203 36.384 57 1HG GLU 8 HG2 GLU 8 15.674 -4.224 37.677 58 2HG GLU 8 HG1 GLU 8 13.981 -4.538 37.300 59 H MET 9 HN MET 9 17.704 -2.441 35.675 60 HA MET 9 HA MET 9 17.621 -0.514 33.591 61 1HB MET 9 HB2 MET 9 19.035 -3.154 33.906 62 2HB MET 9 HB1 MET 9 19.164 -2.207 32.430 63 1HG MET 9 HG2 MET 9 20.775 -1.006 33.338 64 2HG MET 9 HG1 MET 9 19.671 -0.471 34.604 65 1HE MET 9 HE1 MET 9 19.751 -0.851 36.741 66 2HE MET 9 HE3 MET 9 19.417 -2.557 37.039 67 3HE MET 9 HE2 MET 9 20.890 -1.823 37.671 68 HA PRO 10 HA PRO 10 14.261 -2.542 31.384 69 1HB PRO 10 HB2 PRO 10 13.785 -0.558 29.636 70 2HB PRO 10 HB1 PRO 10 13.305 -0.438 31.333 71 1HG PRO 10 HG2 PRO 10 15.684 0.738 29.950 72 2HG PRO 10 HG1 PRO 10 14.602 1.481 31.141 73 1HD PRO 10 HD2 PRO 10 17.053 0.430 31.761 74 2HD PRO 10 HD1 PRO 10 15.707 0.537 32.912 75 H SER 11 HN SER 11 13.783 -2.610 28.850 76 HA SER 11 HA SER 11 15.984 -4.007 27.683 77 1HB SER 11 HB2 SER 11 13.563 -4.595 27.335 78 2HB SER 11 HB1 SER 11 13.416 -3.157 26.325 79 HG SER 11 HG SER 11 14.652 -4.071 24.808 80 HA PRO 12 HA PRO 12 18.036 -0.667 25.620 81 1HB PRO 12 HB2 PRO 12 19.132 -2.062 23.532 82 2HB PRO 12 HB1 PRO 12 19.787 -2.068 25.172 83 1HG PRO 12 HG2 PRO 12 18.028 -4.080 23.826 84 2HG PRO 12 HG1 PRO 12 19.434 -4.345 24.875 85 1HD PRO 12 HD2 PRO 12 16.918 -4.599 25.788 86 2HD PRO 12 HD1 PRO 12 18.222 -3.959 26.809 87 H THR 13 HN THR 13 17.761 0.731 23.899 88 HA THR 13 HA THR 13 15.295 0.536 22.478 89 HB THR 13 HB THR 13 16.203 2.697 23.225 90 HG1 THR 13 HG1 THR 13 14.813 2.938 21.570 91 1HG2 THR 13 3HG2 THR 13 18.613 2.171 22.681 92 2HG2 THR 13 2HG2 THR 13 18.212 2.539 21.004 93 3HG2 THR 13 1HG2 THR 13 18.039 3.780 22.244 94 H PHE 14 HN PHE 14 14.878 -0.285 20.543 95 HA PHE 14 HA PHE 14 17.131 -1.202 18.897 96 1HB PHE 14 HB2 PHE 14 14.239 -2.055 18.690 97 2HB PHE 14 HB1 PHE 14 15.633 -2.817 17.931 98 HD1 PHE 14 HD1 PHE 14 17.499 -3.603 19.643 99 HD2 PHE 14 HD2 PHE 14 13.398 -2.996 20.607 100 HE1 PHE 14 HE1 PHE 14 17.739 -5.093 21.586 101 HE2 PHE 14 HE2 PHE 14 13.632 -4.486 22.551 102 HZ PHE 14 HZ PHE 14 15.804 -5.536 23.042 103 H LEU 15 HN LEU 15 14.254 0.805 18.851 104 HA LEU 15 HA LEU 15 14.046 1.212 16.078 105 1HB LEU 15 HB2 LEU 15 12.750 3.213 16.646 106 2HB LEU 15 HB1 LEU 15 12.248 1.815 17.577 107 HG LEU 15 HG LEU 15 14.100 3.000 19.238 108 1HD1 LEU 15 2HD1 LEU 15 12.535 5.152 17.824 109 2HD1 LEU 15 1HD1 LEU 15 13.389 5.371 19.352 110 3HD1 LEU 15 3HD1 LEU 15 14.288 4.976 17.888 111 1HD2 LEU 15 3HD2 LEU 15 11.943 2.046 19.879 112 2HD2 LEU 15 2HD2 LEU 15 12.165 3.654 20.570 113 3HD2 LEU 15 1HD2 LEU 15 11.115 3.433 19.169 114 H THR 16 HN THR 16 16.077 2.739 18.517 115 HA THR 16 HA THR 16 16.903 4.999 17.103 116 HB THR 16 HB THR 16 18.494 3.335 19.067 117 HG1 THR 16 HG1 THR 16 16.747 5.539 19.422 118 1HG2 THR 16 3HG2 THR 16 18.882 6.173 18.152 119 2HG2 THR 16 2HG2 THR 16 19.633 5.478 19.589 120 3HG2 THR 16 1HG2 THR 16 20.012 4.827 17.995 121 H GLN 17 HN GLN 17 18.199 1.689 17.072 122 HA GLN 17 HA GLN 17 20.418 2.193 15.415 123 1HB GLN 17 HB2 GLN 17 19.938 0.096 16.777 124 2HB GLN 17 HB1 GLN 17 18.854 -0.389 15.481 125 1HG GLN 17 HG2 GLN 17 21.026 0.101 14.023 126 2HG GLN 17 HG1 GLN 17 21.809 -0.291 15.553 127 1HE2 GLN 17 1HE2 GLN 17 21.554 -2.371 16.425 128 2HE2 GLN 17 2HE2 GLN 17 21.041 -3.703 15.450 129 H VAL 18 HN VAL 18 17.206 0.889 14.602 130 HA VAL 18 HA VAL 18 17.159 0.444 11.997 131 HB VAL 18 HB VAL 18 15.122 2.230 13.335 132 1HG1 VAL 18 1HG1 VAL 18 15.052 0.638 10.786 133 2HG1 VAL 18 3HG1 VAL 18 13.588 1.151 11.626 134 3HG1 VAL 18 2HG1 VAL 18 14.723 2.355 11.015 135 1HG2 VAL 18 2HG2 VAL 18 15.512 -0.740 13.276 136 2HG2 VAL 18 1HG2 VAL 18 15.163 0.313 14.648 137 3HG2 VAL 18 3HG2 VAL 18 13.902 -0.047 13.469 138 H LYS 19 HN LYS 19 16.956 3.790 13.239 139 HA LYS 19 HA LYS 19 16.784 5.150 10.851 140 1HB LYS 19 HB2 LYS 19 18.203 5.966 13.387 141 2HB LYS 19 HB1 LYS 19 17.877 7.061 12.053 142 1HG LYS 19 HG2 LYS 19 15.896 7.502 12.927 143 2HG LYS 19 HG1 LYS 19 15.432 5.814 12.699 144 1HD LYS 19 HD2 LYS 19 16.635 5.359 14.901 145 2HD LYS 19 HD1 LYS 19 16.647 7.109 15.127 146 1HE LYS 19 HE2 LYS 19 14.038 6.009 14.374 147 2HE LYS 19 HE1 LYS 19 14.646 5.425 15.921 148 1HZ LYS 19 HZ1 LYS 19 14.348 8.279 15.149 149 2HZ LYS 19 HZ3 LYS 19 13.320 7.425 16.187 150 3HZ LYS 19 HZ2 LYS 19 14.923 7.716 16.637 151 H GLU 20 HN GLU 20 19.786 4.295 12.571 152 HA GLU 20 HA GLU 20 21.533 5.350 10.626 153 1HB GLU 20 HB2 GLU 20 21.928 3.233 12.739 154 2HB GLU 20 HB1 GLU 20 23.231 3.807 11.709 155 1HG GLU 20 HG2 GLU 20 23.529 5.109 13.562 156 2HG GLU 20 HG1 GLU 20 22.504 6.155 12.582 157 H SER 21 HN SER 21 19.880 2.302 10.906 158 HA SER 21 HA SER 21 21.393 0.796 9.061 159 1HB SER 21 HB2 SER 21 18.438 0.519 9.665 160 2HB SER 21 HB1 SER 21 19.486 -0.712 8.963 161 HG SER 21 HG SER 21 19.283 0.169 11.595 162 H LEU 22 HN LEU 22 18.520 2.840 8.659 163 HA LEU 22 HA LEU 22 18.272 2.389 5.857 164 1HB LEU 22 HB2 LEU 22 16.772 3.665 7.864 165 2HB LEU 22 HB1 LEU 22 17.158 4.915 6.698 166 HG LEU 22 HG LEU 22 15.005 3.919 6.190 167 1HD1 LEU 22 1HD1 LEU 22 16.488 4.673 4.345 168 2HD1 LEU 22 3HD1 LEU 22 17.038 3.007 4.162 169 3HD1 LEU 22 2HD1 LEU 22 15.346 3.415 3.872 170 1HD2 LEU 22 3HD2 LEU 22 15.501 1.707 7.226 171 2HD2 LEU 22 2HD2 LEU 22 14.723 1.607 5.647 172 3HD2 LEU 22 1HD2 LEU 22 16.454 1.306 5.796 173 H SER 23 HN SER 23 19.924 4.800 7.836 174 HA SER 23 HA SER 23 20.530 6.662 5.836 175 1HB SER 23 HB2 SER 23 22.143 5.933 8.295 176 2HB SER 23 HB1 SER 23 22.384 7.380 7.317 177 HG SER 23 HG SER 23 20.410 6.791 9.163 178 H SER 24 HN SER 24 22.474 3.933 7.044 179 HA SER 24 HA SER 24 24.570 4.217 5.170 180 1HB SER 24 HB2 SER 24 23.652 1.765 6.694 181 2HB SER 24 HB1 SER 24 25.179 1.901 5.821 182 HG SER 24 HG SER 24 24.399 3.027 8.238 183 H TYR 25 HN TYR 25 21.375 2.980 4.877 184 HA TYR 25 HA TYR 25 21.859 1.209 2.676 185 1HB TYR 25 HB2 TYR 25 19.777 1.541 4.406 186 2HB TYR 25 HB1 TYR 25 19.150 2.347 2.973 187 HD1 TYR 25 HD1 TYR 25 19.873 -0.817 4.537 188 HD2 TYR 25 HD2 TYR 25 19.006 1.056 0.816 189 HE1 TYR 25 HE1 TYR 25 19.261 -3.001 3.588 190 HE2 TYR 25 HE2 TYR 25 18.392 -1.122 -0.144 191 HH TYR 25 HH TYR 25 19.227 -3.829 0.750 192 H TRP 26 HN TRP 26 20.764 4.561 3.033 193 HA TRP 26 HA TRP 26 20.151 5.035 0.322 194 1HB TRP 26 HB2 TRP 26 19.375 6.517 2.105 195 2HB TRP 26 HB1 TRP 26 21.035 6.977 2.469 196 HD1 TRP 26 HD1 TRP 26 18.207 7.659 0.019 197 HE1 TRP 26 HE1 TRP 26 18.839 9.678 -1.446 198 HE3 TRP 26 HE3 TRP 26 23.086 8.202 1.443 199 HZ2 TRP 26 HZ2 TRP 26 21.108 11.289 -1.934 200 HZ3 TRP 26 HZ3 TRP 26 24.418 10.004 0.431 201 HH2 TRP 26 HH2 TRP 26 23.448 11.515 -1.223 202 H GLU 27 HN GLU 27 23.136 5.321 2.162 203 HA GLU 27 HA GLU 27 24.827 6.725 0.583 204 1HB GLU 27 HB2 GLU 27 25.511 4.080 1.884 205 2HB GLU 27 HB1 GLU 27 26.661 5.313 1.392 206 1HG GLU 27 HG2 GLU 27 24.703 5.366 3.654 207 2HG GLU 27 HG1 GLU 27 26.450 5.588 3.693 208 H SER 28 HN SER 28 24.325 3.219 0.257 209 HA SER 28 HA SER 28 25.533 3.215 -2.379 210 1HB SER 28 HB2 SER 28 25.155 0.766 -2.282 211 2HB SER 28 HB1 SER 28 26.036 1.363 -0.876 212 HG SER 28 HG SER 28 24.377 0.904 0.378 213 H ALA 29 HN ALA 29 22.397 3.625 -1.078 214 HA ALA 29 HA ALA 29 20.801 2.361 -3.016 215 1HB ALA 29 HB2 ALA 29 19.951 3.264 -0.880 216 2HB ALA 29 HB1 ALA 29 20.144 4.894 -1.523 217 3HB ALA 29 HB3 ALA 29 19.002 3.778 -2.273 218 H LYS 30 HN LYS 30 22.589 5.365 -3.145 219 HA LYS 30 HA LYS 30 21.274 6.721 -5.162 220 1HB LYS 30 HB2 LYS 30 23.488 7.229 -3.751 221 2HB LYS 30 HB1 LYS 30 24.245 6.716 -5.252 222 1HG LYS 30 HG2 LYS 30 23.047 8.432 -6.476 223 2HG LYS 30 HG1 LYS 30 22.208 8.921 -5.002 224 1HD LYS 30 HD2 LYS 30 25.207 8.960 -5.288 225 2HD LYS 30 HD1 LYS 30 24.183 10.346 -5.666 226 1HE LYS 30 HE2 LYS 30 23.954 10.875 -3.510 227 2HE LYS 30 HE1 LYS 30 23.557 9.215 -3.071 228 1HZ LYS 30 HZ3 LYS 30 25.935 8.708 -3.059 229 2HZ LYS 30 HZ2 LYS 30 26.291 10.320 -3.426 230 3HZ LYS 30 HZ1 LYS 30 25.555 9.932 -1.955 231 H THR 31 HN THR 31 23.928 4.383 -5.583 232 HA THR 31 HA THR 31 24.111 4.354 -8.330 233 HB THR 31 HB THR 31 24.944 2.046 -8.140 234 HG1 THR 31 HG1 THR 31 23.859 0.948 -6.693 235 1HG2 THR 31 1HG2 THR 31 26.356 3.997 -7.347 236 2HG2 THR 31 3HG2 THR 31 25.935 3.491 -5.711 237 3HG2 THR 31 2HG2 THR 31 26.808 2.390 -6.777 238 H ALA 32 HN ALA 32 21.761 2.792 -6.239 239 HA ALA 32 HA ALA 32 20.481 1.204 -8.186 240 1HB ALA 32 HB2 ALA 32 18.917 2.382 -5.935 241 2HB ALA 32 HB1 ALA 32 18.900 0.743 -6.586 242 3HB ALA 32 HB3 ALA 32 20.240 1.274 -5.570 243 H ALA 33 HN ALA 33 19.886 4.534 -7.062 244 HA ALA 33 HA ALA 33 17.573 5.123 -8.445 245 1HB ALA 33 HB1 ALA 33 18.744 6.635 -6.838 246 2HB ALA 33 HB3 ALA 33 19.875 7.039 -8.128 247 3HB ALA 33 HB2 ALA 33 18.166 7.438 -8.297 248 H GLN 34 HN GLN 34 20.892 5.557 -9.652 249 HA GLN 34 HA GLN 34 20.105 6.310 -12.263 250 1HB GLN 34 HB2 GLN 34 22.683 5.129 -11.210 251 2HB GLN 34 HB1 GLN 34 22.474 5.656 -12.874 252 1HG GLN 34 HG2 GLN 34 23.454 7.501 -11.958 253 2HG GLN 34 HG1 GLN 34 21.751 7.906 -11.762 254 1HE2 GLN 34 1HE2 GLN 34 21.084 8.467 -9.801 255 2HE2 GLN 34 2HE2 GLN 34 21.948 8.201 -8.329 256 H ASN 35 HN ASN 35 20.820 3.234 -10.715 257 HA ASN 35 HA ASN 35 20.788 1.612 -13.016 258 1HB ASN 35 HB2 ASN 35 21.554 1.006 -10.633 259 2HB ASN 35 HB1 ASN 35 19.855 0.669 -10.314 260 1HD2 ASN 35 1HD2 ASN 35 22.417 -0.086 -12.654 261 2HD2 ASN 35 2HD2 ASN 35 21.942 -1.729 -12.895 262 H LEU 36 HN LEU 36 18.228 3.056 -11.195 263 HA LEU 36 HA LEU 36 16.071 1.412 -11.873 264 1HB LEU 36 HB2 LEU 36 16.119 3.436 -10.282 265 2HB LEU 36 HB1 LEU 36 15.908 4.420 -11.717 266 HG LEU 36 HG LEU 36 13.959 2.218 -11.327 267 1HD1 LEU 36 1HD1 LEU 36 14.182 3.096 -9.058 268 2HD1 LEU 36 3HD1 LEU 36 13.903 4.731 -9.659 269 3HD1 LEU 36 2HD1 LEU 36 12.623 3.522 -9.764 270 1HD2 LEU 36 2HD2 LEU 36 13.775 5.094 -12.217 271 2HD2 LEU 36 1HD2 LEU 36 13.777 3.666 -13.251 272 3HD2 LEU 36 3HD2 LEU 36 12.423 3.965 -12.162 273 H TYR 37 HN TYR 37 17.537 4.189 -13.452 274 HA TYR 37 HA TYR 37 15.902 4.202 -15.769 275 1HB TYR 37 HB2 TYR 37 18.469 5.451 -14.951 276 2HB TYR 37 HB1 TYR 37 18.191 5.303 -16.682 277 HD1 TYR 37 HD1 TYR 37 17.275 7.044 -13.640 278 HD2 TYR 37 HD2 TYR 37 16.223 6.420 -17.715 279 HE1 TYR 37 HE1 TYR 37 15.870 9.061 -13.581 280 HE2 TYR 37 HE2 TYR 37 14.817 8.435 -17.667 281 HH TYR 37 HH TYR 37 15.007 10.771 -15.776 282 H GLU 38 HN GLU 38 18.853 2.509 -14.864 283 HA GLU 38 HA GLU 38 19.618 1.532 -17.367 284 1HB GLU 38 HB2 GLU 38 20.158 0.787 -14.565 285 2HB GLU 38 HB1 GLU 38 20.412 -0.489 -15.746 286 1HG GLU 38 HG2 GLU 38 22.487 0.557 -15.515 287 2HG GLU 38 HG1 GLU 38 21.827 1.177 -17.027 288 H LYS 39 HN LYS 39 17.722 -0.197 -14.900 289 HA LYS 39 HA LYS 39 17.126 -2.411 -16.521 290 1HB LYS 39 HB2 LYS 39 15.616 -3.092 -14.824 291 2HB LYS 39 HB1 LYS 39 16.957 -2.296 -14.015 292 1HG LYS 39 HG2 LYS 39 15.552 -0.918 -13.006 293 2HG LYS 39 HG1 LYS 39 14.966 -0.341 -14.567 294 1HD LYS 39 HD2 LYS 39 13.057 -1.146 -13.455 295 2HD LYS 39 HD1 LYS 39 13.488 -2.415 -14.602 296 1HE LYS 39 HE2 LYS 39 14.811 -2.754 -12.039 297 2HE LYS 39 HE1 LYS 39 13.057 -2.719 -11.880 298 1HZ LYS 39 HZ3 LYS 39 14.396 -4.427 -13.891 299 2HZ LYS 39 HZ2 LYS 39 14.149 -4.955 -12.304 300 3HZ LYS 39 HZ1 LYS 39 12.825 -4.558 -13.276 301 H THR 40 HN THR 40 15.984 0.748 -16.844 302 HA THR 40 HA THR 40 13.305 0.162 -17.662 303 HB THR 40 HB THR 40 14.946 2.593 -18.385 304 HG1 THR 40 HG1 THR 40 13.403 2.086 -16.061 305 1HG2 THR 40 2HG2 THR 40 11.979 2.174 -18.151 306 2HG2 THR 40 1HG2 THR 40 12.760 3.746 -18.319 307 3HG2 THR 40 3HG2 THR 40 12.896 2.552 -19.610 308 H TYR 41 HN TYR 41 16.353 0.727 -19.334 309 HA TYR 41 HA TYR 41 15.345 0.552 -21.969 310 1HB TYR 41 HB2 TYR 41 18.162 -0.235 -21.290 311 2HB TYR 41 HB1 TYR 41 17.562 0.630 -22.699 312 HD1 TYR 41 HD1 TYR 41 16.241 2.935 -21.859 313 HD2 TYR 41 HD2 TYR 41 19.531 1.027 -19.951 314 HE1 TYR 41 HE1 TYR 41 16.857 5.067 -20.802 315 HE2 TYR 41 HE2 TYR 41 20.156 3.154 -18.889 316 HH TYR 41 HH TYR 41 19.498 5.909 -19.758 317 H LEU 42 HN LEU 42 16.887 -1.873 -19.863 318 HA LEU 42 HA LEU 42 16.553 -3.960 -21.836 319 1HB LEU 42 HB2 LEU 42 17.553 -3.993 -18.992 320 2HB LEU 42 HB1 LEU 42 17.468 -5.422 -20.006 321 HG LEU 42 HG LEU 42 18.903 -3.804 -21.622 322 1HD1 LEU 42 1HD1 LEU 42 19.485 -2.943 -18.801 323 2HD1 LEU 42 3HD1 LEU 42 20.642 -2.757 -20.118 324 3HD1 LEU 42 2HD1 LEU 42 19.083 -1.936 -20.191 325 1HD2 LEU 42 1HD2 LEU 42 19.447 -6.101 -20.918 326 2HD2 LEU 42 3HD2 LEU 42 20.854 -5.038 -20.894 327 3HD2 LEU 42 2HD2 LEU 42 20.051 -5.471 -19.385 328 HA PRO 43 HA PRO 43 12.670 -5.442 -20.251 329 1HB PRO 43 HB2 PRO 43 12.434 -7.646 -21.727 330 2HB PRO 43 HB1 PRO 43 12.463 -6.049 -22.482 331 1HG PRO 43 HG2 PRO 43 14.600 -8.118 -22.342 332 2HG PRO 43 HG1 PRO 43 14.229 -6.970 -23.639 333 1HD PRO 43 HD2 PRO 43 16.222 -6.695 -21.655 334 2HD PRO 43 HD1 PRO 43 15.673 -5.445 -22.788 335 H ALA 44 HN ALA 44 15.174 -6.236 -18.710 336 HA ALA 44 HA ALA 44 15.028 -8.965 -17.999 337 1HB ALA 44 HB3 ALA 44 16.127 -6.659 -16.400 338 2HB ALA 44 HB2 ALA 44 16.459 -8.369 -16.126 339 3HB ALA 44 HB1 ALA 44 17.011 -7.591 -17.610 340 H VAL 45 HN VAL 45 13.001 -6.343 -17.168 341 HA VAL 45 HA VAL 45 12.182 -6.710 -14.610 342 HB VAL 45 HB VAL 45 9.869 -6.024 -15.360 343 1HG1 VAL 45 2HG1 VAL 45 12.355 -4.494 -16.006 344 2HG1 VAL 45 1HG1 VAL 45 10.769 -3.797 -16.339 345 3HG1 VAL 45 3HG1 VAL 45 11.200 -4.259 -14.694 346 1HG2 VAL 45 1HG2 VAL 45 11.190 -6.274 -18.045 347 2HG2 VAL 45 3HG2 VAL 45 9.624 -6.890 -17.518 348 3HG2 VAL 45 2HG2 VAL 45 9.849 -5.161 -17.778 349 H ASP 46 HN ASP 46 10.987 -8.563 -17.412 350 HA ASP 46 HA ASP 46 9.262 -10.198 -15.822 351 1HB ASP 46 HB2 ASP 46 9.011 -9.663 -18.308 352 2HB ASP 46 HB1 ASP 46 10.263 -10.869 -18.586 353 H GLU 47 HN GLU 47 12.572 -10.493 -17.012 354 HA GLU 47 HA GLU 47 12.870 -13.268 -16.451 355 1HB GLU 47 HB2 GLU 47 14.359 -11.687 -17.888 356 2HB GLU 47 HB1 GLU 47 15.166 -11.331 -16.369 357 1HG GLU 47 HG2 GLU 47 14.856 -14.078 -17.563 358 2HG GLU 47 HG1 GLU 47 16.301 -13.075 -17.677 359 H LYS 48 HN LYS 48 14.126 -10.429 -14.676 360 HA LYS 48 HA LYS 48 15.100 -11.742 -12.443 361 1HB LYS 48 HB2 LYS 48 13.841 -8.999 -12.601 362 2HB LYS 48 HB1 LYS 48 14.795 -9.584 -11.246 363 1HG LYS 48 HG2 LYS 48 16.755 -9.309 -12.329 364 2HG LYS 48 HG1 LYS 48 16.076 -9.742 -13.900 365 1HD LYS 48 HD2 LYS 48 15.229 -7.591 -14.257 366 2HD LYS 48 HD1 LYS 48 15.352 -7.161 -12.551 367 1HE LYS 48 HE2 LYS 48 17.885 -7.881 -13.870 368 2HE LYS 48 HE1 LYS 48 17.126 -6.398 -14.444 369 1HZ LYS 48 HZ2 LYS 48 17.058 -5.604 -12.151 370 2HZ LYS 48 HZ1 LYS 48 17.824 -7.018 -11.624 371 3HZ LYS 48 HZ3 LYS 48 18.643 -5.940 -12.638 372 H LEU 49 HN LEU 49 11.792 -11.042 -13.293 373 HA LEU 49 HA LEU 49 10.616 -11.257 -10.740 374 1HB LEU 49 HB2 LEU 49 9.698 -11.276 -13.531 375 2HB LEU 49 HB1 LEU 49 8.695 -12.223 -12.450 376 HG LEU 49 HG LEU 49 9.420 -9.373 -11.822 377 1HD1 LEU 49 2HD1 LEU 49 8.370 -9.437 -14.045 378 2HD1 LEU 49 1HD1 LEU 49 7.004 -10.315 -13.358 379 3HD1 LEU 49 3HD1 LEU 49 7.343 -8.664 -12.839 380 1HD2 LEU 49 1HD2 LEU 49 8.537 -10.738 -9.999 381 2HD2 LEU 49 3HD2 LEU 49 7.391 -9.483 -10.468 382 3HD2 LEU 49 2HD2 LEU 49 7.132 -11.151 -10.980 383 H ARG 50 HN ARG 50 10.557 -13.665 -13.377 384 HA ARG 50 HA ARG 50 9.853 -15.828 -11.706 385 1HB ARG 50 HB2 ARG 50 10.908 -15.560 -14.491 386 2HB ARG 50 HB1 ARG 50 10.934 -17.146 -13.734 387 1HG ARG 50 HG2 ARG 50 8.524 -15.419 -14.252 388 2HG ARG 50 HG1 ARG 50 8.941 -16.941 -15.039 389 1HD ARG 50 HD2 ARG 50 8.047 -16.486 -12.205 390 2HD ARG 50 HD1 ARG 50 7.271 -17.460 -13.451 391 HE ARG 50 HE ARG 50 9.625 -18.710 -13.163 392 1HH1 ARG 50 1HH1 ARG 50 7.272 -17.638 -10.801 393 2HH1 ARG 50 2HH1 ARG 50 7.676 -18.873 -9.659 394 1HH2 ARG 50 1HH2 ARG 50 10.150 -20.335 -11.653 395 2HH2 ARG 50 2HH2 ARG 50 9.309 -20.404 -10.141 396 H ASP 51 HN ASP 51 12.923 -14.417 -12.639 397 HA ASP 51 HA ASP 51 14.681 -16.467 -11.959 398 1HB ASP 51 HB2 ASP 51 15.209 -14.234 -13.078 399 2HB ASP 51 HB1 ASP 51 15.247 -13.544 -11.460 400 H LEU 52 HN LEU 52 13.815 -13.679 -9.906 401 HA LEU 52 HA LEU 52 14.958 -14.799 -7.561 402 1HB LEU 52 HB2 LEU 52 13.284 -12.426 -8.197 403 2HB LEU 52 HB1 LEU 52 13.355 -12.947 -6.525 404 HG LEU 52 HG LEU 52 15.869 -12.799 -6.687 405 1HD1 LEU 52 1HD1 LEU 52 15.208 -11.377 -9.263 406 2HD1 LEU 52 3HD1 LEU 52 16.788 -11.406 -8.481 407 3HD1 LEU 52 2HD1 LEU 52 16.087 -12.898 -9.105 408 1HD2 LEU 52 2HD2 LEU 52 14.279 -10.275 -7.129 409 2HD2 LEU 52 1HD2 LEU 52 14.540 -11.085 -5.584 410 3HD2 LEU 52 3HD2 LEU 52 15.901 -10.364 -6.442 411 H TYR 53 HN TYR 53 11.895 -15.247 -9.095 412 HA TYR 53 HA TYR 53 10.360 -15.914 -6.805 413 1HB TYR 53 HB2 TYR 53 10.034 -16.054 -9.715 414 2HB TYR 53 HB1 TYR 53 9.232 -17.366 -8.861 415 HD1 TYR 53 HD1 TYR 53 9.699 -13.721 -8.139 416 HD2 TYR 53 HD2 TYR 53 6.974 -16.947 -8.658 417 HE1 TYR 53 HE1 TYR 53 7.828 -12.218 -7.605 418 HE2 TYR 53 HE2 TYR 53 5.096 -15.452 -8.126 419 HH TYR 53 HH TYR 53 5.133 -12.923 -6.590 420 H SER 54 HN SER 54 12.188 -17.895 -9.131 421 HA SER 54 HA SER 54 11.575 -20.402 -8.022 422 1HB SER 54 HB2 SER 54 14.101 -19.592 -9.486 423 2HB SER 54 HB1 SER 54 13.509 -21.238 -9.265 424 HG SER 54 HG SER 54 12.443 -20.913 -11.037 425 H LYS 55 HN LYS 55 14.389 -18.278 -7.483 426 HA LYS 55 HA LYS 55 15.683 -19.902 -5.589 427 1HB LYS 55 HB2 LYS 55 15.780 -16.932 -6.104 428 2HB LYS 55 HB1 LYS 55 16.780 -17.709 -4.884 429 1HG LYS 55 HG2 LYS 55 18.258 -18.341 -6.407 430 2HG LYS 55 HG1 LYS 55 17.004 -19.102 -7.389 431 1HD LYS 55 HD2 LYS 55 17.764 -17.505 -8.850 432 2HD LYS 55 HD1 LYS 55 16.467 -16.616 -8.052 433 1HE LYS 55 HE2 LYS 55 18.628 -16.147 -6.418 434 2HE LYS 55 HE1 LYS 55 19.348 -16.158 -8.027 435 1HZ LYS 55 HZ3 LYS 55 17.015 -14.507 -7.219 436 2HZ LYS 55 HZ2 LYS 55 18.604 -13.944 -7.355 437 3HZ LYS 55 HZ1 LYS 55 17.779 -14.485 -8.728 438 H SER 56 HN SER 56 13.368 -17.236 -5.175 439 HA SER 56 HA SER 56 13.419 -17.150 -2.369 440 1HB SER 56 HB2 SER 56 11.392 -16.279 -4.410 441 2HB SER 56 HB1 SER 56 11.075 -16.114 -2.683 442 HG SER 56 HG SER 56 12.939 -14.795 -4.292 443 H THR 57 HN THR 57 11.829 -19.433 -4.487 444 HA THR 57 HA THR 57 9.722 -20.264 -2.862 445 HB THR 57 HB THR 57 11.390 -21.948 -4.745 446 HG1 THR 57 HG1 THR 57 10.552 -20.541 -6.086 447 1HG2 THR 57 2HG2 THR 57 8.634 -22.381 -3.631 448 2HG2 THR 57 1HG2 THR 57 9.264 -23.218 -5.049 449 3HG2 THR 57 3HG2 THR 57 10.042 -23.433 -3.481 450 H ALA 58 HN ALA 58 13.120 -21.299 -2.892 451 HA ALA 58 HA ALA 58 12.879 -23.390 -1.023 452 1HB ALA 58 HB1 ALA 58 15.314 -23.157 -0.737 453 2HB ALA 58 HB3 ALA 58 14.834 -23.176 -2.434 454 3HB ALA 58 HB2 ALA 58 15.262 -21.652 -1.656 455 H ALA 59 HN ALA 59 13.974 -20.020 -0.530 456 HA ALA 59 HA ALA 59 14.213 -20.191 2.269 457 1HB ALA 59 HB2 ALA 59 14.234 -17.738 2.233 458 2HB ALA 59 HB3 ALA 59 13.703 -17.763 0.551 459 3HB ALA 59 HB1 ALA 59 15.279 -18.422 0.988 460 H MET 60 HN MET 60 11.515 -19.144 0.214 461 HA MET 60 HA MET 60 9.808 -18.261 2.255 462 1HB MET 60 HB2 MET 60 9.609 -17.938 -0.287 463 2HB MET 60 HB1 MET 60 8.819 -19.508 -0.297 464 1HG MET 60 HG2 MET 60 7.141 -17.822 -0.254 465 2HG MET 60 HG1 MET 60 7.156 -18.622 1.315 466 1HE MET 60 HE2 MET 60 7.248 -17.771 3.269 467 2HE MET 60 HE1 MET 60 8.781 -16.966 3.603 468 3HE MET 60 HE3 MET 60 7.268 -16.071 3.734 469 H SER 61 HN SER 61 10.425 -21.509 1.035 470 HA SER 61 HA SER 61 8.129 -22.736 2.149 471 1HB SER 61 HB2 SER 61 9.087 -24.792 1.543 472 2HB SER 61 HB1 SER 61 9.754 -23.662 0.367 473 HG SER 61 HG SER 61 11.689 -23.812 1.290 474 H THR 62 HN THR 62 11.093 -21.683 3.576 475 HA THR 62 HA THR 62 10.614 -23.271 5.992 476 HB THR 62 HB THR 62 12.850 -22.338 6.711 477 HG1 THR 62 HG1 THR 62 13.410 -20.670 5.550 478 1HG2 THR 62 2HG2 THR 62 12.673 -24.563 5.664 479 2HG2 THR 62 1HG2 THR 62 12.946 -23.811 4.092 480 3HG2 THR 62 3HG2 THR 62 14.203 -23.750 5.328 481 H TYR 63 HN TYR 63 11.160 -19.904 4.977 482 HA TYR 63 HA TYR 63 10.615 -18.737 7.468 483 1HB TYR 63 HB2 TYR 63 11.328 -17.847 4.849 484 2HB TYR 63 HB1 TYR 63 9.941 -16.910 5.394 485 HD1 TYR 63 HD1 TYR 63 13.096 -16.324 4.985 486 HD2 TYR 63 HD2 TYR 63 10.491 -16.788 8.318 487 HE1 TYR 63 HE1 TYR 63 14.590 -14.919 6.342 488 HE2 TYR 63 HE2 TYR 63 11.977 -15.384 9.682 489 HH TYR 63 HH TYR 63 14.864 -14.833 9.288 490 H THR 64 HN THR 64 8.521 -20.242 5.222 491 HA THR 64 HA THR 64 6.236 -18.600 5.660 492 HB THR 64 HB THR 64 6.736 -21.260 4.428 493 HG1 THR 64 HG1 THR 64 6.452 -19.953 2.826 494 1HG2 THR 64 1HG2 THR 64 4.030 -20.451 5.446 495 2HG2 THR 64 3HG2 THR 64 4.256 -21.559 4.092 496 3HG2 THR 64 2HG2 THR 64 4.881 -21.977 5.687 497 H GLY 65 HN GLY 65 7.205 -21.756 6.980 498 1HA GLY 65 HA1 GLY 65 6.597 -22.805 8.941 499 2HA GLY 65 HA2 GLY 65 5.147 -21.804 8.952 500 H ILE 66 HN ILE 66 8.469 -20.649 8.848 501 HA ILE 66 HA ILE 66 8.800 -20.117 11.603 502 HB ILE 66 HB ILE 66 10.142 -18.914 9.181 503 1HG1 ILE 66 2HG1 ILE 66 10.551 -21.323 9.633 504 2HG1 ILE 66 1HG1 ILE 66 12.007 -20.346 9.785 505 1HG2 ILE 66 2HG2 ILE 66 10.601 -18.393 12.098 506 2HG2 ILE 66 1HG2 ILE 66 11.893 -18.202 10.913 507 3HG2 ILE 66 3HG2 ILE 66 10.424 -17.236 10.779 508 1HD1 ILE 66 2HD1 ILE 66 11.723 -20.364 12.231 509 2HD1 ILE 66 1HD1 ILE 66 10.322 -21.418 12.035 510 3HD1 ILE 66 3HD1 ILE 66 11.922 -21.977 11.548 511 H PHE 67 HN PHE 67 8.139 -17.838 8.921 512 HA PHE 67 HA PHE 67 7.694 -15.553 10.417 513 1HB PHE 67 HB2 PHE 67 6.649 -16.473 7.767 514 2HB PHE 67 HB1 PHE 67 5.975 -15.018 8.486 515 HD1 PHE 67 HD1 PHE 67 8.434 -13.906 9.772 516 HD2 PHE 67 HD2 PHE 67 7.812 -15.632 5.931 517 HE1 PHE 67 HE1 PHE 67 10.309 -12.587 8.878 518 HE2 PHE 67 HE2 PHE 67 9.687 -14.319 5.033 519 HZ PHE 67 HZ PHE 67 10.938 -12.793 6.506 520 H THR 68 HN THR 68 5.175 -17.782 9.243 521 HA THR 68 HA THR 68 3.076 -16.607 10.699 522 HB THR 68 HB THR 68 3.173 -19.468 9.755 523 HG1 THR 68 HG1 THR 68 3.460 -18.598 7.867 524 1HG2 THR 68 3HG2 THR 68 0.936 -17.547 10.283 525 2HG2 THR 68 2HG2 THR 68 0.743 -18.949 9.232 526 3HG2 THR 68 1HG2 THR 68 1.175 -19.171 10.928 527 H ASP 69 HN ASP 69 5.592 -18.673 11.732 528 HA ASP 69 HA ASP 69 4.351 -20.130 13.769 529 1HB ASP 69 HB2 ASP 69 6.946 -19.861 12.876 530 2HB ASP 69 HB1 ASP 69 7.026 -19.170 14.492 531 H GLN 70 HN GLN 70 6.142 -17.056 14.119 532 HA GLN 70 HA GLN 70 5.234 -16.618 16.780 533 1HB GLN 70 HB2 GLN 70 7.173 -15.499 15.112 534 2HB GLN 70 HB1 GLN 70 6.041 -14.188 15.412 535 1HG GLN 70 HG2 GLN 70 7.433 -15.833 17.516 536 2HG GLN 70 HG1 GLN 70 7.864 -14.196 17.026 537 1HE2 GLN 70 1HE2 GLN 70 6.321 -12.496 17.438 538 2HE2 GLN 70 2HE2 GLN 70 5.223 -12.638 18.763 539 H VAL 71 HN VAL 71 3.912 -15.890 13.665 540 HA VAL 71 HA VAL 71 2.172 -13.775 14.429 541 HB VAL 71 HB VAL 71 1.939 -15.734 12.131 542 1HG1 VAL 71 2HG1 VAL 71 0.389 -13.239 12.780 543 2HG1 VAL 71 1HG1 VAL 71 0.464 -13.923 11.155 544 3HG1 VAL 71 3HG1 VAL 71 -0.229 -14.863 12.478 545 1HG2 VAL 71 3HG2 VAL 71 3.923 -14.018 12.375 546 2HG2 VAL 71 2HG2 VAL 71 3.132 -14.281 10.821 547 3HG2 VAL 71 1HG2 VAL 71 2.708 -12.876 11.800 548 H LEU 72 HN LEU 72 1.644 -17.233 13.850 549 HA LEU 72 HA LEU 72 -1.002 -17.383 14.746 550 1HB LEU 72 HB2 LEU 72 0.315 -19.161 13.500 551 2HB LEU 72 HB1 LEU 72 1.068 -19.562 15.032 552 HG LEU 72 HG LEU 72 -1.290 -19.974 15.919 553 1HD1 LEU 72 1HD1 LEU 72 -2.467 -18.799 14.103 554 2HD1 LEU 72 3HD1 LEU 72 -1.920 -20.035 12.971 555 3HD1 LEU 72 2HD1 LEU 72 -3.008 -20.467 14.290 556 1HD2 LEU 72 2HD2 LEU 72 0.402 -21.715 15.252 557 2HD2 LEU 72 1HD2 LEU 72 -1.285 -22.224 15.172 558 3HD2 LEU 72 3HD2 LEU 72 -0.420 -21.804 13.693 559 H SER 73 HN SER 73 2.084 -17.416 16.413 560 HA SER 73 HA SER 73 1.236 -18.280 18.932 561 1HB SER 73 HB2 SER 73 3.635 -17.878 18.105 562 2HB SER 73 HB1 SER 73 3.374 -16.192 18.546 563 HG SER 73 HG SER 73 3.497 -16.703 20.594 564 H VAL 74 HN VAL 74 1.208 -15.048 17.499 565 HA VAL 74 HA VAL 74 0.302 -13.770 19.896 566 HB VAL 74 HB VAL 74 0.024 -11.781 18.656 567 1HG1 VAL 74 3HG1 VAL 74 2.386 -13.098 18.670 568 2HG1 VAL 74 2HG1 VAL 74 2.190 -12.782 16.946 569 3HG1 VAL 74 1HG1 VAL 74 2.169 -11.445 18.096 570 1HG2 VAL 74 2HG2 VAL 74 -0.963 -13.429 16.621 571 2HG2 VAL 74 1HG2 VAL 74 -0.857 -11.669 16.622 572 3HG2 VAL 74 3HG2 VAL 74 0.454 -12.631 15.941 573 H LEU 75 HN LEU 75 -1.243 -15.710 17.549 574 HA LEU 75 HA LEU 75 -3.844 -14.605 17.601 575 1HB LEU 75 HB2 LEU 75 -2.832 -16.392 16.020 576 2HB LEU 75 HB1 LEU 75 -3.304 -17.536 17.262 577 HG LEU 75 HG LEU 75 -5.663 -16.574 17.034 578 1HD1 LEU 75 3HD1 LEU 75 -4.419 -15.460 14.524 579 2HD1 LEU 75 2HD1 LEU 75 -6.153 -15.569 14.829 580 3HD1 LEU 75 1HD1 LEU 75 -5.141 -14.543 15.846 581 1HD2 LEU 75 2HD2 LEU 75 -4.993 -18.778 16.198 582 2HD2 LEU 75 1HD2 LEU 75 -6.166 -18.005 15.132 583 3HD2 LEU 75 3HD2 LEU 75 -4.460 -18.039 14.688 584 H LYS 76 HN LYS 76 -2.152 -16.891 19.613 585 HA LYS 76 HA LYS 76 -4.398 -17.690 21.179 586 1HB LYS 76 HB2 LYS 76 -1.432 -17.853 21.747 587 2HB LYS 76 HB1 LYS 76 -2.677 -18.607 22.734 588 1HG LYS 76 HG2 LYS 76 -2.456 -20.406 21.460 589 2HG LYS 76 HG1 LYS 76 -3.217 -19.488 20.159 590 1HD LYS 76 HD2 LYS 76 -0.898 -18.629 19.596 591 2HD LYS 76 HD1 LYS 76 -0.278 -19.857 20.703 592 1HE LYS 76 HE2 LYS 76 -1.611 -21.537 19.336 593 2HE LYS 76 HE1 LYS 76 -1.812 -20.252 18.145 594 1HZ LYS 76 HZ3 LYS 76 0.793 -21.310 19.108 595 2HZ LYS 76 HZ2 LYS 76 0.069 -21.688 17.626 596 3HZ LYS 76 HZ1 LYS 76 0.583 -20.106 17.936 597 H GLY 77 HN GLY 77 -1.758 -15.352 21.695 598 1HA GLY 77 HA1 GLY 77 -1.542 -13.601 23.163 599 2HA GLY 77 HA2 GLY 77 -2.533 -14.530 24.277 600 H GLU 78 HN GLU 78 -3.297 -13.153 21.085 601 HA GLU 78 HA GLU 78 -4.877 -11.024 22.133 602 1HB GLU 78 HB2 GLU 78 -3.861 -10.778 19.962 603 2HB GLU 78 HB1 GLU 78 -4.674 -12.216 19.363 604 1HG GLU 78 HG2 GLU 78 -6.364 -9.993 20.366 605 2HG GLU 78 HG1 GLU 78 -5.533 -9.771 18.827 606 H GLU 79 HN GLU 79 -5.798 -13.974 20.330 607 HA GLU 79 HA GLU 79 -8.521 -13.709 21.380 608 1HB GLU 79 HB2 GLU 79 -8.074 -13.997 18.898 609 2HB GLU 79 HB1 GLU 79 -7.564 -15.638 19.264 610 1HG GLU 79 HG2 GLU 79 -10.261 -14.610 20.070 611 2HG GLU 79 HG1 GLU 79 -9.959 -15.273 18.466 No H/Q in entry = 611 Start of MODEL 42 1 H1 THR 1 HT3 THR 1 27.549 -17.675 32.416 2 H2 THR 1 HT2 THR 1 27.781 -19.088 31.470 3 H3 THR 1 HT1 THR 1 29.129 -18.289 32.169 4 HA THR 1 HA THR 1 28.815 -16.410 30.809 5 HB THR 1 HB THR 1 29.084 -17.582 28.550 6 HG1 THR 1 HG1 THR 1 28.100 -19.466 28.635 7 1HG2 THR 1 3HG2 THR 1 30.987 -17.121 30.099 8 2HG2 THR 1 2HG2 THR 1 30.789 -18.758 30.724 9 3HG2 THR 1 1HG2 THR 1 31.209 -18.506 29.030 10 H GLN 2 HN GLN 2 27.443 -15.054 29.843 11 HA GLN 2 HA GLN 2 25.621 -14.196 28.792 12 1HB GLN 2 HB2 GLN 2 25.973 -16.577 27.495 13 2HB GLN 2 HB1 GLN 2 24.331 -16.749 28.098 14 1HG GLN 2 HG2 GLN 2 25.110 -14.242 26.692 15 2HG GLN 2 HG1 GLN 2 24.797 -15.700 25.754 16 1HE2 GLN 2 1HE2 GLN 2 22.696 -16.795 26.234 17 2HE2 GLN 2 2HE2 GLN 2 21.324 -15.785 26.526 18 H GLN 3 HN GLN 3 23.592 -13.564 29.403 19 HA GLN 3 HA GLN 3 22.612 -14.690 31.901 20 1HB GLN 3 HB2 GLN 3 22.123 -12.157 30.378 21 2HB GLN 3 HB1 GLN 3 20.957 -12.673 31.588 22 1HG GLN 3 HG2 GLN 3 22.302 -11.314 32.834 23 2HG GLN 3 HG1 GLN 3 23.064 -12.878 33.114 24 1HE2 GLN 3 1HE2 GLN 3 23.427 -9.725 31.829 25 2HE2 GLN 3 2HE2 GLN 3 25.062 -9.886 31.295 26 HA PRO 4 HA PRO 4 19.059 -16.921 30.551 27 1HB PRO 4 HB2 PRO 4 17.312 -14.961 31.961 28 2HB PRO 4 HB1 PRO 4 17.374 -16.721 32.103 29 1HG PRO 4 HG2 PRO 4 18.416 -15.174 34.000 30 2HG PRO 4 HG1 PRO 4 19.219 -16.677 33.508 31 1HD PRO 4 HD2 PRO 4 19.917 -13.849 32.853 32 2HD PRO 4 HD1 PRO 4 20.984 -15.233 33.163 33 H GLN 5 HN GLN 5 18.778 -13.396 30.296 34 HA GLN 5 HA GLN 5 16.714 -13.435 28.323 35 1HB GLN 5 HB2 GLN 5 18.651 -11.256 29.126 36 2HB GLN 5 HB1 GLN 5 17.301 -11.028 28.024 37 1HG GLN 5 HG2 GLN 5 16.282 -10.333 29.906 38 2HG GLN 5 HG1 GLN 5 15.975 -12.060 30.097 39 1HE2 GLN 5 1HE2 GLN 5 16.651 -13.015 31.903 40 2HE2 GLN 5 2HE2 GLN 5 17.736 -12.325 33.056 41 H GLN 6 HN GLN 6 16.870 -13.735 26.192 42 HA GLN 6 HA GLN 6 19.331 -14.463 24.987 43 1HB GLN 6 HB2 GLN 6 18.050 -14.604 22.893 44 2HB GLN 6 HB1 GLN 6 17.230 -15.417 24.216 45 1HG GLN 6 HG2 GLN 6 15.422 -14.310 23.548 46 2HG GLN 6 HG1 GLN 6 16.150 -12.908 24.329 47 1HE2 GLN 6 1HE2 GLN 6 16.090 -14.649 21.240 48 2HE2 GLN 6 2HE2 GLN 6 16.232 -13.242 20.248 49 H ASP 7 HN ASP 7 17.412 -11.494 24.944 50 HA ASP 7 HA ASP 7 18.949 -10.183 22.940 51 1HB ASP 7 HB2 ASP 7 16.551 -9.687 24.221 52 2HB ASP 7 HB1 ASP 7 17.597 -8.400 24.812 53 H GLU 8 HN GLU 8 20.027 -11.105 25.895 54 HA GLU 8 HA GLU 8 21.237 -8.729 26.870 55 1HB GLU 8 HB2 GLU 8 20.798 -10.724 28.272 56 2HB GLU 8 HB1 GLU 8 22.028 -11.603 27.375 57 1HG GLU 8 HG2 GLU 8 22.836 -9.041 28.617 58 2HG GLU 8 HG1 GLU 8 22.513 -10.399 29.694 59 H MET 9 HN MET 9 22.467 -11.444 24.913 60 HA MET 9 HA MET 9 25.101 -10.408 24.691 61 1HB MET 9 HB2 MET 9 24.105 -12.824 24.228 62 2HB MET 9 HB1 MET 9 24.010 -12.212 22.583 63 1HG MET 9 HG2 MET 9 26.094 -12.986 22.408 64 2HG MET 9 HG1 MET 9 26.536 -11.501 23.248 65 1HE MET 9 HE2 MET 9 27.187 -11.312 25.700 66 2HE MET 9 HE1 MET 9 25.638 -11.953 26.249 67 3HE MET 9 HE3 MET 9 27.142 -12.624 26.879 68 HA PRO 10 HA PRO 10 23.778 -8.775 20.367 69 1HB PRO 10 HB2 PRO 10 21.187 -8.823 19.641 70 2HB PRO 10 HB1 PRO 10 22.245 -10.222 19.421 71 1HG PRO 10 HG2 PRO 10 20.240 -9.684 21.578 72 2HG PRO 10 HG1 PRO 10 20.550 -11.186 20.687 73 1HD PRO 10 HD2 PRO 10 21.517 -10.695 23.190 74 2HD PRO 10 HD1 PRO 10 22.328 -11.754 22.020 75 H SER 11 HN SER 11 22.839 -6.734 19.585 76 HA SER 11 HA SER 11 22.506 -4.865 21.719 77 1HB SER 11 HB2 SER 11 22.317 -3.176 19.929 78 2HB SER 11 HB1 SER 11 23.702 -4.237 19.677 79 HG SER 11 HG SER 11 21.415 -3.925 18.171 80 HA PRO 12 HA PRO 12 18.041 -5.166 21.756 81 1HB PRO 12 HB2 PRO 12 17.617 -3.804 24.008 82 2HB PRO 12 HB1 PRO 12 18.397 -5.390 24.036 83 1HG PRO 12 HG2 PRO 12 19.608 -2.674 24.287 84 2HG PRO 12 HG1 PRO 12 20.035 -4.175 25.125 85 1HD PRO 12 HD2 PRO 12 21.344 -3.118 22.892 86 2HD PRO 12 HD1 PRO 12 21.485 -4.784 23.486 87 H THR 13 HN THR 13 19.533 -2.917 20.265 88 HA THR 13 HA THR 13 18.082 -0.518 20.774 89 HB THR 13 HB THR 13 19.024 0.082 18.430 90 HG1 THR 13 HG1 THR 13 20.608 -1.261 17.674 91 1HG2 THR 13 1HG2 THR 13 20.039 0.717 20.659 92 2HG2 THR 13 3HG2 THR 13 21.116 -0.664 20.444 93 3HG2 THR 13 2HG2 THR 13 21.131 0.656 19.276 94 H PHE 14 HN PHE 14 18.122 -2.288 17.682 95 HA PHE 14 HA PHE 14 16.510 -2.834 16.195 96 1HB PHE 14 HB2 PHE 14 14.587 -2.632 18.521 97 2HB PHE 14 HB1 PHE 14 14.302 -3.461 16.994 98 HD1 PHE 14 HD1 PHE 14 16.167 -5.274 16.410 99 HD2 PHE 14 HD2 PHE 14 15.207 -3.903 20.323 100 HE1 PHE 14 HE1 PHE 14 17.104 -7.341 17.361 101 HE2 PHE 14 HE2 PHE 14 16.142 -5.967 21.280 102 HZ PHE 14 HZ PHE 14 17.093 -7.689 19.798 103 H LEU 15 HN LEU 15 14.469 -0.731 18.240 104 HA LEU 15 HA LEU 15 13.405 0.681 16.053 105 1HB LEU 15 HB2 LEU 15 12.440 0.453 18.393 106 2HB LEU 15 HB1 LEU 15 13.555 1.714 18.879 107 HG LEU 15 HG LEU 15 11.826 2.331 16.555 108 1HD1 LEU 15 3HD1 LEU 15 10.259 1.160 18.012 109 2HD1 LEU 15 2HD1 LEU 15 10.733 2.193 19.361 110 3HD1 LEU 15 1HD1 LEU 15 9.916 2.890 17.963 111 1HD2 LEU 15 2HD2 LEU 15 12.758 3.821 19.004 112 2HD2 LEU 15 1HD2 LEU 15 13.345 4.003 17.351 113 3HD2 LEU 15 3HD2 LEU 15 11.707 4.507 17.765 114 H THR 16 HN THR 16 15.643 1.904 18.566 115 HA THR 16 HA THR 16 16.273 4.302 17.279 116 HB THR 16 HB THR 16 16.773 3.859 19.648 117 HG1 THR 16 HG1 THR 16 17.991 5.501 19.087 118 1HG2 THR 16 1HG2 THR 16 17.638 1.535 19.355 119 2HG2 THR 16 3HG2 THR 16 19.127 2.239 18.724 120 3HG2 THR 16 2HG2 THR 16 18.624 2.577 20.380 121 H GLN 17 HN GLN 17 17.565 1.071 16.842 122 HA GLN 17 HA GLN 17 19.916 1.708 15.445 123 1HB GLN 17 HB2 GLN 17 19.036 -0.568 16.391 124 2HB GLN 17 HB1 GLN 17 18.315 -0.743 14.797 125 1HG GLN 17 HG2 GLN 17 20.460 -0.635 13.744 126 2HG GLN 17 HG1 GLN 17 21.242 -0.231 15.271 127 1HE2 GLN 17 1HE2 GLN 17 19.259 -2.754 13.754 128 2HE2 GLN 17 2HE2 GLN 17 20.019 -4.076 14.564 129 H VAL 18 HN VAL 18 16.636 1.009 14.274 130 HA VAL 18 HA VAL 18 16.690 0.849 11.645 131 HB VAL 18 HB VAL 18 14.931 2.795 13.140 132 1HG1 VAL 18 2HG1 VAL 18 14.807 1.789 10.312 133 2HG1 VAL 18 1HG1 VAL 18 13.374 2.363 11.164 134 3HG1 VAL 18 3HG1 VAL 18 14.735 3.451 10.896 135 1HG2 VAL 18 3HG2 VAL 18 14.927 -0.122 12.740 136 2HG2 VAL 18 2HG2 VAL 18 14.227 0.849 14.034 137 3HG2 VAL 18 1HG2 VAL 18 13.373 0.677 12.503 138 H LYS 19 HN LYS 19 17.197 3.996 13.255 139 HA LYS 19 HA LYS 19 17.350 5.633 11.047 140 1HB LYS 19 HB2 LYS 19 18.894 5.773 13.636 141 2HB LYS 19 HB1 LYS 19 18.889 7.063 12.440 142 1HG LYS 19 HG2 LYS 19 16.492 7.337 12.710 143 2HG LYS 19 HG1 LYS 19 16.454 6.000 13.861 144 1HD LYS 19 HD2 LYS 19 16.556 7.760 15.317 145 2HD LYS 19 HD1 LYS 19 18.281 7.469 15.085 146 1HE LYS 19 HE2 LYS 19 18.363 9.226 13.398 147 2HE LYS 19 HE1 LYS 19 16.630 9.498 13.580 148 1HZ LYS 19 HZ3 LYS 19 18.672 9.898 15.701 149 2HZ LYS 19 HZ2 LYS 19 17.917 11.125 14.815 150 3HZ LYS 19 HZ1 LYS 19 17.010 10.164 15.871 151 H GLU 20 HN GLU 20 20.042 3.845 12.542 152 HA GLU 20 HA GLU 20 22.010 4.705 10.715 153 1HB GLU 20 HB2 GLU 20 21.909 2.180 12.371 154 2HB GLU 20 HB1 GLU 20 23.335 2.784 11.541 155 1HG GLU 20 HG2 GLU 20 23.791 3.688 13.540 156 2HG GLU 20 HG1 GLU 20 22.690 4.952 12.995 157 H SER 21 HN SER 21 19.657 2.139 10.617 158 HA SER 21 HA SER 21 20.763 0.612 8.520 159 1HB SER 21 HB2 SER 21 18.894 -0.668 8.703 160 2HB SER 21 HB1 SER 21 18.622 0.284 10.161 161 HG SER 21 HG SER 21 17.096 1.432 9.150 162 H LEU 22 HN LEU 22 18.584 3.396 8.534 163 HA LEU 22 HA LEU 22 18.112 3.404 5.725 164 1HB LEU 22 HB2 LEU 22 17.824 5.601 7.776 165 2HB LEU 22 HB1 LEU 22 17.246 5.698 6.123 166 HG LEU 22 HG LEU 22 16.262 3.368 7.631 167 1HD1 LEU 22 3HD1 LEU 22 15.446 6.166 8.400 168 2HD1 LEU 22 2HD1 LEU 22 14.591 4.694 8.861 169 3HD1 LEU 22 1HD1 LEU 22 16.236 4.974 9.434 170 1HD2 LEU 22 3HD2 LEU 22 15.488 3.921 5.384 171 2HD2 LEU 22 2HD2 LEU 22 14.168 4.011 6.550 172 3HD2 LEU 22 1HD2 LEU 22 14.923 5.490 5.956 173 H SER 23 HN SER 23 20.422 5.049 7.847 174 HA SER 23 HA SER 23 21.517 6.817 5.975 175 1HB SER 23 HB2 SER 23 22.952 5.478 8.283 176 2HB SER 23 HB1 SER 23 23.451 6.958 7.464 177 HG SER 23 HG SER 23 21.470 6.551 9.350 178 H SER 24 HN SER 24 22.621 3.563 6.915 179 HA SER 24 HA SER 24 24.718 3.412 5.027 180 1HB SER 24 HB2 SER 24 23.150 1.163 6.316 181 2HB SER 24 HB1 SER 24 24.697 0.992 5.488 182 HG SER 24 HG SER 24 24.124 2.029 7.998 183 H TYR 25 HN TYR 25 21.306 3.146 4.695 184 HA TYR 25 HA TYR 25 21.308 1.520 2.328 185 1HB TYR 25 HB2 TYR 25 19.385 2.164 4.130 186 2HB TYR 25 HB1 TYR 25 18.997 3.296 2.840 187 HD1 TYR 25 HD1 TYR 25 18.531 2.389 0.531 188 HD2 TYR 25 HD2 TYR 25 18.824 -0.121 3.954 189 HE1 TYR 25 HE1 TYR 25 17.356 0.604 -0.684 190 HE2 TYR 25 HE2 TYR 25 17.651 -1.914 2.748 191 HH TYR 25 HH TYR 25 17.417 -2.329 -0.158 192 H TRP 26 HN TRP 26 21.025 4.987 3.036 193 HA TRP 26 HA TRP 26 20.622 5.853 0.384 194 1HB TRP 26 HB2 TRP 26 21.823 7.312 2.746 195 2HB TRP 26 HB1 TRP 26 21.358 8.079 1.231 196 HD1 TRP 26 HD1 TRP 26 20.078 7.794 4.537 197 HE1 TRP 26 HE1 TRP 26 17.512 7.965 4.630 198 HE3 TRP 26 HE3 TRP 26 19.032 6.985 -0.402 199 HZ2 TRP 26 HZ2 TRP 26 15.332 7.782 2.844 200 HZ3 TRP 26 HZ3 TRP 26 16.681 7.000 -1.126 201 HH2 TRP 26 HH2 TRP 26 14.870 7.390 0.464 202 H GLU 27 HN GLU 27 23.518 5.171 2.235 203 HA GLU 27 HA GLU 27 25.559 6.335 0.902 204 1HB GLU 27 HB2 GLU 27 25.925 4.870 2.805 205 2HB GLU 27 HB1 GLU 27 25.429 3.470 1.864 206 1HG GLU 27 HG2 GLU 27 27.699 5.072 0.834 207 2HG GLU 27 HG1 GLU 27 27.974 4.094 2.274 208 H SER 28 HN SER 28 24.277 3.130 0.011 209 HA SER 28 HA SER 28 25.416 3.453 -2.667 210 1HB SER 28 HB2 SER 28 25.536 1.320 -1.017 211 2HB SER 28 HB1 SER 28 24.083 0.910 -1.929 212 HG SER 28 HG SER 28 26.727 1.180 -2.804 213 H ALA 29 HN ALA 29 22.561 4.216 -1.222 214 HA ALA 29 HA ALA 29 20.593 3.094 -2.888 215 1HB ALA 29 HB2 ALA 29 19.881 4.158 -0.896 216 2HB ALA 29 HB3 ALA 29 19.224 5.104 -2.230 217 3HB ALA 29 HB1 ALA 29 20.641 5.681 -1.356 218 H LYS 30 HN LYS 30 22.588 5.995 -3.287 219 HA LYS 30 HA LYS 30 21.308 7.169 -5.442 220 1HB LYS 30 HB2 LYS 30 24.163 7.112 -4.547 221 2HB LYS 30 HB1 LYS 30 23.762 7.860 -6.086 222 1HG LYS 30 HG2 LYS 30 23.532 9.704 -4.829 223 2HG LYS 30 HG1 LYS 30 21.932 9.038 -4.500 224 1HD LYS 30 HD2 LYS 30 23.531 7.782 -2.637 225 2HD LYS 30 HD1 LYS 30 24.209 9.409 -2.718 226 1HE LYS 30 HE2 LYS 30 22.582 9.636 -1.090 227 2HE LYS 30 HE1 LYS 30 21.740 10.180 -2.540 228 1HZ LYS 30 HZ3 LYS 30 21.561 7.444 -1.396 229 2HZ LYS 30 HZ2 LYS 30 20.404 8.658 -1.186 230 3HZ LYS 30 HZ1 LYS 30 20.698 8.029 -2.729 231 H THR 31 HN THR 31 23.906 4.738 -5.570 232 HA THR 31 HA THR 31 24.169 4.438 -8.293 233 HB THR 31 HB THR 31 24.139 2.077 -6.410 234 HG1 THR 31 HG1 THR 31 25.582 3.118 -5.308 235 1HG2 THR 31 1HG2 THR 31 25.850 2.713 -8.802 236 2HG2 THR 31 3HG2 THR 31 26.024 1.303 -7.757 237 3HG2 THR 31 2HG2 THR 31 24.563 1.511 -8.722 238 H ALA 32 HN ALA 32 21.732 3.125 -6.124 239 HA ALA 32 HA ALA 32 20.417 1.450 -7.976 240 1HB ALA 32 HB1 ALA 32 18.873 2.822 -5.825 241 2HB ALA 32 HB3 ALA 32 18.809 1.145 -6.365 242 3HB ALA 32 HB2 ALA 32 20.156 1.700 -5.372 243 H ALA 33 HN ALA 33 19.894 4.851 -7.049 244 HA ALA 33 HA ALA 33 17.627 5.427 -8.503 245 1HB ALA 33 HB1 ALA 33 18.889 6.966 -6.944 246 2HB ALA 33 HB3 ALA 33 19.947 7.330 -8.307 247 3HB ALA 33 HB2 ALA 33 18.228 7.714 -8.398 248 H GLN 34 HN GLN 34 20.977 5.719 -9.669 249 HA GLN 34 HA GLN 34 20.259 6.373 -12.323 250 1HB GLN 34 HB2 GLN 34 22.786 5.170 -11.178 251 2HB GLN 34 HB1 GLN 34 22.618 5.646 -12.862 252 1HG GLN 34 HG2 GLN 34 23.574 7.531 -12.065 253 2HG GLN 34 HG1 GLN 34 21.889 7.938 -11.747 254 1HE2 GLN 34 1HE2 GLN 34 21.454 8.638 -9.777 255 2HE2 GLN 34 2HE2 GLN 34 22.392 8.332 -8.359 256 H ASN 35 HN ASN 35 20.847 3.340 -10.643 257 HA ASN 35 HA ASN 35 20.831 1.638 -12.887 258 1HB ASN 35 HB2 ASN 35 21.526 1.072 -10.487 259 2HB ASN 35 HB1 ASN 35 19.809 0.847 -10.162 260 1HD2 ASN 35 1HD2 ASN 35 22.406 -0.197 -12.333 261 2HD2 ASN 35 2HD2 ASN 35 21.810 -1.804 -12.550 262 H LEU 36 HN LEU 36 18.275 3.181 -11.143 263 HA LEU 36 HA LEU 36 16.084 1.598 -11.848 264 1HB LEU 36 HB2 LEU 36 16.200 3.662 -10.280 265 2HB LEU 36 HB1 LEU 36 15.960 4.604 -11.738 266 HG LEU 36 HG LEU 36 13.868 3.107 -12.087 267 1HD1 LEU 36 3HD1 LEU 36 14.415 2.706 -9.152 268 2HD1 LEU 36 2HD1 LEU 36 12.866 2.389 -9.930 269 3HD1 LEU 36 1HD1 LEU 36 14.291 1.461 -10.395 270 1HD2 LEU 36 1HD2 LEU 36 13.979 5.181 -9.900 271 2HD2 LEU 36 3HD2 LEU 36 13.788 5.496 -11.624 272 3HD2 LEU 36 2HD2 LEU 36 12.523 4.644 -10.738 273 H TYR 37 HN TYR 37 17.665 4.313 -13.420 274 HA TYR 37 HA TYR 37 16.062 4.374 -15.756 275 1HB TYR 37 HB2 TYR 37 18.581 5.596 -14.846 276 2HB TYR 37 HB1 TYR 37 18.506 5.320 -16.584 277 HD1 TYR 37 HD1 TYR 37 17.019 6.594 -17.977 278 HD2 TYR 37 HD2 TYR 37 16.976 7.107 -13.753 279 HE1 TYR 37 HE1 TYR 37 15.676 8.636 -18.245 280 HE2 TYR 37 HE2 TYR 37 15.632 9.150 -14.010 281 HH TYR 37 HH TYR 37 15.403 10.911 -16.435 282 H GLU 38 HN GLU 38 19.026 2.690 -14.844 283 HA GLU 38 HA GLU 38 19.698 1.590 -17.328 284 1HB GLU 38 HB2 GLU 38 20.146 0.380 -14.594 285 2HB GLU 38 HB1 GLU 38 20.967 -0.104 -16.070 286 1HG GLU 38 HG2 GLU 38 21.299 2.374 -14.448 287 2HG GLU 38 HG1 GLU 38 22.519 1.259 -15.056 288 H LYS 39 HN LYS 39 17.827 0.096 -14.708 289 HA LYS 39 HA LYS 39 17.173 -2.256 -16.098 290 1HB LYS 39 HB2 LYS 39 16.828 -1.312 -13.532 291 2HB LYS 39 HB1 LYS 39 15.180 -1.404 -14.135 292 1HG LYS 39 HG2 LYS 39 16.802 -3.763 -14.735 293 2HG LYS 39 HG1 LYS 39 16.563 -3.462 -13.013 294 1HD LYS 39 HD2 LYS 39 14.288 -3.757 -13.136 295 2HD LYS 39 HD1 LYS 39 14.212 -3.296 -14.837 296 1HE LYS 39 HE2 LYS 39 14.199 -5.445 -15.390 297 2HE LYS 39 HE1 LYS 39 15.812 -5.609 -14.699 298 1HZ LYS 39 HZ1 LYS 39 14.790 -6.078 -12.548 299 2HZ LYS 39 HZ3 LYS 39 13.249 -5.956 -13.238 300 3HZ LYS 39 HZ2 LYS 39 14.297 -7.194 -13.717 301 H THR 40 HN THR 40 16.039 0.906 -16.634 302 HA THR 40 HA THR 40 13.345 0.361 -17.321 303 HB THR 40 HB THR 40 15.136 2.532 -18.428 304 HG1 THR 40 HG1 THR 40 14.457 3.755 -16.721 305 1HG2 THR 40 2HG2 THR 40 12.141 2.329 -18.268 306 2HG2 THR 40 1HG2 THR 40 13.024 3.811 -18.631 307 3HG2 THR 40 3HG2 THR 40 13.133 2.431 -19.723 308 H TYR 41 HN TYR 41 16.194 0.811 -19.380 309 HA TYR 41 HA TYR 41 14.943 -0.037 -21.774 310 1HB TYR 41 HB2 TYR 41 16.989 1.355 -21.712 311 2HB TYR 41 HB1 TYR 41 17.892 -0.021 -21.088 312 HD1 TYR 41 HD1 TYR 41 18.710 -1.711 -22.543 313 HD2 TYR 41 HD2 TYR 41 16.068 1.271 -24.035 314 HE1 TYR 41 HE1 TYR 41 19.192 -2.442 -24.841 315 HE2 TYR 41 HE2 TYR 41 16.542 0.549 -26.336 316 HH TYR 41 HH TYR 41 18.912 -0.906 -27.359 317 H LEU 42 HN LEU 42 16.847 -1.747 -19.329 318 HA LEU 42 HA LEU 42 17.170 -4.172 -20.715 319 1HB LEU 42 HB2 LEU 42 17.076 -3.624 -17.751 320 2HB LEU 42 HB1 LEU 42 17.580 -5.146 -18.459 321 HG LEU 42 HG LEU 42 18.974 -2.582 -19.173 322 1HD1 LEU 42 2HD1 LEU 42 18.982 -2.752 -16.728 323 2HD1 LEU 42 1HD1 LEU 42 19.646 -4.382 -16.849 324 3HD1 LEU 42 3HD1 LEU 42 20.588 -3.001 -17.411 325 1HD2 LEU 42 2HD2 LEU 42 19.386 -4.560 -20.557 326 2HD2 LEU 42 1HD2 LEU 42 20.827 -4.086 -19.657 327 3HD2 LEU 42 3HD2 LEU 42 19.864 -5.464 -19.120 328 HA PRO 43 HA PRO 43 13.068 -5.868 -20.259 329 1HB PRO 43 HB2 PRO 43 13.440 -8.115 -21.631 330 2HB PRO 43 HB1 PRO 43 13.531 -6.542 -22.432 331 1HG PRO 43 HG2 PRO 43 15.734 -8.367 -21.583 332 2HG PRO 43 HG1 PRO 43 15.613 -7.347 -23.027 333 1HD PRO 43 HD2 PRO 43 16.995 -6.721 -20.665 334 2HD PRO 43 HD1 PRO 43 16.570 -5.586 -21.960 335 H ALA 44 HN ALA 44 15.402 -6.553 -18.228 336 HA ALA 44 HA ALA 44 15.046 -9.238 -17.436 337 1HB ALA 44 HB3 ALA 44 16.310 -6.828 -16.267 338 2HB ALA 44 HB2 ALA 44 15.932 -8.159 -15.173 339 3HB ALA 44 HB1 ALA 44 16.979 -8.433 -16.565 340 H VAL 45 HN VAL 45 13.025 -6.518 -17.029 341 HA VAL 45 HA VAL 45 11.813 -6.624 -14.641 342 HB VAL 45 HB VAL 45 10.330 -6.452 -17.268 343 1HG1 VAL 45 3HG1 VAL 45 9.543 -5.711 -14.460 344 2HG1 VAL 45 2HG1 VAL 45 8.727 -5.070 -15.887 345 3HG1 VAL 45 1HG1 VAL 45 8.718 -6.805 -15.570 346 1HG2 VAL 45 1HG2 VAL 45 11.835 -4.446 -15.630 347 2HG2 VAL 45 3HG2 VAL 45 11.901 -4.742 -17.367 348 3HG2 VAL 45 2HG2 VAL 45 10.496 -3.942 -16.663 349 H ASP 46 HN ASP 46 10.719 -8.683 -17.358 350 HA ASP 46 HA ASP 46 8.986 -10.226 -15.699 351 1HB ASP 46 HB2 ASP 46 10.004 -10.690 -18.506 352 2HB ASP 46 HB1 ASP 46 8.792 -11.697 -17.719 353 H GLU 47 HN GLU 47 12.327 -10.579 -16.731 354 HA GLU 47 HA GLU 47 12.588 -13.341 -16.107 355 1HB GLU 47 HB2 GLU 47 14.154 -11.812 -17.495 356 2HB GLU 47 HB1 GLU 47 14.864 -11.382 -15.946 357 1HG GLU 47 HG2 GLU 47 14.643 -14.194 -16.997 358 2HG GLU 47 HG1 GLU 47 16.072 -13.174 -17.155 359 H LYS 48 HN LYS 48 13.656 -10.451 -14.290 360 HA LYS 48 HA LYS 48 14.557 -11.732 -12.002 361 1HB LYS 48 HB2 LYS 48 14.672 -9.234 -12.693 362 2HB LYS 48 HB1 LYS 48 13.136 -9.090 -11.851 363 1HG LYS 48 HG2 LYS 48 14.576 -8.534 -10.175 364 2HG LYS 48 HG1 LYS 48 14.449 -10.274 -9.910 365 1HD LYS 48 HD2 LYS 48 16.567 -9.279 -11.749 366 2HD LYS 48 HD1 LYS 48 16.793 -9.046 -10.016 367 1HE LYS 48 HE2 LYS 48 17.498 -11.146 -9.855 368 2HE LYS 48 HE1 LYS 48 15.904 -11.697 -10.365 369 1HZ LYS 48 HZ2 LYS 48 17.986 -10.906 -12.313 370 2HZ LYS 48 HZ1 LYS 48 17.871 -12.483 -11.716 371 3HZ LYS 48 HZ3 LYS 48 16.586 -11.813 -12.588 372 H LEU 49 HN LEU 49 11.277 -11.131 -13.026 373 HA LEU 49 HA LEU 49 9.984 -11.376 -10.531 374 1HB LEU 49 HB2 LEU 49 9.222 -11.187 -13.294 375 2HB LEU 49 HB1 LEU 49 8.315 -12.483 -12.537 376 HG LEU 49 HG LEU 49 7.795 -10.724 -10.695 377 1HD1 LEU 49 1HD1 LEU 49 9.446 -9.085 -11.628 378 2HD1 LEU 49 3HD1 LEU 49 8.354 -8.864 -12.995 379 3HD1 LEU 49 2HD1 LEU 49 7.824 -8.444 -11.366 380 1HD2 LEU 49 3HD2 LEU 49 6.139 -11.693 -12.206 381 2HD2 LEU 49 2HD2 LEU 49 5.835 -9.975 -11.945 382 3HD2 LEU 49 1HD2 LEU 49 6.579 -10.521 -13.448 383 H ARG 50 HN ARG 50 10.119 -13.796 -13.157 384 HA ARG 50 HA ARG 50 9.426 -15.972 -11.496 385 1HB ARG 50 HB2 ARG 50 10.257 -17.391 -13.380 386 2HB ARG 50 HB1 ARG 50 9.087 -16.174 -13.863 387 1HG ARG 50 HG2 ARG 50 10.561 -15.807 -15.515 388 2HG ARG 50 HG1 ARG 50 11.366 -14.816 -14.300 389 1HD ARG 50 HD2 ARG 50 12.956 -16.471 -13.838 390 2HD ARG 50 HD1 ARG 50 11.993 -17.734 -14.601 391 HE ARG 50 HE ARG 50 13.803 -15.901 -15.890 392 1HH1 ARG 50 1HH1 ARG 50 11.068 -18.042 -16.353 393 2HH1 ARG 50 2HH1 ARG 50 11.368 -18.255 -18.044 394 1HH2 ARG 50 1HH2 ARG 50 14.190 -16.187 -18.117 395 2HH2 ARG 50 2HH2 ARG 50 13.139 -17.204 -19.047 396 H ASP 51 HN ASP 51 12.464 -14.424 -12.255 397 HA ASP 51 HA ASP 51 14.284 -16.404 -11.534 398 1HB ASP 51 HB2 ASP 51 14.781 -14.140 -12.572 399 2HB ASP 51 HB1 ASP 51 14.651 -13.463 -10.953 400 H LEU 52 HN LEU 52 13.022 -13.780 -9.474 401 HA LEU 52 HA LEU 52 14.169 -14.756 -7.083 402 1HB LEU 52 HB2 LEU 52 11.813 -12.918 -7.519 403 2HB LEU 52 HB1 LEU 52 12.569 -13.206 -5.963 404 HG LEU 52 HG LEU 52 14.196 -12.174 -8.261 405 1HD1 LEU 52 2HD1 LEU 52 12.244 -10.704 -8.076 406 2HD1 LEU 52 1HD1 LEU 52 12.577 -10.487 -6.358 407 3HD1 LEU 52 3HD1 LEU 52 13.726 -9.898 -7.561 408 1HD2 LEU 52 3HD2 LEU 52 14.401 -11.909 -5.264 409 2HD2 LEU 52 2HD2 LEU 52 15.388 -12.945 -6.296 410 3HD2 LEU 52 1HD2 LEU 52 15.510 -11.190 -6.432 411 H TYR 53 HN TYR 53 11.232 -15.559 -8.782 412 HA TYR 53 HA TYR 53 9.820 -16.715 -6.610 413 1HB TYR 53 HB2 TYR 53 9.593 -16.820 -9.586 414 2HB TYR 53 HB1 TYR 53 8.742 -18.040 -8.646 415 HD1 TYR 53 HD1 TYR 53 8.094 -15.240 -10.349 416 HD2 TYR 53 HD2 TYR 53 7.702 -16.669 -6.360 417 HE1 TYR 53 HE1 TYR 53 6.258 -13.653 -9.967 418 HE2 TYR 53 HE2 TYR 53 5.864 -15.085 -5.967 419 HH TYR 53 HH TYR 53 5.276 -12.557 -7.391 420 H SER 54 HN SER 54 12.052 -18.036 -9.030 421 HA SER 54 HA SER 54 11.812 -20.746 -8.333 422 1HB SER 54 HB2 SER 54 12.970 -19.746 -10.384 423 2HB SER 54 HB1 SER 54 14.359 -19.467 -9.334 424 HG SER 54 HG SER 54 13.317 -21.850 -10.320 425 H LYS 55 HN LYS 55 14.161 -18.290 -7.258 426 HA LYS 55 HA LYS 55 15.582 -19.937 -5.477 427 1HB LYS 55 HB2 LYS 55 15.168 -16.942 -5.439 428 2HB LYS 55 HB1 LYS 55 16.339 -17.798 -4.447 429 1HG LYS 55 HG2 LYS 55 17.769 -18.118 -6.165 430 2HG LYS 55 HG1 LYS 55 16.477 -18.293 -7.354 431 1HD LYS 55 HD2 LYS 55 16.202 -15.966 -7.555 432 2HD LYS 55 HD1 LYS 55 17.112 -15.648 -6.077 433 1HE LYS 55 HE2 LYS 55 19.085 -16.746 -7.334 434 2HE LYS 55 HE1 LYS 55 18.120 -16.455 -8.780 435 1HZ LYS 55 HZ1 LYS 55 18.062 -14.099 -8.213 436 2HZ LYS 55 HZ3 LYS 55 19.008 -14.387 -6.840 437 3HZ LYS 55 HZ2 LYS 55 19.654 -14.643 -8.382 438 H SER 56 HN SER 56 12.793 -17.801 -4.959 439 HA SER 56 HA SER 56 12.638 -18.066 -2.173 440 1HB SER 56 HB2 SER 56 10.459 -17.081 -2.332 441 2HB SER 56 HB1 SER 56 11.485 -16.325 -3.550 442 HG SER 56 HG SER 56 9.480 -16.875 -4.439 443 H THR 57 HN THR 57 11.807 -20.429 -4.567 444 HA THR 57 HA THR 57 9.675 -21.721 -3.307 445 HB THR 57 HB THR 57 10.308 -23.725 -4.558 446 HG1 THR 57 HG1 THR 57 12.381 -24.010 -4.711 447 1HG2 THR 57 1HG2 THR 57 9.360 -21.626 -5.733 448 2HG2 THR 57 3HG2 THR 57 10.973 -21.510 -6.436 449 3HG2 THR 57 2HG2 THR 57 10.000 -22.956 -6.699 450 H ALA 58 HN ALA 58 13.176 -22.239 -2.916 451 HA ALA 58 HA ALA 58 12.721 -24.135 -0.759 452 1HB ALA 58 HB3 ALA 58 14.496 -24.581 -2.374 453 2HB ALA 58 HB2 ALA 58 15.302 -23.082 -1.915 454 3HB ALA 58 HB1 ALA 58 15.150 -24.395 -0.747 455 H ALA 59 HN ALA 59 14.154 -20.905 -1.183 456 HA ALA 59 HA ALA 59 14.972 -20.521 1.477 457 1HB ALA 59 HB1 ALA 59 15.014 -18.111 0.898 458 2HB ALA 59 HB2 ALA 59 14.229 -18.500 -0.632 459 3HB ALA 59 HB3 ALA 59 15.838 -19.131 -0.281 460 H MET 60 HN MET 60 12.089 -19.153 -0.146 461 HA MET 60 HA MET 60 10.936 -18.096 2.184 462 1HB MET 60 HB2 MET 60 10.389 -17.786 -0.397 463 2HB MET 60 HB1 MET 60 9.161 -18.989 -0.032 464 1HG MET 60 HG2 MET 60 8.549 -17.419 1.927 465 2HG MET 60 HG1 MET 60 9.452 -16.209 1.019 466 1HE MET 60 HE2 MET 60 9.174 -15.598 -1.162 467 2HE MET 60 HE1 MET 60 8.181 -16.476 -2.325 468 3HE MET 60 HE3 MET 60 7.578 -14.987 -1.598 469 H SER 61 HN SER 61 11.124 -21.371 1.162 470 HA SER 61 HA SER 61 8.714 -22.351 2.278 471 1HB SER 61 HB2 SER 61 10.659 -23.449 0.738 472 2HB SER 61 HB1 SER 61 11.052 -24.163 2.301 473 HG SER 61 HG SER 61 9.233 -25.270 2.272 474 H THR 62 HN THR 62 11.604 -21.242 3.754 475 HA THR 62 HA THR 62 11.035 -22.678 6.245 476 HB THR 62 HB THR 62 13.235 -21.815 7.001 477 HG1 THR 62 HG1 THR 62 13.831 -20.084 5.959 478 1HG2 THR 62 3HG2 THR 62 13.117 -23.981 5.811 479 2HG2 THR 62 2HG2 THR 62 13.486 -23.132 4.311 480 3HG2 THR 62 1HG2 THR 62 14.661 -23.148 5.627 481 H TYR 63 HN TYR 63 11.644 -19.377 5.057 482 HA TYR 63 HA TYR 63 11.007 -18.060 7.451 483 1HB TYR 63 HB2 TYR 63 10.909 -17.020 4.612 484 2HB TYR 63 HB1 TYR 63 10.882 -16.027 6.066 485 HD1 TYR 63 HD1 TYR 63 12.919 -16.296 7.670 486 HD2 TYR 63 HD2 TYR 63 12.939 -17.500 3.589 487 HE1 TYR 63 HE1 TYR 63 15.376 -16.221 7.667 488 HE2 TYR 63 HE2 TYR 63 15.396 -17.429 3.575 489 HH TYR 63 HH TYR 63 17.258 -17.616 5.936 490 H THR 64 HN THR 64 9.022 -19.499 5.007 491 HA THR 64 HA THR 64 6.715 -17.891 5.460 492 HB THR 64 HB THR 64 7.186 -20.540 4.135 493 HG1 THR 64 HG1 THR 64 7.264 -19.213 2.530 494 1HG2 THR 64 1HG2 THR 64 4.496 -19.395 4.815 495 2HG2 THR 64 3HG2 THR 64 4.755 -20.481 3.449 496 3HG2 THR 64 2HG2 THR 64 5.097 -21.032 5.089 497 H GLY 65 HN GLY 65 7.509 -21.202 6.495 498 1HA GLY 65 HA1 GLY 65 6.818 -22.401 8.334 499 2HA GLY 65 HA2 GLY 65 5.368 -21.401 8.338 500 H ILE 66 HN ILE 66 8.707 -20.302 8.611 501 HA ILE 66 HA ILE 66 8.791 -20.021 11.424 502 HB ILE 66 HB ILE 66 10.389 -18.707 9.228 503 1HG1 ILE 66 2HG1 ILE 66 11.354 -20.615 11.350 504 2HG1 ILE 66 1HG1 ILE 66 10.604 -21.200 9.870 505 1HG2 ILE 66 1HG2 ILE 66 10.549 -18.287 12.197 506 2HG2 ILE 66 3HG2 ILE 66 11.946 -18.048 11.146 507 3HG2 ILE 66 2HG2 ILE 66 10.491 -17.081 10.911 508 1HD1 ILE 66 2HD1 ILE 66 12.405 -19.616 8.762 509 2HD1 ILE 66 1HD1 ILE 66 13.239 -19.916 10.287 510 3HD1 ILE 66 3HD1 ILE 66 12.784 -21.268 9.250 511 H PHE 67 HN PHE 67 8.397 -17.532 8.893 512 HA PHE 67 HA PHE 67 7.868 -15.350 10.507 513 1HB PHE 67 HB2 PHE 67 8.183 -15.137 8.096 514 2HB PHE 67 HB1 PHE 67 6.661 -15.971 7.802 515 HD1 PHE 67 HD1 PHE 67 8.179 -12.873 9.101 516 HD2 PHE 67 HD2 PHE 67 4.590 -14.825 7.905 517 HE1 PHE 67 HE1 PHE 67 6.996 -10.717 9.144 518 HE2 PHE 67 HE2 PHE 67 3.401 -12.671 7.944 519 HZ PHE 67 HZ PHE 67 4.604 -10.614 8.564 520 H THR 68 HN THR 68 5.421 -17.457 8.996 521 HA THR 68 HA THR 68 3.227 -16.328 10.349 522 HB THR 68 HB THR 68 3.363 -19.135 9.253 523 HG1 THR 68 HG1 THR 68 2.941 -16.686 7.884 524 1HG2 THR 68 3HG2 THR 68 1.108 -17.203 9.676 525 2HG2 THR 68 2HG2 THR 68 0.991 -18.585 8.587 526 3HG2 THR 68 1HG2 THR 68 1.287 -18.839 10.307 527 H ASP 69 HN ASP 69 5.604 -18.569 11.397 528 HA ASP 69 HA ASP 69 4.184 -20.061 13.290 529 1HB ASP 69 HB2 ASP 69 6.851 -19.844 12.546 530 2HB ASP 69 HB1 ASP 69 6.847 -19.323 14.227 531 H GLN 70 HN GLN 70 6.050 -17.062 13.819 532 HA GLN 70 HA GLN 70 5.124 -16.709 16.486 533 1HB GLN 70 HB2 GLN 70 6.498 -14.854 14.545 534 2HB GLN 70 HB1 GLN 70 6.070 -14.370 16.180 535 1HG GLN 70 HG2 GLN 70 7.435 -16.288 17.017 536 2HG GLN 70 HG1 GLN 70 7.977 -16.544 15.358 537 1HE2 GLN 70 1HE2 GLN 70 8.093 -14.425 18.126 538 2HE2 GLN 70 2HE2 GLN 70 9.449 -13.491 17.602 539 H VAL 71 HN VAL 71 3.847 -15.838 13.387 540 HA VAL 71 HA VAL 71 2.130 -13.730 14.218 541 HB VAL 71 HB VAL 71 1.890 -15.593 11.840 542 1HG1 VAL 71 3HG1 VAL 71 0.377 -13.100 12.578 543 2HG1 VAL 71 2HG1 VAL 71 0.463 -13.708 10.925 544 3HG1 VAL 71 1HG1 VAL 71 -0.265 -14.697 12.191 545 1HG2 VAL 71 2HG2 VAL 71 3.896 -13.906 12.190 546 2HG2 VAL 71 1HG2 VAL 71 3.145 -14.132 10.611 547 3HG2 VAL 71 3HG2 VAL 71 2.706 -12.743 11.605 548 H LEU 72 HN LEU 72 1.572 -17.155 13.500 549 HA LEU 72 HA LEU 72 -1.088 -17.316 14.353 550 1HB LEU 72 HB2 LEU 72 1.103 -19.395 14.301 551 2HB LEU 72 HB1 LEU 72 -0.564 -19.765 14.700 552 HG LEU 72 HG LEU 72 0.110 -18.444 12.092 553 1HD1 LEU 72 1HD1 LEU 72 0.173 -21.404 12.662 554 2HD1 LEU 72 3HD1 LEU 72 0.235 -20.664 11.062 555 3HD1 LEU 72 2HD1 LEU 72 1.548 -20.397 12.209 556 1HD2 LEU 72 2HD2 LEU 72 -2.231 -18.536 12.792 557 2HD2 LEU 72 1HD2 LEU 72 -1.946 -19.544 11.375 558 3HD2 LEU 72 3HD2 LEU 72 -2.114 -20.287 12.966 559 H SER 73 HN SER 73 1.974 -17.448 16.063 560 HA SER 73 HA SER 73 1.062 -18.402 18.526 561 1HB SER 73 HB2 SER 73 3.191 -18.073 19.210 562 2HB SER 73 HB1 SER 73 3.504 -17.618 17.538 563 HG SER 73 HG SER 73 3.501 -15.525 18.085 564 H VAL 74 HN VAL 74 1.085 -15.118 17.222 565 HA VAL 74 HA VAL 74 0.170 -13.922 19.656 566 HB VAL 74 HB VAL 74 -0.070 -11.886 18.495 567 1HG1 VAL 74 1HG1 VAL 74 2.272 -13.192 18.497 568 2HG1 VAL 74 3HG1 VAL 74 2.089 -12.909 16.766 569 3HG1 VAL 74 2HG1 VAL 74 2.075 -11.549 17.888 570 1HG2 VAL 74 3HG2 VAL 74 -1.062 -13.449 16.384 571 2HG2 VAL 74 2HG2 VAL 74 -0.969 -11.691 16.474 572 3HG2 VAL 74 1HG2 VAL 74 0.351 -12.608 15.749 573 H LEU 75 HN LEU 75 -1.373 -15.761 17.229 574 HA LEU 75 HA LEU 75 -3.968 -14.640 17.307 575 1HB LEU 75 HB2 LEU 75 -2.883 -16.447 15.720 576 2HB LEU 75 HB1 LEU 75 -3.562 -17.566 16.888 577 HG LEU 75 HG LEU 75 -5.793 -16.361 16.483 578 1HD1 LEU 75 1HD1 LEU 75 -4.251 -15.420 14.069 579 2HD1 LEU 75 3HD1 LEU 75 -6.000 -15.308 14.272 580 3HD1 LEU 75 2HD1 LEU 75 -4.928 -14.406 15.343 581 1HD2 LEU 75 1HD2 LEU 75 -5.319 -18.624 15.711 582 2HD2 LEU 75 3HD2 LEU 75 -6.258 -17.734 14.513 583 3HD2 LEU 75 2HD2 LEU 75 -4.528 -17.978 14.272 584 H LYS 76 HN LYS 76 -2.306 -17.014 19.242 585 HA LYS 76 HA LYS 76 -4.573 -17.853 20.757 586 1HB LYS 76 HB2 LYS 76 -1.614 -18.068 21.330 587 2HB LYS 76 HB1 LYS 76 -2.866 -18.835 22.296 588 1HG LYS 76 HG2 LYS 76 -3.598 -20.030 20.209 589 2HG LYS 76 HG1 LYS 76 -2.140 -19.407 19.435 590 1HD LYS 76 HD2 LYS 76 -1.373 -21.439 20.164 591 2HD LYS 76 HD1 LYS 76 -0.977 -20.441 21.563 592 1HE LYS 76 HE2 LYS 76 -3.290 -21.114 22.450 593 2HE LYS 76 HE1 LYS 76 -3.250 -22.370 21.213 594 1HZ LYS 76 HZ1 LYS 76 -1.197 -23.206 22.187 595 2HZ LYS 76 HZ3 LYS 76 -1.247 -22.004 23.378 596 3HZ LYS 76 HZ2 LYS 76 -2.445 -23.198 23.329 597 H GLY 77 HN GLY 77 -1.891 -15.600 21.438 598 1HA GLY 77 HA1 GLY 77 -1.633 -14.002 23.070 599 2HA GLY 77 HA2 GLY 77 -2.843 -14.857 24.014 600 H GLU 78 HN GLU 78 -2.659 -12.841 21.072 601 HA GLU 78 HA GLU 78 -4.428 -10.875 22.094 602 1HB GLU 78 HB2 GLU 78 -2.699 -10.486 20.324 603 2HB GLU 78 HB1 GLU 78 -3.711 -11.380 19.199 604 1HG GLU 78 HG2 GLU 78 -4.791 -9.004 20.659 605 2HG GLU 78 HG1 GLU 78 -3.802 -8.804 19.214 606 H GLU 79 HN GLU 79 -4.921 -13.084 19.322 607 HA GLU 79 HA GLU 79 -6.753 -14.142 18.514 608 1HB GLU 79 HB2 GLU 79 -6.933 -14.720 21.054 609 2HB GLU 79 HB1 GLU 79 -8.275 -13.585 21.042 610 1HG GLU 79 HG2 GLU 79 -8.060 -15.991 19.247 611 2HG GLU 79 HG1 GLU 79 -8.952 -15.948 20.767 No H/Q in entry = 611 Start of MODEL 43 1 H1 THR 1 HT3 THR 1 32.955 9.360 33.043 2 H2 THR 1 HT2 THR 1 31.983 10.705 33.479 3 H3 THR 1 HT1 THR 1 33.538 10.503 34.179 4 HA THR 1 HA THR 1 32.834 8.524 35.267 5 HB THR 1 HB THR 1 30.828 10.732 35.759 6 HG1 THR 1 HG1 THR 1 32.537 11.948 35.912 7 1HG2 THR 1 2HG2 THR 1 31.039 8.467 37.135 8 2HG2 THR 1 1HG2 THR 1 32.294 9.401 37.949 9 3HG2 THR 1 3HG2 THR 1 30.640 10.011 37.889 10 H GLN 2 HN GLN 2 31.769 6.709 34.833 11 HA GLN 2 HA GLN 2 29.217 6.840 33.402 12 1HB GLN 2 HB2 GLN 2 31.044 5.402 32.505 13 2HB GLN 2 HB1 GLN 2 30.957 4.432 33.969 14 1HG GLN 2 HG2 GLN 2 29.773 3.363 32.146 15 2HG GLN 2 HG1 GLN 2 28.659 3.816 33.434 16 1HE2 GLN 2 1HE2 GLN 2 26.841 4.726 32.787 17 2HE2 GLN 2 2HE2 GLN 2 26.608 5.600 31.316 18 H GLN 3 HN GLN 3 27.335 6.391 34.346 19 HA GLN 3 HA GLN 3 27.375 5.270 37.071 20 1HB GLN 3 HB2 GLN 3 25.752 7.395 35.770 21 2HB GLN 3 HB1 GLN 3 24.936 6.375 36.946 22 1HG GLN 3 HG2 GLN 3 25.800 8.416 37.957 23 2HG GLN 3 HG1 GLN 3 26.559 6.979 38.639 24 1HE2 GLN 3 1HE2 GLN 3 27.041 9.419 36.104 25 2HE2 GLN 3 2HE2 GLN 3 28.757 9.510 36.282 26 HA PRO 4 HA PRO 4 24.975 1.832 35.680 27 1HB PRO 4 HB2 PRO 4 23.575 1.183 37.890 28 2HB PRO 4 HB1 PRO 4 25.328 0.981 37.797 29 1HG PRO 4 HG2 PRO 4 23.740 3.170 39.078 30 2HG PRO 4 HG1 PRO 4 25.177 2.328 39.685 31 1HD PRO 4 HD2 PRO 4 25.257 4.789 38.500 32 2HD PRO 4 HD1 PRO 4 26.611 3.642 38.470 33 H GLN 5 HN GLN 5 23.801 3.464 34.241 34 HA GLN 5 HA GLN 5 21.217 4.388 35.029 35 1HB GLN 5 HB2 GLN 5 22.474 5.552 33.301 36 2HB GLN 5 HB1 GLN 5 22.481 4.112 32.294 37 1HG GLN 5 HG2 GLN 5 20.856 5.747 31.515 38 2HG GLN 5 HG1 GLN 5 20.074 4.254 32.030 39 1HE2 GLN 5 1HE2 GLN 5 18.373 4.455 33.310 40 2HE2 GLN 5 2HE2 GLN 5 17.988 5.838 34.272 41 H GLN 6 HN GLN 6 19.463 3.184 35.272 42 HA GLN 6 HA GLN 6 19.308 0.475 34.451 43 1HB GLN 6 HB2 GLN 6 17.123 2.334 35.412 44 2HB GLN 6 HB1 GLN 6 16.966 0.590 35.253 45 1HG GLN 6 HG2 GLN 6 18.806 2.070 37.121 46 2HG GLN 6 HG1 GLN 6 17.349 1.176 37.555 47 1HE2 GLN 6 1HE2 GLN 6 17.362 -1.136 37.249 48 2HE2 GLN 6 2HE2 GLN 6 18.854 -2.003 37.336 49 H ASP 7 HN ASP 7 17.254 -0.312 33.216 50 HA ASP 7 HA ASP 7 17.437 0.702 30.559 51 1HB ASP 7 HB2 ASP 7 17.059 -1.666 30.926 52 2HB ASP 7 HB1 ASP 7 15.561 -1.331 31.788 53 H GLU 8 HN GLU 8 16.680 2.741 30.282 54 HA GLU 8 HA GLU 8 14.304 3.731 31.504 55 1HB GLU 8 HB2 GLU 8 15.849 4.807 29.133 56 2HB GLU 8 HB1 GLU 8 14.595 5.675 30.008 57 1HG GLU 8 HG2 GLU 8 16.142 6.470 31.366 58 2HG GLU 8 HG1 GLU 8 16.452 4.831 31.936 59 H MET 9 HN MET 9 14.999 3.250 28.027 60 HA MET 9 HA MET 9 12.252 3.255 27.296 61 1HB MET 9 HB2 MET 9 14.100 3.888 25.758 62 2HB MET 9 HB1 MET 9 14.618 2.208 25.729 63 1HG MET 9 HG2 MET 9 12.633 1.527 24.622 64 2HG MET 9 HG1 MET 9 11.882 3.102 24.868 65 1HE MET 9 HE1 MET 9 15.009 1.363 23.412 66 2HE MET 9 HE3 MET 9 13.732 0.927 22.277 67 3HE MET 9 HE2 MET 9 15.051 1.974 21.758 68 HA PRO 10 HA PRO 10 11.250 -0.885 28.719 69 1HB PRO 10 HB2 PRO 10 9.065 -0.489 26.727 70 2HB PRO 10 HB1 PRO 10 8.972 -1.021 28.410 71 1HG PRO 10 HG2 PRO 10 8.268 1.452 27.735 72 2HG PRO 10 HG1 PRO 10 9.150 1.139 29.241 73 1HD PRO 10 HD2 PRO 10 10.137 2.280 26.665 74 2HD PRO 10 HD1 PRO 10 10.600 2.682 28.332 75 H SER 11 HN SER 11 10.849 -0.097 25.253 76 HA SER 11 HA SER 11 11.307 -2.784 24.398 77 1HB SER 11 HB2 SER 11 11.337 -1.819 22.120 78 2HB SER 11 HB1 SER 11 9.949 -1.255 23.050 79 HG SER 11 HG SER 11 10.732 0.717 23.043 80 HA PRO 12 HA PRO 12 15.728 -2.851 24.275 81 1HB PRO 12 HB2 PRO 12 16.166 -4.601 22.253 82 2HB PRO 12 HB1 PRO 12 15.543 -5.102 23.830 83 1HG PRO 12 HG2 PRO 12 14.057 -4.599 21.279 84 2HG PRO 12 HG1 PRO 12 13.864 -5.923 22.443 85 1HD PRO 12 HD2 PRO 12 12.209 -3.776 22.381 86 2HD PRO 12 HD1 PRO 12 12.598 -4.643 23.880 87 H THR 13 HN THR 13 17.609 -2.685 22.659 88 HA THR 13 HA THR 13 17.265 -0.290 21.148 89 HB THR 13 HB THR 13 19.363 -0.681 22.284 90 HG1 THR 13 HG1 THR 13 19.868 0.516 20.599 91 1HG2 THR 13 3HG2 THR 13 19.179 -3.311 21.376 92 2HG2 THR 13 2HG2 THR 13 20.572 -2.617 20.547 93 3HG2 THR 13 1HG2 THR 13 20.486 -2.582 22.308 94 H PHE 14 HN PHE 14 15.741 -0.745 19.561 95 HA PHE 14 HA PHE 14 16.787 -2.262 17.273 96 1HB PHE 14 HB2 PHE 14 14.508 -2.973 18.850 97 2HB PHE 14 HB1 PHE 14 13.950 -2.488 17.252 98 HD1 PHE 14 HD1 PHE 14 16.027 -4.876 19.114 99 HD2 PHE 14 HD2 PHE 14 14.429 -3.804 15.317 100 HE1 PHE 14 HE1 PHE 14 16.666 -7.080 18.227 101 HE2 PHE 14 HE2 PHE 14 15.063 -6.008 14.425 102 HZ PHE 14 HZ PHE 14 16.182 -7.649 15.880 103 H LEU 15 HN LEU 15 14.091 -0.123 18.252 104 HA LEU 15 HA LEU 15 13.680 0.992 15.697 105 1HB LEU 15 HB2 LEU 15 12.496 2.819 16.932 106 2HB LEU 15 HB1 LEU 15 11.939 1.199 17.304 107 HG LEU 15 HG LEU 15 13.888 1.725 19.234 108 1HD1 LEU 15 2HD1 LEU 15 13.820 4.095 18.582 109 2HD1 LEU 15 1HD1 LEU 15 12.088 4.120 18.913 110 3HD1 LEU 15 3HD1 LEU 15 13.232 3.832 20.224 111 1HD2 LEU 15 2HD2 LEU 15 10.881 1.893 19.359 112 2HD2 LEU 15 1HD2 LEU 15 11.874 0.458 19.615 113 3HD2 LEU 15 3HD2 LEU 15 11.947 1.796 20.761 114 H THR 16 HN THR 16 15.651 2.052 18.448 115 HA THR 16 HA THR 16 16.498 4.519 17.448 116 HB THR 16 HB THR 16 18.515 4.151 18.942 117 HG1 THR 16 HG1 THR 16 18.837 2.049 19.136 118 1HG2 THR 16 1HG2 THR 16 16.414 5.166 19.783 119 2HG2 THR 16 3HG2 THR 16 15.899 3.558 20.295 120 3HG2 THR 16 2HG2 THR 16 17.335 4.291 21.007 121 H GLN 17 HN GLN 17 17.832 1.270 16.980 122 HA GLN 17 HA GLN 17 20.158 2.004 15.586 123 1HB GLN 17 HB2 GLN 17 18.545 -0.542 15.335 124 2HB GLN 17 HB1 GLN 17 20.203 -0.322 14.792 125 1HG GLN 17 HG2 GLN 17 19.219 -0.224 17.635 126 2HG GLN 17 HG1 GLN 17 20.158 -1.515 16.888 127 1HE2 GLN 17 1HE2 GLN 17 22.348 -1.118 16.352 128 2HE2 GLN 17 2HE2 GLN 17 23.240 0.141 17.127 129 H VAL 18 HN VAL 18 16.950 1.057 14.382 130 HA VAL 18 HA VAL 18 17.063 0.873 11.756 131 HB VAL 18 HB VAL 18 15.135 2.721 13.163 132 1HG1 VAL 18 2HG1 VAL 18 15.139 1.578 10.386 133 2HG1 VAL 18 1HG1 VAL 18 13.648 2.069 11.191 134 3HG1 VAL 18 3HG1 VAL 18 14.919 3.254 10.891 135 1HG2 VAL 18 2HG2 VAL 18 15.234 -0.229 12.713 136 2HG2 VAL 18 1HG2 VAL 18 14.785 0.674 14.159 137 3HG2 VAL 18 3HG2 VAL 18 13.673 0.587 12.795 138 H LYS 19 HN LYS 19 17.324 4.059 13.342 139 HA LYS 19 HA LYS 19 17.376 5.686 11.124 140 1HB LYS 19 HB2 LYS 19 19.034 6.039 13.625 141 2HB LYS 19 HB1 LYS 19 18.623 7.304 12.476 142 1HG LYS 19 HG2 LYS 19 16.711 5.793 14.247 143 2HG LYS 19 HG1 LYS 19 17.218 7.473 14.424 144 1HD LYS 19 HD2 LYS 19 15.372 7.967 13.253 145 2HD LYS 19 HD1 LYS 19 16.283 7.412 11.847 146 1HE LYS 19 HE2 LYS 19 15.382 5.129 12.238 147 2HE LYS 19 HE1 LYS 19 14.389 5.783 13.539 148 1HZ LYS 19 HZ3 LYS 19 14.256 6.753 10.739 149 2HZ LYS 19 HZ2 LYS 19 13.244 5.547 11.355 150 3HZ LYS 19 HZ1 LYS 19 13.188 7.108 12.003 151 H GLU 20 HN GLU 20 20.183 4.109 12.648 152 HA GLU 20 HA GLU 20 22.091 5.095 10.820 153 1HB GLU 20 HB2 GLU 20 22.175 2.572 12.482 154 2HB GLU 20 HB1 GLU 20 23.555 3.296 11.670 155 1HG GLU 20 HG2 GLU 20 23.921 4.246 13.659 156 2HG GLU 20 HG1 GLU 20 22.690 5.392 13.135 157 H SER 21 HN SER 21 19.944 2.352 10.752 158 HA SER 21 HA SER 21 21.159 0.899 8.663 159 1HB SER 21 HB2 SER 21 19.401 -0.526 8.870 160 2HB SER 21 HB1 SER 21 19.062 0.414 10.319 161 HG SER 21 HG SER 21 17.454 1.448 9.295 162 H LEU 22 HN LEU 22 18.859 3.567 8.662 163 HA LEU 22 HA LEU 22 18.279 3.470 5.876 164 1HB LEU 22 HB2 LEU 22 18.026 5.783 7.802 165 2HB LEU 22 HB1 LEU 22 17.287 5.686 6.214 166 HG LEU 22 HG LEU 22 16.637 3.537 8.169 167 1HD1 LEU 22 3HD1 LEU 22 16.526 5.735 9.400 168 2HD1 LEU 22 2HD1 LEU 22 15.259 6.208 8.269 169 3HD1 LEU 22 1HD1 LEU 22 15.021 4.816 9.326 170 1HD2 LEU 22 1HD2 LEU 22 15.781 3.498 5.867 171 2HD2 LEU 22 3HD2 LEU 22 14.483 3.637 7.054 172 3HD2 LEU 22 2HD2 LEU 22 14.999 5.056 6.142 173 H SER 23 HN SER 23 20.587 5.312 7.845 174 HA SER 23 HA SER 23 21.549 7.014 5.845 175 1HB SER 23 HB2 SER 23 22.043 7.259 8.280 176 2HB SER 23 HB1 SER 23 23.132 5.877 8.163 177 HG SER 23 HG SER 23 24.592 7.129 7.319 178 H SER 24 HN SER 24 22.813 3.864 6.926 179 HA SER 24 HA SER 24 24.877 3.703 5.006 180 1HB SER 24 HB2 SER 24 24.812 1.227 5.540 181 2HB SER 24 HB1 SER 24 25.019 2.292 6.931 182 HG SER 24 HG SER 24 22.754 0.821 6.136 183 H TYR 25 HN TYR 25 21.478 3.290 4.730 184 HA TYR 25 HA TYR 25 21.550 1.548 2.437 185 1HB TYR 25 HB2 TYR 25 19.573 2.435 4.249 186 2HB TYR 25 HB1 TYR 25 19.078 3.010 2.661 187 HD1 TYR 25 HD1 TYR 25 18.626 1.403 0.847 188 HD2 TYR 25 HD2 TYR 25 19.553 0.097 4.789 189 HE1 TYR 25 HE1 TYR 25 17.762 -0.833 0.302 190 HE2 TYR 25 HE2 TYR 25 18.692 -2.143 4.255 191 HH TYR 25 HH TYR 25 18.393 -3.408 1.562 192 H TRP 26 HN TRP 26 21.054 5.014 3.018 193 HA TRP 26 HA TRP 26 20.531 5.744 0.347 194 1HB TRP 26 HB2 TRP 26 20.597 7.057 2.786 195 2HB TRP 26 HB1 TRP 26 21.919 7.799 1.889 196 HD1 TRP 26 HD1 TRP 26 21.151 9.894 0.657 197 HE1 TRP 26 HE1 TRP 26 18.984 10.687 -0.485 198 HE3 TRP 26 HE3 TRP 26 18.245 5.768 1.474 199 HZ2 TRP 26 HZ2 TRP 26 16.388 9.694 -0.975 200 HZ3 TRP 26 HZ3 TRP 26 15.931 5.770 0.637 201 HH2 TRP 26 HH2 TRP 26 15.024 7.693 -0.562 202 H GLU 27 HN GLU 27 23.520 5.360 2.147 203 HA GLU 27 HA GLU 27 25.429 6.596 0.685 204 1HB GLU 27 HB2 GLU 27 25.341 4.142 2.296 205 2HB GLU 27 HB1 GLU 27 26.639 4.166 1.112 206 1HG GLU 27 HG2 GLU 27 27.834 5.573 2.334 207 2HG GLU 27 HG1 GLU 27 26.475 6.681 2.506 208 H SER 28 HN SER 28 24.383 3.253 0.018 209 HA SER 28 HA SER 28 25.477 3.447 -2.680 210 1HB SER 28 HB2 SER 28 25.768 1.435 -1.052 211 2HB SER 28 HB1 SER 28 24.141 0.997 -1.571 212 HG SER 28 HG SER 28 25.569 -0.010 -2.939 213 H ALA 29 HN ALA 29 22.583 4.222 -1.261 214 HA ALA 29 HA ALA 29 20.654 3.045 -2.932 215 1HB ALA 29 HB1 ALA 29 20.014 4.177 -0.898 216 2HB ALA 29 HB2 ALA 29 19.194 4.921 -2.270 217 3HB ALA 29 HB3 ALA 29 20.586 5.717 -1.538 218 H LYS 30 HN LYS 30 22.688 5.892 -3.396 219 HA LYS 30 HA LYS 30 21.407 7.093 -5.534 220 1HB LYS 30 HB2 LYS 30 24.338 6.880 -4.869 221 2HB LYS 30 HB1 LYS 30 23.752 7.836 -6.224 222 1HG LYS 30 HG2 LYS 30 22.996 9.486 -4.902 223 2HG LYS 30 HG1 LYS 30 22.430 8.373 -3.656 224 1HD LYS 30 HD2 LYS 30 24.755 8.053 -2.913 225 2HD LYS 30 HD1 LYS 30 25.289 9.211 -4.133 226 1HE LYS 30 HE2 LYS 30 23.637 10.834 -3.011 227 2HE LYS 30 HE1 LYS 30 23.648 9.693 -1.668 228 1HZ LYS 30 HZ1 LYS 30 26.054 9.961 -1.520 229 2HZ LYS 30 HZ3 LYS 30 26.024 11.077 -2.792 230 3HZ LYS 30 HZ2 LYS 30 25.263 11.444 -1.327 231 H THR 31 HN THR 31 23.905 4.562 -5.695 232 HA THR 31 HA THR 31 24.102 4.233 -8.421 233 HB THR 31 HB THR 31 24.017 1.881 -6.532 234 HG1 THR 31 HG1 THR 31 25.501 2.874 -5.441 235 1HG2 THR 31 3HG2 THR 31 25.727 2.467 -8.937 236 2HG2 THR 31 2HG2 THR 31 25.864 1.049 -7.896 237 3HG2 THR 31 1HG2 THR 31 24.402 1.306 -8.850 238 H ALA 32 HN ALA 32 21.651 3.044 -6.198 239 HA ALA 32 HA ALA 32 20.242 1.398 -8.007 240 1HB ALA 32 HB2 ALA 32 18.801 2.867 -5.846 241 2HB ALA 32 HB1 ALA 32 18.637 1.192 -6.372 242 3HB ALA 32 HB3 ALA 32 20.030 1.681 -5.408 243 H ALA 33 HN ALA 33 19.892 4.835 -7.141 244 HA ALA 33 HA ALA 33 17.616 5.487 -8.548 245 1HB ALA 33 HB1 ALA 33 19.027 6.988 -7.059 246 2HB ALA 33 HB3 ALA 33 20.014 7.296 -8.488 247 3HB ALA 33 HB2 ALA 33 18.307 7.738 -8.483 248 H GLN 34 HN GLN 34 20.942 5.624 -9.811 249 HA GLN 34 HA GLN 34 20.170 6.240 -12.459 250 1HB GLN 34 HB2 GLN 34 22.691 4.958 -11.387 251 2HB GLN 34 HB1 GLN 34 22.484 5.464 -13.056 252 1HG GLN 34 HG2 GLN 34 23.542 7.297 -12.256 253 2HG GLN 34 HG1 GLN 34 21.880 7.766 -11.906 254 1HE2 GLN 34 1HE2 GLN 34 24.521 5.913 -10.398 255 2HE2 GLN 34 2HE2 GLN 34 24.290 6.560 -8.813 256 H ASN 35 HN ASN 35 20.696 3.228 -10.724 257 HA ASN 35 HA ASN 35 20.572 1.477 -12.929 258 1HB ASN 35 HB2 ASN 35 21.303 0.932 -10.542 259 2HB ASN 35 HB1 ASN 35 19.590 0.795 -10.161 260 1HD2 ASN 35 1HD2 ASN 35 22.143 -0.472 -12.238 261 2HD2 ASN 35 2HD2 ASN 35 21.440 -2.036 -12.449 262 H LEU 36 HN LEU 36 18.114 3.128 -11.146 263 HA LEU 36 HA LEU 36 15.851 1.622 -11.789 264 1HB LEU 36 HB2 LEU 36 16.134 3.742 -10.266 265 2HB LEU 36 HB1 LEU 36 15.770 4.622 -11.737 266 HG LEU 36 HG LEU 36 13.906 2.442 -10.946 267 1HD1 LEU 36 1HD1 LEU 36 14.019 5.125 -9.577 268 2HD1 LEU 36 3HD1 LEU 36 12.682 3.978 -9.465 269 3HD1 LEU 36 2HD1 LEU 36 14.269 3.548 -8.827 270 1HD2 LEU 36 3HD2 LEU 36 13.716 5.118 -12.298 271 2HD2 LEU 36 2HD2 LEU 36 13.362 3.522 -12.959 272 3HD2 LEU 36 1HD2 LEU 36 12.287 4.237 -11.757 273 H TYR 37 HN TYR 37 17.484 4.275 -13.419 274 HA TYR 37 HA TYR 37 15.827 4.363 -15.718 275 1HB TYR 37 HB2 TYR 37 17.887 5.905 -14.776 276 2HB TYR 37 HB1 TYR 37 18.659 5.073 -16.120 277 HD1 TYR 37 HD1 TYR 37 16.932 4.965 -18.274 278 HD2 TYR 37 HD2 TYR 37 17.088 7.998 -15.295 279 HE1 TYR 37 HE1 TYR 37 15.907 6.552 -19.845 280 HE2 TYR 37 HE2 TYR 37 16.064 9.594 -16.860 281 HH TYR 37 HH TYR 37 16.030 9.452 -19.878 282 H GLU 38 HN GLU 38 18.727 2.580 -14.848 283 HA GLU 38 HA GLU 38 19.366 1.472 -17.327 284 1HB GLU 38 HB2 GLU 38 19.776 0.265 -14.588 285 2HB GLU 38 HB1 GLU 38 20.556 -0.288 -16.062 286 1HG GLU 38 HG2 GLU 38 21.036 2.189 -14.481 287 2HG GLU 38 HG1 GLU 38 22.188 1.020 -15.117 288 H LYS 39 HN LYS 39 17.339 0.095 -14.757 289 HA LYS 39 HA LYS 39 16.701 -2.287 -16.082 290 1HB LYS 39 HB2 LYS 39 15.028 -2.623 -14.432 291 2HB LYS 39 HB1 LYS 39 16.359 -1.792 -13.641 292 1HG LYS 39 HG2 LYS 39 14.980 -0.208 -12.957 293 2HG LYS 39 HG1 LYS 39 14.560 0.169 -14.629 294 1HD LYS 39 HD2 LYS 39 13.145 -2.149 -14.102 295 2HD LYS 39 HD1 LYS 39 13.031 -1.237 -12.597 296 1HE LYS 39 HE2 LYS 39 12.354 -0.174 -15.338 297 2HE LYS 39 HE1 LYS 39 11.183 -0.740 -14.150 298 1HZ LYS 39 HZ3 LYS 39 12.064 1.002 -12.629 299 2HZ LYS 39 HZ2 LYS 39 12.984 1.607 -13.913 300 3HZ LYS 39 HZ1 LYS 39 11.295 1.614 -14.006 301 H THR 40 HN THR 40 15.690 0.889 -16.847 302 HA THR 40 HA THR 40 13.117 0.123 -17.914 303 HB THR 40 HB THR 40 12.838 2.350 -18.614 304 HG1 THR 40 HG1 THR 40 14.456 3.109 -19.705 305 1HG2 THR 40 3HG2 THR 40 13.169 2.052 -16.094 306 2HG2 THR 40 2HG2 THR 40 14.723 2.846 -16.350 307 3HG2 THR 40 1HG2 THR 40 13.227 3.683 -16.763 308 H TYR 41 HN TYR 41 16.362 0.599 -19.141 309 HA TYR 41 HA TYR 41 15.757 0.407 -21.900 310 1HB TYR 41 HB2 TYR 41 18.363 -0.459 -20.651 311 2HB TYR 41 HB1 TYR 41 18.096 0.159 -22.274 312 HD1 TYR 41 HD1 TYR 41 19.811 0.993 -19.603 313 HD2 TYR 41 HD2 TYR 41 16.549 2.599 -21.813 314 HE1 TYR 41 HE1 TYR 41 20.407 3.248 -18.832 315 HE2 TYR 41 HE2 TYR 41 17.136 4.861 -21.045 316 HH TYR 41 HH TYR 41 19.756 5.853 -20.085 317 H LEU 42 HN LEU 42 17.091 -2.044 -19.661 318 HA LEU 42 HA LEU 42 16.681 -4.152 -21.600 319 1HB LEU 42 HB2 LEU 42 17.753 -4.140 -18.784 320 2HB LEU 42 HB1 LEU 42 17.573 -5.603 -19.731 321 HG LEU 42 HG LEU 42 19.044 -4.260 -21.473 322 1HD1 LEU 42 1HD1 LEU 42 19.585 -2.917 -18.843 323 2HD1 LEU 42 3HD1 LEU 42 20.793 -2.989 -20.126 324 3HD1 LEU 42 2HD1 LEU 42 19.251 -2.181 -20.409 325 1HD2 LEU 42 3HD2 LEU 42 19.577 -6.411 -20.336 326 2HD2 LEU 42 2HD2 LEU 42 20.981 -5.381 -20.614 327 3HD2 LEU 42 1HD2 LEU 42 20.268 -5.483 -19.005 328 HA PRO 43 HA PRO 43 12.835 -5.591 -19.895 329 1HB PRO 43 HB2 PRO 43 12.622 -7.902 -21.203 330 2HB PRO 43 HB1 PRO 43 12.643 -6.366 -22.077 331 1HG PRO 43 HG2 PRO 43 14.788 -8.405 -21.782 332 2HG PRO 43 HG1 PRO 43 14.422 -7.349 -23.155 333 1HD PRO 43 HD2 PRO 43 16.397 -6.935 -21.169 334 2HD PRO 43 HD1 PRO 43 15.868 -5.776 -22.404 335 H ALA 44 HN ALA 44 15.057 -6.039 -18.087 336 HA ALA 44 HA ALA 44 15.231 -8.727 -17.233 337 1HB ALA 44 HB1 ALA 44 15.713 -6.233 -15.609 338 2HB ALA 44 HB3 ALA 44 16.303 -7.856 -15.250 339 3HB ALA 44 HB2 ALA 44 16.893 -6.998 -16.673 340 H VAL 45 HN VAL 45 12.731 -6.427 -16.853 341 HA VAL 45 HA VAL 45 11.632 -6.882 -14.391 342 HB VAL 45 HB VAL 45 10.094 -6.563 -16.975 343 1HG1 VAL 45 3HG1 VAL 45 9.284 -6.240 -14.094 344 2HG1 VAL 45 2HG1 VAL 45 8.375 -5.541 -15.435 345 3HG1 VAL 45 1HG1 VAL 45 8.568 -7.290 -15.316 346 1HG2 VAL 45 3HG2 VAL 45 11.380 -4.598 -15.109 347 2HG2 VAL 45 2HG2 VAL 45 11.486 -4.696 -16.867 348 3HG2 VAL 45 1HG2 VAL 45 9.998 -4.140 -16.103 349 H ASP 46 HN ASP 46 10.882 -8.739 -17.348 350 HA ASP 46 HA ASP 46 9.262 -10.632 -15.974 351 1HB ASP 46 HB2 ASP 46 9.479 -11.953 -18.134 352 2HB ASP 46 HB1 ASP 46 8.790 -10.340 -18.275 353 H GLU 47 HN GLU 47 12.679 -10.546 -16.858 354 HA GLU 47 HA GLU 47 13.212 -13.294 -16.342 355 1HB GLU 47 HB2 GLU 47 14.652 -11.542 -17.603 356 2HB GLU 47 HB1 GLU 47 15.263 -11.118 -16.011 357 1HG GLU 47 HG2 GLU 47 15.380 -13.876 -17.214 358 2HG GLU 47 HG1 GLU 47 16.700 -12.708 -17.236 359 H LYS 48 HN LYS 48 13.977 -10.402 -14.383 360 HA LYS 48 HA LYS 48 14.900 -11.685 -12.108 361 1HB LYS 48 HB2 LYS 48 13.473 -9.051 -12.446 362 2HB LYS 48 HB1 LYS 48 14.117 -9.583 -10.898 363 1HG LYS 48 HG2 LYS 48 15.840 -9.422 -13.347 364 2HG LYS 48 HG1 LYS 48 15.552 -8.021 -12.313 365 1HD LYS 48 HD2 LYS 48 17.362 -8.770 -11.200 366 2HD LYS 48 HD1 LYS 48 16.216 -9.894 -10.467 367 1HE LYS 48 HE2 LYS 48 16.755 -11.490 -12.339 368 2HE LYS 48 HE1 LYS 48 18.058 -10.395 -12.797 369 1HZ LYS 48 HZ3 LYS 48 19.026 -10.696 -10.600 370 2HZ LYS 48 HZ2 LYS 48 17.780 -11.757 -10.172 371 3HZ LYS 48 HZ1 LYS 48 18.867 -12.181 -11.396 372 H LEU 49 HN LEU 49 11.624 -11.378 -13.240 373 HA LEU 49 HA LEU 49 10.268 -11.767 -10.795 374 1HB LEU 49 HB2 LEU 49 9.599 -11.970 -13.670 375 2HB LEU 49 HB1 LEU 49 8.601 -12.930 -12.595 376 HG LEU 49 HG LEU 49 9.041 -10.008 -12.067 377 1HD1 LEU 49 3HD1 LEU 49 7.042 -11.247 -13.947 378 2HD1 LEU 49 2HD1 LEU 49 6.892 -9.621 -13.280 379 3HD1 LEU 49 1HD1 LEU 49 8.258 -10.026 -14.318 380 1HD2 LEU 49 3HD2 LEU 49 6.821 -11.939 -11.396 381 2HD2 LEU 49 2HD2 LEU 49 8.054 -11.337 -10.288 382 3HD2 LEU 49 1HD2 LEU 49 6.860 -10.229 -10.964 383 H ARG 50 HN ARG 50 10.817 -14.117 -13.427 384 HA ARG 50 HA ARG 50 10.264 -16.394 -11.847 385 1HB ARG 50 HB2 ARG 50 11.636 -15.957 -14.482 386 2HB ARG 50 HB1 ARG 50 11.658 -17.546 -13.731 387 1HG ARG 50 HG2 ARG 50 8.996 -16.384 -13.796 388 2HG ARG 50 HG1 ARG 50 9.708 -16.553 -15.401 389 1HD ARG 50 HD2 ARG 50 8.400 -18.536 -14.682 390 2HD ARG 50 HD1 ARG 50 10.084 -18.898 -15.051 391 HE ARG 50 HE ARG 50 10.397 -19.511 -12.871 392 1HH1 ARG 50 1HH1 ARG 50 7.411 -17.688 -13.075 393 2HH1 ARG 50 2HH1 ARG 50 6.944 -18.041 -11.446 394 1HH2 ARG 50 1HH2 ARG 50 9.770 -19.973 -10.730 395 2HH2 ARG 50 2HH2 ARG 50 8.281 -19.337 -10.116 396 H ASP 51 HN ASP 51 13.185 -14.558 -12.506 397 HA ASP 51 HA ASP 51 15.135 -16.326 -11.591 398 1HB ASP 51 HB2 ASP 51 15.427 -14.040 -12.725 399 2HB ASP 51 HB1 ASP 51 15.256 -13.351 -11.114 400 H LEU 52 HN LEU 52 13.658 -13.657 -9.733 401 HA LEU 52 HA LEU 52 14.693 -14.587 -7.245 402 1HB LEU 52 HB2 LEU 52 12.806 -12.438 -8.098 403 2HB LEU 52 HB1 LEU 52 12.843 -12.899 -6.407 404 HG LEU 52 HG LEU 52 15.364 -12.478 -6.507 405 1HD1 LEU 52 2HD1 LEU 52 15.581 -12.455 -8.939 406 2HD1 LEU 52 1HD1 LEU 52 14.548 -11.029 -9.023 407 3HD1 LEU 52 3HD1 LEU 52 16.122 -10.933 -8.233 408 1HD2 LEU 52 3HD2 LEU 52 13.746 -11.003 -5.387 409 2HD2 LEU 52 2HD2 LEU 52 15.079 -10.104 -6.111 410 3HD2 LEU 52 1HD2 LEU 52 13.504 -10.137 -6.904 411 H TYR 53 HN TYR 53 11.988 -15.526 -9.111 412 HA TYR 53 HA TYR 53 10.187 -16.244 -7.046 413 1HB TYR 53 HB2 TYR 53 10.211 -16.324 -9.866 414 2HB TYR 53 HB1 TYR 53 9.950 -17.979 -9.336 415 HD1 TYR 53 HD1 TYR 53 8.112 -18.268 -7.468 416 HD2 TYR 53 HD2 TYR 53 8.384 -14.923 -10.083 417 HE1 TYR 53 HE1 TYR 53 5.738 -17.770 -7.069 418 HE2 TYR 53 HE2 TYR 53 6.012 -14.415 -9.691 419 HH TYR 53 HH TYR 53 4.321 -15.178 -7.390 420 H SER 54 HN SER 54 12.603 -18.118 -8.877 421 HA SER 54 HA SER 54 12.146 -20.591 -7.631 422 1HB SER 54 HB2 SER 54 14.657 -19.479 -8.907 423 2HB SER 54 HB1 SER 54 14.455 -21.163 -8.421 424 HG SER 54 HG SER 54 13.254 -19.750 -10.515 425 H LYS 55 HN LYS 55 14.576 -18.080 -6.910 426 HA LYS 55 HA LYS 55 15.739 -19.369 -4.697 427 1HB LYS 55 HB2 LYS 55 15.599 -16.486 -5.549 428 2HB LYS 55 HB1 LYS 55 16.401 -16.959 -4.059 429 1HG LYS 55 HG2 LYS 55 18.212 -17.088 -5.371 430 2HG LYS 55 HG1 LYS 55 17.557 -18.672 -5.794 431 1HD LYS 55 HD2 LYS 55 16.435 -17.685 -7.735 432 2HD LYS 55 HD1 LYS 55 17.092 -16.103 -7.311 433 1HE LYS 55 HE2 LYS 55 19.347 -16.911 -7.653 434 2HE LYS 55 HE1 LYS 55 18.748 -18.541 -7.958 435 1HZ LYS 55 HZ2 LYS 55 17.547 -17.635 -9.901 436 2HZ LYS 55 HZ1 LYS 55 18.282 -16.134 -9.634 437 3HZ LYS 55 HZ3 LYS 55 19.227 -17.480 -10.032 438 H SER 56 HN SER 56 13.109 -16.982 -4.882 439 HA SER 56 HA SER 56 12.708 -16.689 -2.115 440 1HB SER 56 HB2 SER 56 11.796 -15.133 -3.808 441 2HB SER 56 HB1 SER 56 10.662 -16.381 -4.325 442 HG SER 56 HG SER 56 10.704 -14.864 -1.974 443 H THR 57 HN THR 57 11.044 -18.842 -4.447 444 HA THR 57 HA THR 57 9.228 -19.977 -2.663 445 HB THR 57 HB THR 57 10.524 -21.212 -5.102 446 HG1 THR 57 HG1 THR 57 8.105 -19.774 -4.747 447 1HG2 THR 57 1HG2 THR 57 8.077 -22.057 -3.576 448 2HG2 THR 57 3HG2 THR 57 8.433 -22.565 -5.227 449 3HG2 THR 57 2HG2 THR 57 9.524 -23.006 -3.914 450 H ALA 58 HN ALA 58 12.567 -20.921 -3.416 451 HA ALA 58 HA ALA 58 12.644 -23.338 -2.010 452 1HB ALA 58 HB3 ALA 58 15.097 -22.976 -1.904 453 2HB ALA 58 HB1 ALA 58 14.848 -21.341 -2.519 454 3HB ALA 58 HB2 ALA 58 14.423 -22.732 -3.516 455 H ALA 59 HN ALA 59 13.840 -20.156 -0.891 456 HA ALA 59 HA ALA 59 14.240 -20.932 1.787 457 1HB ALA 59 HB2 ALA 59 13.829 -18.214 0.554 458 2HB ALA 59 HB3 ALA 59 15.357 -18.995 0.961 459 3HB ALA 59 HB1 ALA 59 14.265 -18.470 2.243 460 H MET 60 HN MET 60 11.401 -19.771 0.088 461 HA MET 60 HA MET 60 9.836 -18.991 2.279 462 1HB MET 60 HB2 MET 60 9.347 -19.675 -0.549 463 2HB MET 60 HB1 MET 60 7.964 -19.858 0.519 464 1HG MET 60 HG2 MET 60 9.536 -17.343 0.672 465 2HG MET 60 HG1 MET 60 8.476 -17.591 -0.714 466 1HE MET 60 HE3 MET 60 8.992 -16.910 2.861 467 2HE MET 60 HE2 MET 60 7.405 -16.595 3.560 468 3HE MET 60 HE1 MET 60 7.977 -18.254 3.383 469 H SER 61 HN SER 61 10.723 -22.170 1.218 470 HA SER 61 HA SER 61 8.497 -23.587 2.249 471 1HB SER 61 HB2 SER 61 10.418 -24.383 0.660 472 2HB SER 61 HB1 SER 61 11.245 -24.791 2.163 473 HG SER 61 HG SER 61 9.080 -25.990 0.952 474 H THR 62 HN THR 62 11.153 -22.053 3.778 475 HA THR 62 HA THR 62 10.646 -23.485 6.295 476 HB THR 62 HB THR 62 12.987 -21.674 5.686 477 HG1 THR 62 HG1 THR 62 13.468 -23.260 4.362 478 1HG2 THR 62 3HG2 THR 62 12.583 -23.792 7.786 479 2HG2 THR 62 2HG2 THR 62 14.095 -22.939 7.474 480 3HG2 THR 62 1HG2 THR 62 12.683 -22.050 8.046 481 H TYR 63 HN TYR 63 11.145 -20.219 4.961 482 HA TYR 63 HA TYR 63 10.504 -18.813 7.295 483 1HB TYR 63 HB2 TYR 63 11.061 -18.183 4.500 484 2HB TYR 63 HB1 TYR 63 9.866 -17.106 5.213 485 HD1 TYR 63 HD1 TYR 63 13.129 -17.169 4.441 486 HD2 TYR 63 HD2 TYR 63 10.696 -16.642 7.892 487 HE1 TYR 63 HE1 TYR 63 14.933 -15.886 5.510 488 HE2 TYR 63 HE2 TYR 63 12.493 -15.356 8.970 489 HH TYR 63 HH TYR 63 15.406 -15.421 8.390 490 H THR 64 HN THR 64 8.485 -20.490 5.057 491 HA THR 64 HA THR 64 6.171 -18.864 5.404 492 HB THR 64 HB THR 64 6.652 -21.619 4.335 493 HG1 THR 64 HG1 THR 64 6.778 -20.172 2.761 494 1HG2 THR 64 2HG2 THR 64 3.955 -20.524 5.063 495 2HG2 THR 64 1HG2 THR 64 4.187 -21.723 3.790 496 3HG2 THR 64 3HG2 THR 64 4.644 -22.101 5.452 497 H GLY 65 HN GLY 65 7.064 -22.019 6.789 498 1HA GLY 65 HA1 GLY 65 6.427 -23.015 8.766 499 2HA GLY 65 HA2 GLY 65 4.983 -22.008 8.725 500 H ILE 66 HN ILE 66 8.312 -20.865 8.686 501 HA ILE 66 HA ILE 66 8.576 -20.296 11.440 502 HB ILE 66 HB ILE 66 9.993 -19.223 9.008 503 1HG1 ILE 66 2HG1 ILE 66 10.416 -21.570 9.730 504 2HG1 ILE 66 1HG1 ILE 66 11.851 -20.553 9.810 505 1HG2 ILE 66 2HG2 ILE 66 10.307 -18.396 11.872 506 2HG2 ILE 66 1HG2 ILE 66 11.659 -18.316 10.744 507 3HG2 ILE 66 3HG2 ILE 66 10.193 -17.389 10.429 508 1HD1 ILE 66 3HD1 ILE 66 11.545 -20.328 12.225 509 2HD1 ILE 66 2HD1 ILE 66 10.118 -21.359 12.136 510 3HD1 ILE 66 1HD1 ILE 66 11.705 -22.014 11.736 511 H PHE 67 HN PHE 67 7.957 -18.070 8.707 512 HA PHE 67 HA PHE 67 7.500 -15.753 10.151 513 1HB PHE 67 HB2 PHE 67 6.471 -16.724 7.510 514 2HB PHE 67 HB1 PHE 67 5.809 -15.246 8.193 515 HD1 PHE 67 HD1 PHE 67 7.600 -15.863 5.644 516 HD2 PHE 67 HD2 PHE 67 8.329 -14.209 9.499 517 HE1 PHE 67 HE1 PHE 67 9.500 -14.591 4.736 518 HE2 PHE 67 HE2 PHE 67 10.231 -12.936 8.596 519 HZ PHE 67 HZ PHE 67 10.818 -13.125 6.213 520 H THR 68 HN THR 68 5.008 -18.054 9.050 521 HA THR 68 HA THR 68 2.884 -16.828 10.433 522 HB THR 68 HB THR 68 1.643 -18.921 10.005 523 HG1 THR 68 HG1 THR 68 2.983 -20.575 10.137 524 1HG2 THR 68 2HG2 THR 68 3.284 -17.968 7.672 525 2HG2 THR 68 1HG2 THR 68 1.871 -19.017 7.552 526 3HG2 THR 68 3HG2 THR 68 1.701 -17.375 8.175 527 H ASP 69 HN ASP 69 5.391 -18.900 11.525 528 HA ASP 69 HA ASP 69 4.160 -20.198 13.676 529 1HB ASP 69 HB2 ASP 69 6.752 -20.025 12.696 530 2HB ASP 69 HB1 ASP 69 6.873 -19.326 14.307 531 H GLN 70 HN GLN 70 6.022 -17.147 13.762 532 HA GLN 70 HA GLN 70 5.267 -16.538 16.436 533 1HB GLN 70 HB2 GLN 70 6.771 -15.186 14.274 534 2HB GLN 70 HB1 GLN 70 6.039 -14.133 15.477 535 1HG GLN 70 HG2 GLN 70 7.798 -16.458 16.197 536 2HG GLN 70 HG1 GLN 70 8.417 -14.834 15.906 537 1HE2 GLN 70 1HE2 GLN 70 6.645 -16.888 18.059 538 2HE2 GLN 70 2HE2 GLN 70 6.555 -15.777 19.379 539 H VAL 71 HN VAL 71 3.772 -15.980 13.361 540 HA VAL 71 HA VAL 71 2.106 -13.798 14.099 541 HB VAL 71 HB VAL 71 1.719 -15.889 11.941 542 1HG1 VAL 71 1HG1 VAL 71 0.219 -13.348 12.531 543 2HG1 VAL 71 3HG1 VAL 71 0.187 -14.136 10.953 544 3HG1 VAL 71 2HG1 VAL 71 -0.423 -14.984 12.374 545 1HG2 VAL 71 3HG2 VAL 71 3.701 -14.115 11.995 546 2HG2 VAL 71 2HG2 VAL 71 2.880 -14.564 10.500 547 3HG2 VAL 71 1HG2 VAL 71 2.438 -13.075 11.336 548 H LEU 72 HN LEU 72 1.509 -17.277 13.762 549 HA LEU 72 HA LEU 72 -1.074 -17.336 14.834 550 1HB LEU 72 HB2 LEU 72 0.123 -19.206 13.614 551 2HB LEU 72 HB1 LEU 72 0.996 -19.517 15.102 552 HG LEU 72 HG LEU 72 -1.258 -19.874 16.209 553 1HD1 LEU 72 1HD1 LEU 72 -2.166 -19.959 13.336 554 2HD1 LEU 72 3HD1 LEU 72 -3.124 -20.444 14.736 555 3HD1 LEU 72 2HD1 LEU 72 -2.637 -18.761 14.541 556 1HD2 LEU 72 1HD2 LEU 72 0.283 -21.691 15.530 557 2HD2 LEU 72 3HD2 LEU 72 -1.417 -22.156 15.461 558 3HD2 LEU 72 2HD2 LEU 72 -0.546 -21.770 13.976 559 H SER 73 HN SER 73 2.116 -17.317 16.290 560 HA SER 73 HA SER 73 1.436 -18.022 18.906 561 1HB SER 73 HB2 SER 73 3.775 -17.722 17.912 562 2HB SER 73 HB1 SER 73 3.569 -16.000 18.230 563 HG SER 73 HG SER 73 4.159 -16.428 20.188 564 H VAL 74 HN VAL 74 1.335 -14.875 17.298 565 HA VAL 74 HA VAL 74 0.622 -13.458 19.680 566 HB VAL 74 HB VAL 74 0.250 -11.536 18.350 567 1HG1 VAL 74 2HG1 VAL 74 2.612 -12.788 18.359 568 2HG1 VAL 74 1HG1 VAL 74 2.333 -12.712 16.619 569 3HG1 VAL 74 3HG1 VAL 74 2.348 -11.230 17.576 570 1HG2 VAL 74 1HG2 VAL 74 -0.863 -13.282 16.482 571 2HG2 VAL 74 3HG2 VAL 74 -0.720 -11.531 16.351 572 3HG2 VAL 74 2HG2 VAL 74 0.531 -12.570 15.673 573 H LEU 75 HN LEU 75 -1.108 -15.501 17.564 574 HA LEU 75 HA LEU 75 -3.691 -14.369 17.745 575 1HB LEU 75 HB2 LEU 75 -2.690 -16.356 16.285 576 2HB LEU 75 HB1 LEU 75 -3.375 -17.319 17.580 577 HG LEU 75 HG LEU 75 -5.257 -15.337 16.570 578 1HD1 LEU 75 1HD1 LEU 75 -4.047 -15.706 14.483 579 2HD1 LEU 75 3HD1 LEU 75 -4.261 -17.447 14.661 580 3HD1 LEU 75 2HD1 LEU 75 -5.664 -16.407 14.420 581 1HD2 LEU 75 3HD2 LEU 75 -5.817 -17.236 18.035 582 2HD2 LEU 75 2HD2 LEU 75 -6.735 -17.253 16.529 583 3HD2 LEU 75 1HD2 LEU 75 -5.367 -18.346 16.740 584 H LYS 76 HN LYS 76 -1.898 -16.602 19.732 585 HA LYS 76 HA LYS 76 -4.037 -17.258 21.501 586 1HB LYS 76 HB2 LYS 76 -1.045 -17.482 21.882 587 2HB LYS 76 HB1 LYS 76 -2.252 -18.194 22.944 588 1HG LYS 76 HG2 LYS 76 -2.136 -20.018 21.692 589 2HG LYS 76 HG1 LYS 76 -2.938 -19.106 20.413 590 1HD LYS 76 HD2 LYS 76 -0.645 -18.315 19.705 591 2HD LYS 76 HD1 LYS 76 0.019 -19.505 20.826 592 1HE LYS 76 HE2 LYS 76 -1.323 -21.247 19.606 593 2HE LYS 76 HE1 LYS 76 -1.699 -20.013 18.404 594 1HZ LYS 76 HZ3 LYS 76 1.072 -20.780 19.137 595 2HZ LYS 76 HZ2 LYS 76 0.224 -21.482 17.854 596 3HZ LYS 76 HZ1 LYS 76 0.577 -19.830 17.828 597 H GLY 77 HN GLY 77 -1.420 -14.867 21.569 598 1HA GLY 77 HA1 GLY 77 -1.007 -13.095 22.971 599 2HA GLY 77 HA2 GLY 77 -1.907 -13.953 24.214 600 H GLU 78 HN GLU 78 -2.446 -12.105 21.209 601 HA GLU 78 HA GLU 78 -5.064 -11.258 22.187 602 1HB GLU 78 HB2 GLU 78 -2.909 -9.688 22.764 603 2HB GLU 78 HB1 GLU 78 -3.420 -9.007 21.226 604 1HG GLU 78 HG2 GLU 78 -5.359 -9.456 23.467 605 2HG GLU 78 HG1 GLU 78 -4.374 -7.997 23.366 606 H GLU 79 HN GLU 79 -4.375 -12.934 19.984 607 HA GLU 79 HA GLU 79 -5.144 -13.265 17.866 608 1HB GLU 79 HB2 GLU 79 -6.728 -11.224 18.625 609 2HB GLU 79 HB1 GLU 79 -5.835 -10.430 17.335 610 1HG GLU 79 HG2 GLU 79 -7.433 -12.969 17.087 611 2HG GLU 79 HG1 GLU 79 -7.910 -11.373 16.512 No H/Q in entry = 611 Start of MODEL 44 1 H1 THR 1 HT3 THR 1 9.988 -8.799 39.404 2 H2 THR 1 HT2 THR 1 9.732 -10.360 40.069 3 H3 THR 1 HT1 THR 1 11.315 -9.699 40.008 4 HA THR 1 HA THR 1 11.404 -9.834 37.706 5 HB THR 1 HB THR 1 10.869 -12.327 37.404 6 HG1 THR 1 HG1 THR 1 9.562 -13.114 38.824 7 1HG2 THR 1 3HG2 THR 1 13.070 -11.503 38.186 8 2HG2 THR 1 2HG2 THR 1 12.491 -11.661 39.845 9 3HG2 THR 1 1HG2 THR 1 12.630 -13.089 38.819 10 H GLN 2 HN GLN 2 8.239 -11.186 38.700 11 HA GLN 2 HA GLN 2 7.157 -10.876 36.054 12 1HB GLN 2 HB2 GLN 2 6.552 -12.646 37.864 13 2HB GLN 2 HB1 GLN 2 5.495 -11.394 38.502 14 1HG GLN 2 HG2 GLN 2 5.330 -12.097 35.612 15 2HG GLN 2 HG1 GLN 2 4.607 -13.173 36.806 16 1HE2 GLN 2 1HE2 GLN 2 4.219 -10.358 34.979 17 2HE2 GLN 2 2HE2 GLN 2 2.759 -9.791 35.708 18 H GLN 3 HN GLN 3 6.532 -8.982 35.264 19 HA GLN 3 HA GLN 3 5.347 -7.007 37.104 20 1HB GLN 3 HB2 GLN 3 7.032 -6.576 34.635 21 2HB GLN 3 HB1 GLN 3 6.142 -5.290 35.436 22 1HG GLN 3 HG2 GLN 3 8.359 -6.941 36.625 23 2HG GLN 3 HG1 GLN 3 8.458 -5.259 36.111 24 1HE2 GLN 3 1HE2 GLN 3 6.857 -3.779 37.208 25 2HE2 GLN 3 2HE2 GLN 3 6.609 -4.021 38.901 26 HA PRO 4 HA PRO 4 1.510 -7.118 34.933 27 1HB PRO 4 HB2 PRO 4 1.648 -4.142 34.976 28 2HB PRO 4 HB1 PRO 4 0.363 -5.218 35.534 29 1HG PRO 4 HG2 PRO 4 1.966 -4.010 37.278 30 2HG PRO 4 HG1 PRO 4 1.442 -5.685 37.535 31 1HD PRO 4 HD2 PRO 4 4.078 -4.644 36.589 32 2HD PRO 4 HD1 PRO 4 3.722 -6.025 37.646 33 H GLN 5 HN GLN 5 4.011 -4.895 33.765 34 HA GLN 5 HA GLN 5 2.841 -4.510 31.190 35 1HB GLN 5 HB2 GLN 5 4.414 -2.897 32.218 36 2HB GLN 5 HB1 GLN 5 5.704 -4.082 32.074 37 1HG GLN 5 HG2 GLN 5 5.665 -2.295 30.318 38 2HG GLN 5 HG1 GLN 5 5.695 -3.951 29.719 39 1HE2 GLN 5 1HE2 GLN 5 3.498 -1.271 30.447 40 2HE2 GLN 5 2HE2 GLN 5 2.359 -1.637 29.202 41 H GLN 6 HN GLN 6 2.411 -6.503 30.281 42 HA GLN 6 HA GLN 6 4.285 -8.624 30.111 43 1HB GLN 6 HB2 GLN 6 1.841 -8.083 28.414 44 2HB GLN 6 HB1 GLN 6 2.722 -9.603 28.473 45 1HG GLN 6 HG2 GLN 6 1.245 -8.323 30.763 46 2HG GLN 6 HG1 GLN 6 0.698 -9.701 29.810 47 1HE2 GLN 6 1HE2 GLN 6 2.681 -8.630 32.398 48 2HE2 GLN 6 2HE2 GLN 6 3.276 -10.178 32.877 49 H ASP 7 HN ASP 7 3.281 -6.125 27.783 50 HA ASP 7 HA ASP 7 5.013 -7.025 25.708 51 1HB ASP 7 HB2 ASP 7 3.045 -5.726 25.151 52 2HB ASP 7 HB1 ASP 7 3.611 -4.376 26.129 53 H GLU 8 HN GLU 8 7.020 -6.334 25.095 54 HA GLU 8 HA GLU 8 8.726 -5.280 27.117 55 1HB GLU 8 HB2 GLU 8 9.536 -6.899 25.473 56 2HB GLU 8 HB1 GLU 8 9.235 -5.755 24.173 57 1HG GLU 8 HG2 GLU 8 10.883 -4.397 25.964 58 2HG GLU 8 HG1 GLU 8 11.532 -6.034 25.884 59 H MET 9 HN MET 9 8.291 -3.221 27.719 60 HA MET 9 HA MET 9 7.583 -1.143 25.919 61 1HB MET 9 HB2 MET 9 7.621 -1.483 28.697 62 2HB MET 9 HB1 MET 9 8.741 -0.163 28.388 63 1HG MET 9 HG2 MET 9 6.524 0.690 28.806 64 2HG MET 9 HG1 MET 9 7.003 1.020 27.143 65 1HE MET 9 HE2 MET 9 4.027 0.804 28.780 66 2HE MET 9 HE1 MET 9 4.177 1.564 27.195 67 3HE MET 9 HE3 MET 9 3.011 0.265 27.443 68 HA PRO 10 HA PRO 10 12.116 0.450 26.479 69 1HB PRO 10 HB2 PRO 10 13.943 -1.260 27.543 70 2HB PRO 10 HB1 PRO 10 12.999 -0.126 28.515 71 1HG PRO 10 HG2 PRO 10 12.549 -3.047 28.041 72 2HG PRO 10 HG1 PRO 10 12.421 -2.125 29.551 73 1HD PRO 10 HD2 PRO 10 10.257 -2.827 28.091 74 2HD PRO 10 HD1 PRO 10 10.322 -1.324 29.032 75 H SER 11 HN SER 11 12.586 0.426 24.364 76 HA SER 11 HA SER 11 12.829 -1.967 22.829 77 1HB SER 11 HB2 SER 11 12.037 0.239 21.922 78 2HB SER 11 HB1 SER 11 13.698 0.821 22.035 79 HG SER 11 HG SER 11 14.268 -0.421 20.391 80 HA PRO 12 HA PRO 12 17.165 -2.625 23.651 81 1HB PRO 12 HB2 PRO 12 17.490 -4.843 22.193 82 2HB PRO 12 HB1 PRO 12 16.509 -4.850 23.664 83 1HG PRO 12 HG2 PRO 12 15.639 -4.751 20.806 84 2HG PRO 12 HG1 PRO 12 14.941 -5.659 22.159 85 1HD PRO 12 HD2 PRO 12 13.968 -3.254 21.202 86 2HD PRO 12 HD1 PRO 12 13.669 -3.891 22.829 87 H THR 13 HN THR 13 19.112 -3.388 22.118 88 HA THR 13 HA THR 13 19.497 -1.263 20.253 89 HB THR 13 HB THR 13 21.243 -3.705 20.609 90 HG1 THR 13 HG1 THR 13 21.198 -1.293 22.100 91 1HG2 THR 13 2HG2 THR 13 21.878 -0.905 19.713 92 2HG2 THR 13 1HG2 THR 13 23.073 -2.155 20.061 93 3HG2 THR 13 3HG2 THR 13 21.933 -2.370 18.733 94 H PHE 14 HN PHE 14 17.734 -1.666 18.797 95 HA PHE 14 HA PHE 14 18.522 -3.123 16.477 96 1HB PHE 14 HB2 PHE 14 17.591 -4.947 17.957 97 2HB PHE 14 HB1 PHE 14 16.031 -4.139 17.861 98 HD1 PHE 14 HD1 PHE 14 14.668 -4.311 15.919 99 HD2 PHE 14 HD2 PHE 14 18.596 -5.950 15.941 100 HE1 PHE 14 HE1 PHE 14 14.173 -5.514 13.832 101 HE2 PHE 14 HE2 PHE 14 18.108 -7.156 13.853 102 HZ PHE 14 HZ PHE 14 15.894 -6.939 12.796 103 H LEU 15 HN LEU 15 15.474 -2.082 18.038 104 HA LEU 15 HA LEU 15 14.304 -1.070 15.684 105 1HB LEU 15 HB2 LEU 15 13.446 -1.510 18.241 106 2HB LEU 15 HB1 LEU 15 13.514 0.241 18.197 107 HG LEU 15 HG LEU 15 12.118 0.048 16.039 108 1HD1 LEU 15 3HD1 LEU 15 11.623 -2.677 17.231 109 2HD1 LEU 15 2HD1 LEU 15 10.712 -1.948 15.909 110 3HD1 LEU 15 1HD1 LEU 15 12.417 -2.343 15.692 111 1HD2 LEU 15 2HD2 LEU 15 10.930 -0.697 18.710 112 2HD2 LEU 15 1HD2 LEU 15 11.259 0.938 18.137 113 3HD2 LEU 15 3HD2 LEU 15 10.040 -0.049 17.330 114 H THR 16 HN THR 16 15.995 0.587 18.343 115 HA THR 16 HA THR 16 15.817 3.199 17.373 116 HB THR 16 HB THR 16 17.905 3.588 18.764 117 HG1 THR 16 HG1 THR 16 18.955 1.707 18.828 118 1HG2 THR 16 1HG2 THR 16 15.647 3.787 19.731 119 2HG2 THR 16 3HG2 THR 16 15.720 2.082 20.180 120 3HG2 THR 16 2HG2 THR 16 16.855 3.231 20.890 121 H GLN 17 HN GLN 17 17.845 0.577 16.329 122 HA GLN 17 HA GLN 17 19.955 2.003 15.157 123 1HB GLN 17 HB2 GLN 17 19.643 -0.548 15.571 124 2HB GLN 17 HB1 GLN 17 18.908 -0.547 13.974 125 1HG GLN 17 HG2 GLN 17 21.573 0.727 14.310 126 2HG GLN 17 HG1 GLN 17 21.467 -1.032 14.316 127 1HE2 GLN 17 1HE2 GLN 17 19.856 -1.793 12.465 128 2HE2 GLN 17 2HE2 GLN 17 20.232 -1.139 10.912 129 H VAL 18 HN VAL 18 16.711 1.331 14.000 130 HA VAL 18 HA VAL 18 16.594 1.492 11.381 131 HB VAL 18 HB VAL 18 14.658 3.100 11.515 132 1HG1 VAL 18 2HG1 VAL 18 14.882 0.579 13.091 133 2HG1 VAL 18 1HG1 VAL 18 13.379 1.500 13.136 134 3HG1 VAL 18 3HG1 VAL 18 14.001 0.903 11.599 135 1HG2 VAL 18 2HG2 VAL 18 15.688 3.326 14.293 136 2HG2 VAL 18 1HG2 VAL 18 14.919 4.536 13.266 137 3HG2 VAL 18 3HG2 VAL 18 13.940 3.305 14.063 138 H LYS 19 HN LYS 19 17.216 4.462 13.277 139 HA LYS 19 HA LYS 19 17.373 6.280 11.209 140 1HB LYS 19 HB2 LYS 19 18.921 6.174 13.799 141 2HB LYS 19 HB1 LYS 19 18.964 7.553 12.709 142 1HG LYS 19 HG2 LYS 19 16.287 6.612 13.526 143 2HG LYS 19 HG1 LYS 19 17.281 7.356 14.779 144 1HD LYS 19 HD2 LYS 19 16.205 9.201 13.927 145 2HD LYS 19 HD1 LYS 19 17.671 9.193 12.947 146 1HE LYS 19 HE2 LYS 19 15.868 9.550 11.455 147 2HE LYS 19 HE1 LYS 19 16.379 7.877 11.229 148 1HZ LYS 19 HZ2 LYS 19 14.121 8.657 12.988 149 2HZ LYS 19 HZ1 LYS 19 13.923 8.243 11.360 150 3HZ LYS 19 HZ3 LYS 19 14.527 7.104 12.456 151 H GLU 20 HN GLU 20 20.156 4.591 12.667 152 HA GLU 20 HA GLU 20 22.017 5.440 10.725 153 1HB GLU 20 HB2 GLU 20 22.248 2.900 12.331 154 2HB GLU 20 HB1 GLU 20 23.549 3.897 11.699 155 1HG GLU 20 HG2 GLU 20 23.654 4.698 13.779 156 2HG GLU 20 HG1 GLU 20 22.265 5.670 13.299 157 H SER 21 HN SER 21 19.730 2.842 10.811 158 HA SER 21 HA SER 21 20.841 1.152 8.851 159 1HB SER 21 HB2 SER 21 18.719 0.928 10.489 160 2HB SER 21 HB1 SER 21 17.881 1.360 8.999 161 HG SER 21 HG SER 21 18.450 -0.495 8.121 162 H LEU 22 HN LEU 22 18.663 3.933 8.618 163 HA LEU 22 HA LEU 22 18.221 3.702 5.813 164 1HB LEU 22 HB2 LEU 22 16.985 5.074 7.755 165 2HB LEU 22 HB1 LEU 22 18.010 6.353 7.131 166 HG LEU 22 HG LEU 22 16.285 4.756 5.269 167 1HD1 LEU 22 3HD1 LEU 22 15.421 7.165 6.863 168 2HD1 LEU 22 2HD1 LEU 22 14.520 6.429 5.538 169 3HD1 LEU 22 1HD1 LEU 22 14.792 5.526 7.027 170 1HD2 LEU 22 1HD2 LEU 22 17.588 7.462 5.240 171 2HD2 LEU 22 3HD2 LEU 22 17.809 6.118 4.120 172 3HD2 LEU 22 2HD2 LEU 22 16.302 7.031 4.114 173 H SER 23 HN SER 23 20.492 5.546 7.814 174 HA SER 23 HA SER 23 21.612 7.131 5.799 175 1HB SER 23 HB2 SER 23 23.039 6.031 8.233 176 2HB SER 23 HB1 SER 23 23.500 7.455 7.300 177 HG SER 23 HG SER 23 21.529 7.147 9.210 178 H SER 24 HN SER 24 22.829 4.056 7.134 179 HA SER 24 HA SER 24 24.890 3.728 5.232 180 1HB SER 24 HB2 SER 24 24.954 1.377 6.023 181 2HB SER 24 HB1 SER 24 24.923 2.530 7.357 182 HG SER 24 HG SER 24 22.972 1.871 7.903 183 H TYR 25 HN TYR 25 21.492 3.304 4.988 184 HA TYR 25 HA TYR 25 21.558 1.338 2.885 185 1HB TYR 25 HB2 TYR 25 19.573 1.255 4.122 186 2HB TYR 25 HB1 TYR 25 19.405 3.005 4.156 187 HD1 TYR 25 HD1 TYR 25 18.179 4.147 2.477 188 HD2 TYR 25 HD2 TYR 25 19.081 0.017 1.994 189 HE1 TYR 25 HE1 TYR 25 16.641 4.042 0.563 190 HE2 TYR 25 HE2 TYR 25 17.546 -0.100 0.077 191 HH TYR 25 HH TYR 25 16.624 2.081 -1.679 192 H TRP 26 HN TRP 26 21.088 4.853 3.101 193 HA TRP 26 HA TRP 26 20.579 5.297 0.369 194 1HB TRP 26 HB2 TRP 26 20.327 6.878 2.449 195 2HB TRP 26 HB1 TRP 26 21.971 7.357 2.038 196 HD1 TRP 26 HD1 TRP 26 22.038 9.419 0.539 197 HE1 TRP 26 HE1 TRP 26 20.511 10.460 -1.252 198 HE3 TRP 26 HE3 TRP 26 18.309 5.922 0.518 199 HZ2 TRP 26 HZ2 TRP 26 18.051 9.877 -2.507 200 HZ3 TRP 26 HZ3 TRP 26 16.404 6.238 -1.007 201 HH2 TRP 26 HH2 TRP 26 16.279 8.175 -2.487 202 H GLU 27 HN GLU 27 23.567 5.106 2.206 203 HA GLU 27 HA GLU 27 25.476 6.158 0.603 204 1HB GLU 27 HB2 GLU 27 25.384 3.926 2.505 205 2HB GLU 27 HB1 GLU 27 26.666 3.777 1.312 206 1HG GLU 27 HG2 GLU 27 27.646 4.891 3.111 207 2HG GLU 27 HG1 GLU 27 27.311 6.155 1.929 208 H SER 28 HN SER 28 24.305 2.809 0.322 209 HA SER 28 HA SER 28 25.471 2.583 -2.337 210 1HB SER 28 HB2 SER 28 24.069 0.575 -0.560 211 2HB SER 28 HB1 SER 28 24.682 0.204 -2.172 212 HG SER 28 HG SER 28 26.071 0.715 0.196 213 H ALA 29 HN ALA 29 22.470 3.452 -0.949 214 HA ALA 29 HA ALA 29 20.646 2.382 -2.802 215 1HB ALA 29 HB2 ALA 29 19.995 3.442 -0.671 216 2HB ALA 29 HB1 ALA 29 20.408 5.014 -1.354 217 3HB ALA 29 HB3 ALA 29 19.094 4.067 -2.050 218 H LYS 30 HN LYS 30 22.771 5.166 -3.023 219 HA LYS 30 HA LYS 30 21.588 6.595 -5.072 220 1HB LYS 30 HB2 LYS 30 24.502 6.163 -4.432 221 2HB LYS 30 HB1 LYS 30 23.958 7.284 -5.672 222 1HG LYS 30 HG2 LYS 30 23.128 8.777 -4.161 223 2HG LYS 30 HG1 LYS 30 22.792 7.537 -2.952 224 1HD LYS 30 HD2 LYS 30 25.190 7.321 -2.507 225 2HD LYS 30 HD1 LYS 30 25.529 8.555 -3.723 226 1HE LYS 30 HE2 LYS 30 23.935 10.032 -2.314 227 2HE LYS 30 HE1 LYS 30 24.227 8.848 -1.041 228 1HZ LYS 30 HZ2 LYS 30 26.325 10.406 -2.455 229 2HZ LYS 30 HZ1 LYS 30 25.752 10.721 -0.896 230 3HZ LYS 30 HZ3 LYS 30 26.592 9.287 -1.215 231 H THR 31 HN THR 31 23.989 3.985 -5.441 232 HA THR 31 HA THR 31 24.155 3.884 -8.185 233 HB THR 31 HB THR 31 25.383 2.467 -6.382 234 HG1 THR 31 HG1 THR 31 26.127 2.039 -8.316 235 1HG2 THR 31 1HG2 THR 31 23.136 1.308 -5.759 236 2HG2 THR 31 3HG2 THR 31 23.491 0.307 -7.166 237 3HG2 THR 31 2HG2 THR 31 24.632 0.377 -5.823 238 H ALA 32 HN ALA 32 21.643 2.641 -6.073 239 HA ALA 32 HA ALA 32 20.216 1.136 -7.984 240 1HB ALA 32 HB1 ALA 32 18.775 2.556 -5.792 241 2HB ALA 32 HB3 ALA 32 18.573 0.910 -6.393 242 3HB ALA 32 HB2 ALA 32 19.957 1.315 -5.378 243 H ALA 33 HN ALA 33 20.018 4.553 -7.004 244 HA ALA 33 HA ALA 33 17.784 5.357 -8.406 245 1HB ALA 33 HB2 ALA 33 19.229 6.754 -6.866 246 2HB ALA 33 HB1 ALA 33 20.278 7.028 -8.256 247 3HB ALA 33 HB3 ALA 33 18.602 7.573 -8.296 248 H GLN 34 HN GLN 34 21.123 5.404 -9.644 249 HA GLN 34 HA GLN 34 20.384 6.091 -12.286 250 1HB GLN 34 HB2 GLN 34 22.859 4.641 -11.314 251 2HB GLN 34 HB1 GLN 34 22.664 5.371 -12.902 252 1HG GLN 34 HG2 GLN 34 23.128 7.420 -12.148 253 2HG GLN 34 HG1 GLN 34 22.157 7.213 -10.692 254 1HE2 GLN 34 1HE2 GLN 34 23.119 6.054 -8.905 255 2HE2 GLN 34 2HE2 GLN 34 24.832 6.089 -8.688 256 H ASN 35 HN ASN 35 20.791 3.038 -10.591 257 HA ASN 35 HA ASN 35 20.644 1.324 -12.822 258 1HB ASN 35 HB2 ASN 35 21.300 0.747 -10.400 259 2HB ASN 35 HB1 ASN 35 19.571 0.603 -10.101 260 1HD2 ASN 35 1HD2 ASN 35 18.414 -1.075 -11.075 261 2HD2 ASN 35 2HD2 ASN 35 19.204 -2.453 -11.753 262 H LEU 36 HN LEU 36 18.198 3.050 -11.067 263 HA LEU 36 HA LEU 36 15.912 1.605 -11.781 264 1HB LEU 36 HB2 LEU 36 16.171 3.669 -10.215 265 2HB LEU 36 HB1 LEU 36 15.959 4.612 -11.678 266 HG LEU 36 HG LEU 36 13.920 2.526 -11.122 267 1HD1 LEU 36 1HD1 LEU 36 14.309 3.558 -8.915 268 2HD1 LEU 36 3HD1 LEU 36 13.982 5.141 -9.623 269 3HD1 LEU 36 2HD1 LEU 36 12.711 3.919 -9.569 270 1HD2 LEU 36 3HD2 LEU 36 13.844 5.355 -12.165 271 2HD2 LEU 36 2HD2 LEU 36 13.746 3.875 -13.118 272 3HD2 LEU 36 1HD2 LEU 36 12.442 4.297 -12.009 273 H TYR 37 HN TYR 37 17.679 4.207 -13.347 274 HA TYR 37 HA TYR 37 16.087 4.386 -15.683 275 1HB TYR 37 HB2 TYR 37 18.098 5.893 -14.690 276 2HB TYR 37 HB1 TYR 37 18.987 4.982 -15.907 277 HD1 TYR 37 HD1 TYR 37 18.318 5.148 -18.300 278 HD2 TYR 37 HD2 TYR 37 16.581 7.623 -15.307 279 HE1 TYR 37 HE1 TYR 37 17.500 6.673 -20.046 280 HE2 TYR 37 HE2 TYR 37 15.758 9.154 -17.046 281 HH TYR 37 HH TYR 37 16.773 9.547 -19.785 282 H GLU 38 HN GLU 38 18.818 2.399 -14.731 283 HA GLU 38 HA GLU 38 19.528 1.323 -17.209 284 1HB GLU 38 HB2 GLU 38 20.926 1.026 -15.242 285 2HB GLU 38 HB1 GLU 38 19.683 0.051 -14.472 286 1HG GLU 38 HG2 GLU 38 20.656 -0.876 -17.103 287 2HG GLU 38 HG1 GLU 38 21.777 -0.992 -15.748 288 H LYS 39 HN LYS 39 17.472 -0.187 -14.743 289 HA LYS 39 HA LYS 39 16.624 -2.342 -16.315 290 1HB LYS 39 HB2 LYS 39 15.397 -1.035 -13.891 291 2HB LYS 39 HB1 LYS 39 14.756 -2.502 -14.615 292 1HG LYS 39 HG2 LYS 39 17.617 -2.309 -13.739 293 2HG LYS 39 HG1 LYS 39 16.326 -2.736 -12.614 294 1HD LYS 39 HD2 LYS 39 15.810 -4.708 -13.783 295 2HD LYS 39 HD1 LYS 39 16.696 -4.189 -15.218 296 1HE LYS 39 HE2 LYS 39 18.543 -4.197 -13.091 297 2HE LYS 39 HE1 LYS 39 17.620 -5.693 -12.958 298 1HZ LYS 39 HZ2 LYS 39 18.824 -4.809 -15.515 299 2HZ LYS 39 HZ1 LYS 39 19.674 -5.753 -14.398 300 3HZ LYS 39 HZ3 LYS 39 18.256 -6.348 -15.103 301 H THR 40 HN THR 40 15.806 0.918 -16.706 302 HA THR 40 HA THR 40 13.073 0.661 -17.428 303 HB THR 40 HB THR 40 15.042 2.719 -18.441 304 HG1 THR 40 HG1 THR 40 13.498 2.683 -16.065 305 1HG2 THR 40 2HG2 THR 40 12.053 2.818 -18.133 306 2HG2 THR 40 1HG2 THR 40 13.077 4.203 -18.508 307 3HG2 THR 40 3HG2 THR 40 12.968 2.854 -19.640 308 H TYR 41 HN TYR 41 15.967 1.017 -19.443 309 HA TYR 41 HA TYR 41 14.684 0.388 -21.883 310 1HB TYR 41 HB2 TYR 41 17.017 1.525 -21.340 311 2HB TYR 41 HB1 TYR 41 17.604 -0.121 -21.542 312 HD1 TYR 41 HD1 TYR 41 16.210 2.803 -23.215 313 HD2 TYR 41 HD2 TYR 41 17.441 -1.238 -23.723 314 HE1 TYR 41 HE1 TYR 41 16.228 3.121 -25.652 315 HE2 TYR 41 HE2 TYR 41 17.463 -0.931 -26.162 316 HH TYR 41 HH TYR 41 15.986 1.094 -27.775 317 H LEU 42 HN LEU 42 16.551 -1.590 -19.599 318 HA LEU 42 HA LEU 42 16.487 -3.944 -21.217 319 1HB LEU 42 HB2 LEU 42 17.297 -3.327 -18.406 320 2HB LEU 42 HB1 LEU 42 17.113 -4.999 -18.900 321 HG LEU 42 HG LEU 42 18.713 -4.328 -20.852 322 1HD1 LEU 42 3HD1 LEU 42 19.222 -2.159 -18.826 323 2HD1 LEU 42 2HD1 LEU 42 20.363 -2.614 -20.091 324 3HD1 LEU 42 1HD1 LEU 42 18.780 -1.967 -20.522 325 1HD2 LEU 42 1HD2 LEU 42 19.521 -4.762 -17.987 326 2HD2 LEU 42 3HD2 LEU 42 19.370 -5.961 -19.273 327 3HD2 LEU 42 2HD2 LEU 42 20.673 -4.772 -19.322 328 HA PRO 43 HA PRO 43 12.531 -5.487 -19.850 329 1HB PRO 43 HB2 PRO 43 12.479 -7.705 -21.315 330 2HB PRO 43 HB1 PRO 43 12.495 -6.116 -22.090 331 1HG PRO 43 HG2 PRO 43 14.691 -8.102 -21.799 332 2HG PRO 43 HG1 PRO 43 14.369 -6.965 -23.119 333 1HD PRO 43 HD2 PRO 43 16.200 -6.628 -20.978 334 2HD PRO 43 HD1 PRO 43 15.728 -5.415 -22.182 335 H ALA 44 HN ALA 44 14.785 -6.014 -18.026 336 HA ALA 44 HA ALA 44 14.963 -8.744 -17.335 337 1HB ALA 44 HB2 ALA 44 15.442 -6.335 -15.591 338 2HB ALA 44 HB1 ALA 44 16.005 -7.977 -15.282 339 3HB ALA 44 HB3 ALA 44 16.624 -7.077 -16.667 340 H VAL 45 HN VAL 45 12.444 -6.498 -16.808 341 HA VAL 45 HA VAL 45 11.346 -7.034 -14.391 342 HB VAL 45 HB VAL 45 9.075 -6.743 -15.469 343 1HG1 VAL 45 1HG1 VAL 45 10.403 -4.886 -14.567 344 2HG1 VAL 45 3HG1 VAL 45 11.177 -4.687 -16.139 345 3HG1 VAL 45 2HG1 VAL 45 9.447 -4.397 -15.966 346 1HG2 VAL 45 2HG2 VAL 45 10.795 -6.739 -17.926 347 2HG2 VAL 45 1HG2 VAL 45 9.265 -7.566 -17.638 348 3HG2 VAL 45 3HG2 VAL 45 9.292 -5.818 -17.871 349 H ASP 46 HN ASP 46 10.815 -9.016 -17.313 350 HA ASP 46 HA ASP 46 9.229 -10.942 -15.907 351 1HB ASP 46 HB2 ASP 46 10.467 -10.899 -18.655 352 2HB ASP 46 HB1 ASP 46 9.568 -12.286 -18.051 353 H GLU 47 HN GLU 47 12.639 -10.677 -16.795 354 HA GLU 47 HA GLU 47 13.331 -13.378 -16.217 355 1HB GLU 47 HB2 GLU 47 14.946 -10.838 -16.396 356 2HB GLU 47 HB1 GLU 47 15.685 -12.382 -15.991 357 1HG GLU 47 HG2 GLU 47 16.028 -12.389 -18.229 358 2HG GLU 47 HG1 GLU 47 14.439 -13.152 -18.188 359 H LYS 48 HN LYS 48 13.700 -10.384 -14.319 360 HA LYS 48 HA LYS 48 14.712 -11.597 -11.990 361 1HB LYS 48 HB2 LYS 48 13.199 -9.008 -12.362 362 2HB LYS 48 HB1 LYS 48 13.970 -9.486 -10.856 363 1HG LYS 48 HG2 LYS 48 16.141 -9.490 -11.941 364 2HG LYS 48 HG1 LYS 48 15.388 -9.082 -13.484 365 1HD LYS 48 HD2 LYS 48 15.852 -6.962 -12.898 366 2HD LYS 48 HD1 LYS 48 14.419 -7.111 -11.878 367 1HE LYS 48 HE2 LYS 48 15.925 -7.907 -10.040 368 2HE LYS 48 HE1 LYS 48 17.296 -7.499 -11.068 369 1HZ LYS 48 HZ2 LYS 48 16.518 -5.202 -11.112 370 2HZ LYS 48 HZ1 LYS 48 15.225 -5.602 -10.099 371 3HZ LYS 48 HZ3 LYS 48 16.813 -5.716 -9.529 372 H LEU 49 HN LEU 49 11.484 -11.353 -13.251 373 HA LEU 49 HA LEU 49 10.023 -11.694 -10.862 374 1HB LEU 49 HB2 LEU 49 9.433 -11.456 -13.600 375 2HB LEU 49 HB1 LEU 49 8.775 -13.007 -13.119 376 HG LEU 49 HG LEU 49 7.667 -11.709 -11.181 377 1HD1 LEU 49 3HD1 LEU 49 9.030 -9.646 -11.613 378 2HD1 LEU 49 2HD1 LEU 49 8.073 -9.406 -13.075 379 3HD1 LEU 49 1HD1 LEU 49 7.290 -9.386 -11.494 380 1HD2 LEU 49 2HD2 LEU 49 6.837 -11.446 -14.062 381 2HD2 LEU 49 1HD2 LEU 49 6.336 -12.672 -12.896 382 3HD2 LEU 49 3HD2 LEU 49 5.800 -11.002 -12.707 383 H ARG 50 HN ARG 50 10.778 -14.092 -13.395 384 HA ARG 50 HA ARG 50 10.102 -16.341 -11.827 385 1HB ARG 50 HB2 ARG 50 11.664 -15.926 -14.351 386 2HB ARG 50 HB1 ARG 50 11.709 -17.495 -13.560 387 1HG ARG 50 HG2 ARG 50 9.973 -17.836 -14.983 388 2HG ARG 50 HG1 ARG 50 9.087 -17.204 -13.594 389 1HD ARG 50 HD2 ARG 50 9.877 -14.954 -15.046 390 2HD ARG 50 HD1 ARG 50 9.353 -16.121 -16.259 391 HE ARG 50 HE ARG 50 7.362 -16.201 -14.430 392 1HH1 ARG 50 1HH1 ARG 50 8.898 -13.569 -16.157 393 2HH1 ARG 50 2HH1 ARG 50 7.475 -12.583 -16.165 394 1HH2 ARG 50 1HH2 ARG 50 5.492 -14.899 -14.447 395 2HH2 ARG 50 2HH2 ARG 50 5.542 -13.338 -15.195 396 H ASP 51 HN ASP 51 13.021 -14.439 -12.173 397 HA ASP 51 HA ASP 51 14.923 -16.176 -11.110 398 1HB ASP 51 HB2 ASP 51 15.577 -14.081 -12.136 399 2HB ASP 51 HB1 ASP 51 14.721 -13.164 -10.903 400 H LEU 52 HN LEU 52 13.156 -13.621 -9.349 401 HA LEU 52 HA LEU 52 13.993 -14.446 -6.786 402 1HB LEU 52 HB2 LEU 52 11.899 -12.625 -7.855 403 2HB LEU 52 HB1 LEU 52 11.745 -13.143 -6.187 404 HG LEU 52 HG LEU 52 14.238 -12.349 -6.004 405 1HD1 LEU 52 2HD1 LEU 52 14.451 -11.941 -8.442 406 2HD1 LEU 52 1HD1 LEU 52 13.263 -10.646 -8.291 407 3HD1 LEU 52 3HD1 LEU 52 14.812 -10.525 -7.456 408 1HD2 LEU 52 2HD2 LEU 52 12.352 -11.388 -4.785 409 2HD2 LEU 52 1HD2 LEU 52 13.458 -10.134 -5.345 410 3HD2 LEU 52 3HD2 LEU 52 11.935 -10.410 -6.191 411 H TYR 53 HN TYR 53 11.437 -15.563 -8.871 412 HA TYR 53 HA TYR 53 9.807 -16.785 -6.898 413 1HB TYR 53 HB2 TYR 53 10.051 -16.924 -9.859 414 2HB TYR 53 HB1 TYR 53 9.247 -18.271 -9.063 415 HD1 TYR 53 HD1 TYR 53 9.157 -14.656 -8.159 416 HD2 TYR 53 HD2 TYR 53 7.005 -18.006 -9.661 417 HE1 TYR 53 HE1 TYR 53 7.076 -13.351 -8.070 418 HE2 TYR 53 HE2 TYR 53 4.918 -16.710 -9.575 419 HH TYR 53 HH TYR 53 4.290 -14.338 -7.909 420 H SER 54 HN SER 54 12.460 -17.991 -8.930 421 HA SER 54 HA SER 54 12.359 -20.680 -8.127 422 1HB SER 54 HB2 SER 54 13.683 -19.663 -10.067 423 2HB SER 54 HB1 SER 54 14.900 -19.225 -8.867 424 HG SER 54 HG SER 54 15.406 -21.227 -9.762 425 H LYS 55 HN LYS 55 14.295 -17.963 -6.873 426 HA LYS 55 HA LYS 55 15.636 -19.401 -4.861 427 1HB LYS 55 HB2 LYS 55 15.324 -16.626 -5.645 428 2HB LYS 55 HB1 LYS 55 15.326 -16.792 -3.895 429 1HG LYS 55 HG2 LYS 55 17.478 -17.649 -3.846 430 2HG LYS 55 HG1 LYS 55 17.430 -18.130 -5.544 431 1HD LYS 55 HD2 LYS 55 17.078 -15.254 -5.094 432 2HD LYS 55 HD1 LYS 55 18.645 -15.881 -4.580 433 1HE LYS 55 HE2 LYS 55 18.972 -15.267 -6.813 434 2HE LYS 55 HE1 LYS 55 18.740 -17.013 -6.871 435 1HZ LYS 55 HZ3 LYS 55 16.642 -14.983 -7.432 436 2HZ LYS 55 HZ2 LYS 55 17.487 -15.867 -8.600 437 3HZ LYS 55 HZ1 LYS 55 16.449 -16.663 -7.527 438 H SER 56 HN SER 56 12.582 -17.595 -4.822 439 HA SER 56 HA SER 56 12.054 -17.817 -2.072 440 1HB SER 56 HB2 SER 56 10.343 -17.321 -4.485 441 2HB SER 56 HB1 SER 56 9.596 -17.540 -2.902 442 HG SER 56 HG SER 56 10.480 -15.706 -2.207 443 H THR 57 HN THR 57 11.867 -20.263 -4.524 444 HA THR 57 HA THR 57 9.799 -21.853 -3.544 445 HB THR 57 HB THR 57 12.359 -22.819 -4.834 446 HG1 THR 57 HG1 THR 57 11.638 -21.997 -6.609 447 1HG2 THR 57 3HG2 THR 57 9.618 -24.046 -4.691 448 2HG2 THR 57 2HG2 THR 57 10.900 -24.590 -5.772 449 3HG2 THR 57 1HG2 THR 57 11.118 -24.689 -4.025 450 H ALA 58 HN ALA 58 13.300 -22.185 -2.888 451 HA ALA 58 HA ALA 58 12.737 -23.950 -0.648 452 1HB ALA 58 HB2 ALA 58 14.580 -24.497 -2.147 453 2HB ALA 58 HB1 ALA 58 15.372 -22.974 -1.742 454 3HB ALA 58 HB3 ALA 58 15.161 -24.214 -0.506 455 H ALA 59 HN ALA 59 14.142 -20.737 -1.202 456 HA ALA 59 HA ALA 59 14.894 -20.194 1.449 457 1HB ALA 59 HB2 ALA 59 15.092 -17.894 0.776 458 2HB ALA 59 HB3 ALA 59 14.085 -18.182 -0.644 459 3HB ALA 59 HB1 ALA 59 15.679 -18.930 -0.525 460 H MET 60 HN MET 60 12.041 -18.904 -0.294 461 HA MET 60 HA MET 60 10.839 -17.773 1.973 462 1HB MET 60 HB2 MET 60 10.345 -17.584 -0.649 463 2HB MET 60 HB1 MET 60 9.075 -18.720 -0.219 464 1HG MET 60 HG2 MET 60 8.904 -16.761 1.725 465 2HG MET 60 HG1 MET 60 9.253 -15.871 0.243 466 1HE MET 60 HE3 MET 60 6.762 -15.037 1.500 467 2HE MET 60 HE2 MET 60 5.269 -15.924 1.198 468 3HE MET 60 HE1 MET 60 6.431 -16.529 2.378 469 H SER 61 HN SER 61 10.875 -21.074 0.878 470 HA SER 61 HA SER 61 8.499 -21.954 2.147 471 1HB SER 61 HB2 SER 61 9.570 -23.289 0.413 472 2HB SER 61 HB1 SER 61 11.000 -23.499 1.422 473 HG SER 61 HG SER 61 9.791 -25.308 1.714 474 H THR 62 HN THR 62 11.536 -21.026 3.428 475 HA THR 62 HA THR 62 11.193 -22.561 5.886 476 HB THR 62 HB THR 62 13.374 -20.563 5.262 477 HG1 THR 62 HG1 THR 62 13.828 -21.966 3.742 478 1HG2 THR 62 2HG2 THR 62 13.322 -22.927 7.123 479 2HG2 THR 62 1HG2 THR 62 14.708 -21.880 6.813 480 3HG2 THR 62 3HG2 THR 62 13.268 -21.228 7.595 481 H TYR 63 HN TYR 63 11.583 -19.165 4.884 482 HA TYR 63 HA TYR 63 10.910 -18.044 7.374 483 1HB TYR 63 HB2 TYR 63 12.150 -16.871 5.529 484 2HB TYR 63 HB1 TYR 63 10.625 -16.743 4.659 485 HD1 TYR 63 HD1 TYR 63 9.507 -14.736 4.841 486 HD2 TYR 63 HD2 TYR 63 11.957 -16.002 8.081 487 HE1 TYR 63 HE1 TYR 63 8.996 -12.649 6.035 488 HE2 TYR 63 HE2 TYR 63 11.452 -13.918 9.284 489 HH TYR 63 HH TYR 63 10.557 -11.319 8.170 490 H THR 64 HN THR 64 8.967 -19.514 4.945 491 HA THR 64 HA THR 64 6.600 -18.006 5.405 492 HB THR 64 HB THR 64 7.211 -20.606 4.058 493 HG1 THR 64 HG1 THR 64 7.314 -18.943 2.692 494 1HG2 THR 64 2HG2 THR 64 4.457 -19.723 4.854 495 2HG2 THR 64 1HG2 THR 64 4.758 -20.747 3.450 496 3HG2 THR 64 3HG2 THR 64 5.210 -21.304 5.061 497 H GLY 65 HN GLY 65 7.511 -21.286 6.449 498 1HA GLY 65 HA1 GLY 65 6.871 -22.492 8.304 499 2HA GLY 65 HA2 GLY 65 5.397 -21.527 8.322 500 H ILE 66 HN ILE 66 8.706 -20.336 8.527 501 HA ILE 66 HA ILE 66 8.840 -20.033 11.334 502 HB ILE 66 HB ILE 66 10.344 -18.678 9.099 503 1HG1 ILE 66 2HG1 ILE 66 10.767 -21.091 9.496 504 2HG1 ILE 66 1HG1 ILE 66 12.186 -20.097 9.806 505 1HG2 ILE 66 1HG2 ILE 66 10.539 -18.240 12.057 506 2HG2 ILE 66 3HG2 ILE 66 11.938 -18.015 11.008 507 3HG2 ILE 66 2HG2 ILE 66 10.483 -17.050 10.756 508 1HD1 ILE 66 1HD1 ILE 66 11.717 -20.221 12.214 509 2HD1 ILE 66 3HD1 ILE 66 10.335 -21.263 11.874 510 3HD1 ILE 66 2HD1 ILE 66 11.967 -21.809 11.490 511 H PHE 67 HN PHE 67 8.372 -17.540 8.815 512 HA PHE 67 HA PHE 67 7.787 -15.392 10.453 513 1HB PHE 67 HB2 PHE 67 8.116 -15.183 8.025 514 2HB PHE 67 HB1 PHE 67 6.568 -15.974 7.746 515 HD1 PHE 67 HD1 PHE 67 7.941 -13.085 9.674 516 HD2 PHE 67 HD2 PHE 67 4.774 -14.626 7.285 517 HE1 PHE 67 HE1 PHE 67 6.814 -10.901 9.766 518 HE2 PHE 67 HE2 PHE 67 3.643 -12.444 7.372 519 HZ PHE 67 HZ PHE 67 4.662 -10.577 8.613 520 H THR 68 HN THR 68 5.430 -17.605 8.957 521 HA THR 68 HA THR 68 3.179 -16.521 10.252 522 HB THR 68 HB THR 68 3.485 -19.336 9.204 523 HG1 THR 68 HG1 THR 68 3.796 -18.330 7.387 524 1HG2 THR 68 1HG2 THR 68 1.094 -17.609 9.734 525 2HG2 THR 68 3HG2 THR 68 1.048 -18.956 8.597 526 3HG2 THR 68 2HG2 THR 68 1.422 -19.249 10.295 527 H ASP 69 HN ASP 69 5.624 -18.669 11.357 528 HA ASP 69 HA ASP 69 4.249 -20.120 13.317 529 1HB ASP 69 HB2 ASP 69 6.903 -19.886 12.532 530 2HB ASP 69 HB1 ASP 69 6.911 -19.307 14.194 531 H GLN 70 HN GLN 70 6.090 -17.085 13.735 532 HA GLN 70 HA GLN 70 5.162 -16.654 16.390 533 1HB GLN 70 HB2 GLN 70 6.229 -14.471 16.223 534 2HB GLN 70 HB1 GLN 70 7.284 -15.718 15.578 535 1HG GLN 70 HG2 GLN 70 5.625 -14.572 13.509 536 2HG GLN 70 HG1 GLN 70 6.552 -13.336 14.354 537 1HE2 GLN 70 1HE2 GLN 70 7.602 -13.079 12.266 538 2HE2 GLN 70 2HE2 GLN 70 8.915 -14.122 11.850 539 H VAL 71 HN VAL 71 3.867 -15.901 13.271 540 HA VAL 71 HA VAL 71 2.143 -13.773 14.030 541 HB VAL 71 HB VAL 71 1.933 -15.723 11.721 542 1HG1 VAL 71 3HG1 VAL 71 0.330 -13.267 12.387 543 2HG1 VAL 71 2HG1 VAL 71 0.441 -13.914 10.749 544 3HG1 VAL 71 1HG1 VAL 71 -0.251 -14.896 12.039 545 1HG2 VAL 71 2HG2 VAL 71 3.856 -13.894 12.044 546 2HG2 VAL 71 1HG2 VAL 71 3.185 -14.305 10.467 547 3HG2 VAL 71 3HG2 VAL 71 2.617 -12.870 11.320 548 H LEU 72 HN LEU 72 1.608 -17.228 13.445 549 HA LEU 72 HA LEU 72 -1.048 -17.378 14.309 550 1HB LEU 72 HB2 LEU 72 1.166 -19.430 14.320 551 2HB LEU 72 HB1 LEU 72 -0.487 -19.809 14.767 552 HG LEU 72 HG LEU 72 0.156 -18.609 12.088 553 1HD1 LEU 72 3HD1 LEU 72 0.151 -21.537 12.808 554 2HD1 LEU 72 2HD1 LEU 72 0.211 -20.881 11.172 555 3HD1 LEU 72 1HD1 LEU 72 1.544 -20.590 12.287 556 1HD2 LEU 72 1HD2 LEU 72 -2.105 -20.330 13.100 557 2HD2 LEU 72 3HD2 LEU 72 -2.175 -18.595 12.796 558 3HD2 LEU 72 2HD2 LEU 72 -1.934 -19.716 11.455 559 H SER 73 HN SER 73 2.016 -17.433 16.038 560 HA SER 73 HA SER 73 1.079 -18.282 18.537 561 1HB SER 73 HB2 SER 73 3.198 -17.902 19.245 562 2HB SER 73 HB1 SER 73 3.534 -17.568 17.548 563 HG SER 73 HG SER 73 3.521 -15.438 17.948 564 H VAL 74 HN VAL 74 1.009 -15.131 17.011 565 HA VAL 74 HA VAL 74 0.157 -13.699 19.335 566 HB VAL 74 HB VAL 74 -0.279 -12.909 16.448 567 1HG1 VAL 74 1HG1 VAL 74 -0.246 -11.373 19.034 568 2HG1 VAL 74 3HG1 VAL 74 -0.097 -10.597 17.457 569 3HG1 VAL 74 2HG1 VAL 74 -1.554 -11.506 17.858 570 1HG2 VAL 74 2HG2 VAL 74 2.177 -13.087 18.017 571 2HG2 VAL 74 1HG2 VAL 74 1.952 -12.902 16.278 572 3HG2 VAL 74 3HG2 VAL 74 1.900 -11.487 17.328 573 H LEU 75 HN LEU 75 -1.415 -15.772 17.080 574 HA LEU 75 HA LEU 75 -4.046 -14.743 17.212 575 1HB LEU 75 HB2 LEU 75 -2.883 -16.658 15.732 576 2HB LEU 75 HB1 LEU 75 -3.664 -17.669 16.933 577 HG LEU 75 HG LEU 75 -5.273 -15.576 15.530 578 1HD1 LEU 75 3HD1 LEU 75 -4.590 -18.282 14.387 579 2HD1 LEU 75 2HD1 LEU 75 -5.803 -17.169 13.752 580 3HD1 LEU 75 1HD1 LEU 75 -4.098 -16.719 13.731 581 1HD2 LEU 75 3HD2 LEU 75 -5.796 -18.238 16.821 582 2HD2 LEU 75 2HD2 LEU 75 -6.438 -16.655 17.258 583 3HD2 LEU 75 1HD2 LEU 75 -6.983 -17.449 15.781 584 H LYS 76 HN LYS 76 -2.217 -16.959 19.184 585 HA LYS 76 HA LYS 76 -4.389 -17.805 20.830 586 1HB LYS 76 HB2 LYS 76 -1.406 -17.873 21.324 587 2HB LYS 76 HB1 LYS 76 -2.606 -18.673 22.330 588 1HG LYS 76 HG2 LYS 76 -2.672 -20.429 20.980 589 2HG LYS 76 HG1 LYS 76 -2.944 -19.409 19.566 590 1HD LYS 76 HD2 LYS 76 -0.935 -20.428 19.046 591 2HD LYS 76 HD1 LYS 76 -0.400 -18.908 19.765 592 1HE LYS 76 HE2 LYS 76 -0.762 -20.912 21.799 593 2HE LYS 76 HE1 LYS 76 0.308 -21.510 20.532 594 1HZ LYS 76 HZ3 LYS 76 0.650 -18.938 21.981 595 2HZ LYS 76 HZ2 LYS 76 1.513 -20.358 22.299 596 3HZ LYS 76 HZ1 LYS 76 1.698 -19.572 20.812 597 H GLY 77 HN GLY 77 -1.994 -15.216 21.040 598 1HA GLY 77 HA1 GLY 77 -1.780 -13.435 22.467 599 2HA GLY 77 HA2 GLY 77 -2.502 -14.445 23.707 600 H GLU 78 HN GLU 78 -3.779 -13.110 20.646 601 HA GLU 78 HA GLU 78 -5.770 -11.623 22.214 602 1HB GLU 78 HB2 GLU 78 -4.829 -11.278 19.363 603 2HB GLU 78 HB1 GLU 78 -6.148 -10.362 20.078 604 1HG GLU 78 HG2 GLU 78 -4.564 -8.868 20.560 605 2HG GLU 78 HG1 GLU 78 -4.183 -9.949 21.900 606 H GLU 79 HN GLU 79 -5.696 -13.232 19.019 607 HA GLU 79 HA GLU 79 -7.108 -14.722 18.038 608 1HB GLU 79 HB2 GLU 79 -7.272 -15.555 20.550 609 2HB GLU 79 HB1 GLU 79 -8.901 -14.907 20.420 610 1HG GLU 79 HG2 GLU 79 -7.671 -17.039 18.688 611 2HG GLU 79 HG1 GLU 79 -8.901 -17.265 19.929 No H/Q in entry = 611 Start of MODEL 45 1 H1 THR 1 HT2 THR 1 10.892 8.867 12.619 2 H2 THR 1 HT1 THR 1 10.468 10.497 12.953 3 H3 THR 1 HT3 THR 1 11.813 10.150 11.948 4 HA THR 1 HA THR 1 12.970 9.164 13.752 5 HB THR 1 HB THR 1 11.826 11.880 14.448 6 HG1 THR 1 HG1 THR 1 13.968 11.148 12.740 7 1HG2 THR 1 1HG2 THR 1 13.209 10.963 16.244 8 2HG2 THR 1 3HG2 THR 1 14.526 10.721 15.097 9 3HG2 THR 1 2HG2 THR 1 13.967 12.353 15.467 10 H GLN 2 HN GLN 2 12.843 7.969 15.545 11 HA GLN 2 HA GLN 2 10.327 7.603 16.869 12 1HB GLN 2 HB2 GLN 2 11.759 5.688 16.561 13 2HB GLN 2 HB1 GLN 2 13.079 6.478 17.410 14 1HG GLN 2 HG2 GLN 2 11.920 4.739 18.737 15 2HG GLN 2 HG1 GLN 2 11.925 6.331 19.493 16 1HE2 GLN 2 1HE2 GLN 2 9.940 4.189 17.488 17 2HE2 GLN 2 2HE2 GLN 2 8.422 4.719 18.119 18 H GLN 3 HN GLN 3 9.600 9.141 18.194 19 HA GLN 3 HA GLN 3 11.339 10.014 20.388 20 1HB GLN 3 HB2 GLN 3 9.624 11.869 18.723 21 2HB GLN 3 HB1 GLN 3 10.505 12.324 20.173 22 1HG GLN 3 HG2 GLN 3 12.541 12.266 19.125 23 2HG GLN 3 HG1 GLN 3 12.001 11.119 17.901 24 1HE2 GLN 3 1HE2 GLN 3 10.402 11.956 16.324 25 2HE2 GLN 3 2HE2 GLN 3 10.572 13.592 15.795 26 HA PRO 4 HA PRO 4 7.322 8.622 22.083 27 1HB PRO 4 HB2 PRO 4 8.317 7.602 24.376 28 2HB PRO 4 HB1 PRO 4 8.374 6.718 22.846 29 1HG PRO 4 HG2 PRO 4 10.525 8.295 24.204 30 2HG PRO 4 HG1 PRO 4 10.632 6.722 23.392 31 1HD PRO 4 HD2 PRO 4 11.392 9.068 22.226 32 2HD PRO 4 HD1 PRO 4 10.799 7.668 21.309 33 H GLN 5 HN GLN 5 7.131 11.084 22.133 34 HA GLN 5 HA GLN 5 7.898 12.477 24.507 35 1HB GLN 5 HB2 GLN 5 6.605 13.111 21.995 36 2HB GLN 5 HB1 GLN 5 5.767 13.877 23.336 37 1HG GLN 5 HG2 GLN 5 7.328 15.431 23.480 38 2HG GLN 5 HG1 GLN 5 8.583 14.209 23.676 39 1HE2 GLN 5 1HE2 GLN 5 9.621 13.390 21.795 40 2HE2 GLN 5 2HE2 GLN 5 9.663 14.316 20.337 41 H GLN 6 HN GLN 6 4.725 11.386 23.278 42 HA GLN 6 HA GLN 6 3.320 12.015 25.662 43 1HB GLN 6 HB2 GLN 6 2.301 11.737 23.378 44 2HB GLN 6 HB1 GLN 6 2.520 10.003 23.554 45 1HG GLN 6 HG2 GLN 6 1.081 11.381 25.735 46 2HG GLN 6 HG1 GLN 6 0.256 11.273 24.180 47 1HE2 GLN 6 1HE2 GLN 6 0.111 9.093 23.219 48 2HE2 GLN 6 2HE2 GLN 6 -0.098 7.746 24.279 49 H ASP 7 HN ASP 7 4.712 9.001 24.397 50 HA ASP 7 HA ASP 7 3.811 7.381 26.560 51 1HB ASP 7 HB2 ASP 7 4.484 6.575 24.246 52 2HB ASP 7 HB1 ASP 7 6.158 6.794 24.752 53 H GLU 8 HN GLU 8 4.826 6.755 28.413 54 HA GLU 8 HA GLU 8 6.791 8.501 29.503 55 1HB GLU 8 HB2 GLU 8 5.395 6.029 30.458 56 2HB GLU 8 HB1 GLU 8 6.783 6.637 31.351 57 1HG GLU 8 HG2 GLU 8 4.668 7.431 32.278 58 2HG GLU 8 HG1 GLU 8 5.674 8.757 31.699 59 H MET 9 HN MET 9 6.883 5.122 28.400 60 HA MET 9 HA MET 9 9.612 4.700 29.063 61 1HB MET 9 HB2 MET 9 7.885 3.242 27.052 62 2HB MET 9 HB1 MET 9 9.431 2.681 27.668 63 1HG MET 9 HG2 MET 9 8.449 1.740 29.408 64 2HG MET 9 HG1 MET 9 7.696 3.268 29.861 65 1HE MET 9 HE1 MET 9 5.568 3.691 30.014 66 2HE MET 9 HE3 MET 9 5.023 3.942 28.355 67 3HE MET 9 HE2 MET 9 4.174 2.803 29.400 68 HA PRO 10 HA PRO 10 11.337 7.010 25.643 69 1HB PRO 10 HB2 PRO 10 13.938 6.483 26.150 70 2HB PRO 10 HB1 PRO 10 12.994 7.612 27.129 71 1HG PRO 10 HG2 PRO 10 13.699 4.755 27.684 72 2HG PRO 10 HG1 PRO 10 13.726 6.148 28.782 73 1HD PRO 10 HD2 PRO 10 11.697 4.338 28.731 74 2HD PRO 10 HD1 PRO 10 11.464 6.041 29.174 75 H SER 11 HN SER 11 13.216 6.492 23.990 76 HA SER 11 HA SER 11 12.400 4.159 22.559 77 1HB SER 11 HB2 SER 11 13.125 6.296 21.469 78 2HB SER 11 HB1 SER 11 14.775 5.946 21.984 79 HG SER 11 HG SER 11 13.185 4.270 20.331 80 HA PRO 12 HA PRO 12 15.359 1.489 24.633 81 1HB PRO 12 HB2 PRO 12 14.529 -0.826 23.539 82 2HB PRO 12 HB1 PRO 12 13.598 0.004 24.791 83 1HG PRO 12 HG2 PRO 12 13.195 -0.007 21.824 84 2HG PRO 12 HG1 PRO 12 11.989 -0.152 23.116 85 1HD PRO 12 HD2 PRO 12 12.492 2.176 21.788 86 2HD PRO 12 HD1 PRO 12 11.903 2.114 23.460 87 H THR 13 HN THR 13 16.873 -0.312 23.862 88 HA THR 13 HA THR 13 18.463 0.697 21.715 89 HB THR 13 HB THR 13 18.770 -1.968 23.111 90 HG1 THR 13 HG1 THR 13 19.048 -0.780 24.816 91 1HG2 THR 13 2HG2 THR 13 20.685 -0.198 21.630 92 2HG2 THR 13 1HG2 THR 13 21.212 -1.450 22.755 93 3HG2 THR 13 3HG2 THR 13 20.286 -1.887 21.320 94 H PHE 14 HN PHE 14 16.792 0.577 20.049 95 HA PHE 14 HA PHE 14 17.181 -1.603 18.303 96 1HB PHE 14 HB2 PHE 14 15.652 -2.761 19.848 97 2HB PHE 14 HB1 PHE 14 14.457 -1.488 19.628 98 HD1 PHE 14 HD1 PHE 14 16.236 -4.244 17.932 99 HD2 PHE 14 HD2 PHE 14 12.995 -1.489 17.775 100 HE1 PHE 14 HE1 PHE 14 15.293 -5.467 16.018 101 HE2 PHE 14 HE2 PHE 14 12.047 -2.709 15.862 102 HZ PHE 14 HZ PHE 14 13.195 -4.701 14.981 103 H LEU 15 HN LEU 15 14.488 0.609 19.105 104 HA LEU 15 HA LEU 15 13.904 1.306 16.441 105 1HB LEU 15 HB2 LEU 15 13.344 2.723 19.043 106 2HB LEU 15 HB1 LEU 15 12.735 3.282 17.498 107 HG LEU 15 HG LEU 15 12.149 0.493 18.425 108 1HD1 LEU 15 1HD1 LEU 15 10.961 3.036 19.422 109 2HD1 LEU 15 3HD1 LEU 15 9.920 1.632 19.192 110 3HD1 LEU 15 2HD1 LEU 15 11.303 1.535 20.282 111 1HD2 LEU 15 3HD2 LEU 15 10.775 2.460 16.602 112 2HD2 LEU 15 2HD2 LEU 15 11.608 0.978 16.139 113 3HD2 LEU 15 1HD2 LEU 15 10.108 0.894 17.062 114 H THR 16 HN THR 16 15.927 2.873 18.900 115 HA THR 16 HA THR 16 16.590 5.193 17.494 116 HB THR 16 HB THR 16 18.456 3.717 19.356 117 HG1 THR 16 HG1 THR 16 16.895 3.914 20.742 118 1HG2 THR 16 3HG2 THR 16 18.069 6.651 18.816 119 2HG2 THR 16 2HG2 THR 16 19.107 5.973 20.070 120 3HG2 THR 16 1HG2 THR 16 19.466 5.670 18.370 121 H GLN 17 HN GLN 17 18.091 1.981 17.454 122 HA GLN 17 HA GLN 17 20.316 2.611 15.859 123 1HB GLN 17 HB2 GLN 17 18.817 0.045 16.342 124 2HB GLN 17 HB1 GLN 17 20.216 0.113 15.280 125 1HG GLN 17 HG2 GLN 17 21.673 0.600 17.020 126 2HG GLN 17 HG1 GLN 17 20.375 1.138 18.084 127 1HE2 GLN 17 1HE2 GLN 17 22.072 -1.600 16.779 128 2HE2 GLN 17 2HE2 GLN 17 21.420 -2.776 17.864 129 H VAL 18 HN VAL 18 17.110 1.367 14.969 130 HA VAL 18 HA VAL 18 17.120 0.781 12.399 131 HB VAL 18 HB VAL 18 15.169 2.752 13.592 132 1HG1 VAL 18 2HG1 VAL 18 15.102 1.158 11.046 133 2HG1 VAL 18 1HG1 VAL 18 13.631 1.732 11.830 134 3HG1 VAL 18 3HG1 VAL 18 14.839 2.888 11.270 135 1HG2 VAL 18 3HG2 VAL 18 15.369 -0.231 13.600 136 2HG2 VAL 18 2HG2 VAL 18 14.992 0.869 14.923 137 3HG2 VAL 18 1HG2 VAL 18 13.789 0.548 13.675 138 H LYS 19 HN LYS 19 17.296 4.185 13.460 139 HA LYS 19 HA LYS 19 17.178 5.453 11.018 140 1HB LYS 19 HB2 LYS 19 18.925 6.246 13.354 141 2HB LYS 19 HB1 LYS 19 18.410 7.304 12.048 142 1HG LYS 19 HG2 LYS 19 16.553 5.956 14.000 143 2HG LYS 19 HG1 LYS 19 17.126 7.620 14.128 144 1HD LYS 19 HD2 LYS 19 15.844 8.342 12.368 145 2HD LYS 19 HD1 LYS 19 15.830 6.759 11.588 146 1HE LYS 19 HE2 LYS 19 14.373 5.966 13.486 147 2HE LYS 19 HE1 LYS 19 14.242 7.651 13.985 148 1HZ LYS 19 HZ1 LYS 19 13.326 8.154 11.773 149 2HZ LYS 19 HZ3 LYS 19 13.367 6.506 11.388 150 3HZ LYS 19 HZ2 LYS 19 12.366 7.060 12.634 151 H GLU 20 HN GLU 20 20.084 4.151 12.601 152 HA GLU 20 HA GLU 20 21.909 4.975 10.618 153 1HB GLU 20 HB2 GLU 20 22.071 2.694 12.591 154 2HB GLU 20 HB1 GLU 20 23.416 3.243 11.601 155 1HG GLU 20 HG2 GLU 20 23.910 4.464 13.413 156 2HG GLU 20 HG1 GLU 20 22.705 5.568 12.752 157 H SER 21 HN SER 21 19.805 2.208 10.867 158 HA SER 21 HA SER 21 21.024 0.562 8.929 159 1HB SER 21 HB2 SER 21 19.253 -0.846 9.239 160 2HB SER 21 HB1 SER 21 18.979 0.181 10.643 161 HG SER 21 HG SER 21 17.318 1.134 9.647 162 H LEU 22 HN LEU 22 18.596 3.122 8.671 163 HA LEU 22 HA LEU 22 18.111 2.761 5.887 164 1HB LEU 22 HB2 LEU 22 16.602 3.922 7.570 165 2HB LEU 22 HB1 LEU 22 17.689 5.294 7.464 166 HG LEU 22 HG LEU 22 17.008 4.639 4.809 167 1HD1 LEU 22 2HD1 LEU 22 15.133 3.340 5.665 168 2HD1 LEU 22 1HD1 LEU 22 14.586 4.731 6.601 169 3HD1 LEU 22 3HD1 LEU 22 14.572 4.794 4.838 170 1HD2 LEU 22 1HD2 LEU 22 17.512 6.865 5.694 171 2HD2 LEU 22 3HD2 LEU 22 15.976 6.842 4.828 172 3HD2 LEU 22 2HD2 LEU 22 15.994 6.850 6.592 173 H SER 23 HN SER 23 20.312 4.776 7.776 174 HA SER 23 HA SER 23 21.230 6.449 5.730 175 1HB SER 23 HB2 SER 23 22.797 5.422 8.110 176 2HB SER 23 HB1 SER 23 23.188 6.846 7.146 177 HG SER 23 HG SER 23 21.255 6.496 9.098 178 H SER 24 HN SER 24 22.312 3.237 6.743 179 HA SER 24 HA SER 24 24.553 3.067 5.035 180 1HB SER 24 HB2 SER 24 22.821 0.844 6.147 181 2HB SER 24 HB1 SER 24 24.418 0.634 5.428 182 HG SER 24 HG SER 24 23.698 1.683 7.904 183 H TYR 25 HN TYR 25 21.155 2.784 4.433 184 HA TYR 25 HA TYR 25 21.470 1.342 1.941 185 1HB TYR 25 HB2 TYR 25 19.092 2.624 3.294 186 2HB TYR 25 HB1 TYR 25 18.994 1.893 1.697 187 HD1 TYR 25 HD1 TYR 25 20.546 -0.538 1.926 188 HD2 TYR 25 HD2 TYR 25 17.950 1.264 4.775 189 HE1 TYR 25 HE1 TYR 25 20.159 -2.735 2.955 190 HE2 TYR 25 HE2 TYR 25 17.558 -0.928 5.813 191 HH TYR 25 HH TYR 25 19.301 -3.369 5.676 192 H TRP 26 HN TRP 26 20.760 4.652 2.989 193 HA TRP 26 HA TRP 26 20.370 5.768 0.430 194 1HB TRP 26 HB2 TRP 26 20.812 6.780 3.168 195 2HB TRP 26 HB1 TRP 26 21.308 7.873 1.881 196 HD1 TRP 26 HD1 TRP 26 19.450 9.590 1.557 197 HE1 TRP 26 HE1 TRP 26 16.884 9.533 1.397 198 HE3 TRP 26 HE3 TRP 26 18.683 4.614 2.464 199 HZ2 TRP 26 HZ2 TRP 26 14.809 7.634 1.624 200 HZ3 TRP 26 HZ3 TRP 26 16.378 3.760 2.474 201 HH2 TRP 26 HH2 TRP 26 14.481 5.241 2.063 202 H GLU 27 HN GLU 27 23.245 5.219 2.363 203 HA GLU 27 HA GLU 27 25.193 6.729 1.253 204 1HB GLU 27 HB2 GLU 27 25.108 4.026 2.428 205 2HB GLU 27 HB1 GLU 27 26.507 4.342 1.412 206 1HG GLU 27 HG2 GLU 27 27.439 5.717 2.906 207 2HG GLU 27 HG1 GLU 27 25.905 6.486 3.306 208 H SER 28 HN SER 28 24.378 3.483 0.019 209 HA SER 28 HA SER 28 25.562 4.202 -2.562 210 1HB SER 28 HB2 SER 28 26.089 2.023 -1.221 211 2HB SER 28 HB1 SER 28 24.558 1.453 -1.888 212 HG SER 28 HG SER 28 25.392 1.475 -3.875 213 H ALA 29 HN ALA 29 22.645 4.658 -1.279 214 HA ALA 29 HA ALA 29 20.815 3.381 -2.988 215 1HB ALA 29 HB2 ALA 29 19.976 4.408 -1.024 216 2HB ALA 29 HB3 ALA 29 19.285 5.289 -2.386 217 3HB ALA 29 HB1 ALA 29 20.632 5.980 -1.482 218 H LYS 30 HN LYS 30 22.691 6.343 -3.405 219 HA LYS 30 HA LYS 30 21.379 7.477 -5.561 220 1HB LYS 30 HB2 LYS 30 23.404 8.354 -4.236 221 2HB LYS 30 HB1 LYS 30 24.382 7.435 -5.373 222 1HG LYS 30 HG2 LYS 30 23.746 8.769 -7.181 223 2HG LYS 30 HG1 LYS 30 22.358 9.432 -6.318 224 1HD LYS 30 HD2 LYS 30 23.848 11.187 -6.200 225 2HD LYS 30 HD1 LYS 30 24.175 10.350 -4.681 226 1HE LYS 30 HE2 LYS 30 25.738 9.465 -7.027 227 2HE LYS 30 HE1 LYS 30 26.090 11.083 -6.424 228 1HZ LYS 30 HZ3 LYS 30 26.408 10.087 -4.203 229 2HZ LYS 30 HZ2 LYS 30 26.208 8.550 -4.879 230 3HZ LYS 30 HZ1 LYS 30 27.516 9.515 -5.346 231 H THR 31 HN THR 31 23.995 5.066 -5.672 232 HA THR 31 HA THR 31 24.285 4.766 -8.394 233 HB THR 31 HB THR 31 24.242 2.407 -6.509 234 HG1 THR 31 HG1 THR 31 25.670 3.454 -5.393 235 1HG2 THR 31 3HG2 THR 31 25.974 3.044 -8.883 236 2HG2 THR 31 2HG2 THR 31 26.140 1.634 -7.837 237 3HG2 THR 31 1HG2 THR 31 24.689 1.840 -8.817 238 H ALA 32 HN ALA 32 21.831 3.448 -6.247 239 HA ALA 32 HA ALA 32 20.538 1.770 -8.113 240 1HB ALA 32 HB3 ALA 32 18.987 3.143 -5.963 241 2HB ALA 32 HB2 ALA 32 18.902 1.473 -6.522 242 3HB ALA 32 HB1 ALA 32 20.253 1.997 -5.518 243 H ALA 33 HN ALA 33 20.021 5.177 -7.212 244 HA ALA 33 HA ALA 33 17.752 5.750 -8.660 245 1HB ALA 33 HB1 ALA 33 19.066 7.288 -7.119 246 2HB ALA 33 HB3 ALA 33 20.064 7.662 -8.524 247 3HB ALA 33 HB2 ALA 33 18.339 8.027 -8.545 248 H GLN 34 HN GLN 34 21.096 6.043 -9.856 249 HA GLN 34 HA GLN 34 20.340 6.666 -12.506 250 1HB GLN 34 HB2 GLN 34 22.680 6.783 -11.225 251 2HB GLN 34 HB1 GLN 34 22.898 5.219 -11.999 252 1HG GLN 34 HG2 GLN 34 22.172 7.733 -13.483 253 2HG GLN 34 HG1 GLN 34 23.826 7.167 -13.254 254 1HE2 GLN 34 1HE2 GLN 34 24.163 4.828 -13.946 255 2HE2 GLN 34 2HE2 GLN 34 23.432 4.360 -15.439 256 H ASN 35 HN ASN 35 20.985 3.650 -10.809 257 HA ASN 35 HA ASN 35 20.940 1.935 -13.048 258 1HB ASN 35 HB2 ASN 35 21.504 1.535 -10.453 259 2HB ASN 35 HB1 ASN 35 19.858 0.910 -10.476 260 1HD2 ASN 35 1HD2 ASN 35 19.371 -0.800 -11.995 261 2HD2 ASN 35 2HD2 ASN 35 20.616 -1.902 -12.462 262 H LEU 36 HN LEU 36 18.407 3.478 -11.270 263 HA LEU 36 HA LEU 36 16.216 1.873 -11.918 264 1HB LEU 36 HB2 LEU 36 16.474 4.100 -10.459 265 2HB LEU 36 HB1 LEU 36 15.901 4.841 -11.940 266 HG LEU 36 HG LEU 36 14.087 4.406 -10.330 267 1HD1 LEU 36 2HD1 LEU 36 13.698 4.429 -12.789 268 2HD1 LEU 36 1HD1 LEU 36 13.826 2.670 -12.776 269 3HD1 LEU 36 3HD1 LEU 36 12.531 3.466 -11.881 270 1HD2 LEU 36 1HD2 LEU 36 15.096 2.352 -9.354 271 2HD2 LEU 36 3HD2 LEU 36 13.393 2.182 -9.779 272 3HD2 LEU 36 2HD2 LEU 36 14.636 1.483 -10.818 273 H TYR 37 HN TYR 37 17.738 4.583 -13.557 274 HA TYR 37 HA TYR 37 16.093 4.588 -15.866 275 1HB TYR 37 HB2 TYR 37 18.984 5.464 -15.776 276 2HB TYR 37 HB1 TYR 37 17.715 6.042 -16.850 277 HD1 TYR 37 HD1 TYR 37 19.684 7.147 -14.373 278 HD2 TYR 37 HD2 TYR 37 15.525 6.773 -15.186 279 HE1 TYR 37 HE1 TYR 37 19.220 8.984 -12.809 280 HE2 TYR 37 HE2 TYR 37 15.049 8.610 -13.623 281 HH TYR 37 HH TYR 37 16.716 9.580 -11.362 282 H GLU 38 HN GLU 38 19.014 2.863 -14.942 283 HA GLU 38 HA GLU 38 19.733 1.789 -17.422 284 1HB GLU 38 HB2 GLU 38 21.219 1.669 -15.508 285 2HB GLU 38 HB1 GLU 38 20.093 0.622 -14.661 286 1HG GLU 38 HG2 GLU 38 20.680 -0.591 -17.150 287 2HG GLU 38 HG1 GLU 38 22.202 -0.083 -16.420 288 H LYS 39 HN LYS 39 17.991 0.075 -14.849 289 HA LYS 39 HA LYS 39 17.275 -2.149 -16.365 290 1HB LYS 39 HB2 LYS 39 15.668 -2.645 -14.592 291 2HB LYS 39 HB1 LYS 39 17.211 -2.127 -13.928 292 1HG LYS 39 HG2 LYS 39 16.192 0.179 -13.710 293 2HG LYS 39 HG1 LYS 39 14.641 -0.579 -14.071 294 1HD LYS 39 HD2 LYS 39 14.677 -0.593 -11.754 295 2HD LYS 39 HD1 LYS 39 15.274 -2.205 -12.149 296 1HE LYS 39 HE2 LYS 39 17.476 -1.651 -11.619 297 2HE LYS 39 HE1 LYS 39 17.168 0.080 -11.741 298 1HZ LYS 39 HZ3 LYS 39 15.805 -0.079 -9.733 299 2HZ LYS 39 HZ2 LYS 39 16.168 -1.725 -9.605 300 3HZ LYS 39 HZ1 LYS 39 17.397 -0.574 -9.446 301 H THR 40 HN THR 40 16.072 1.011 -16.698 302 HA THR 40 HA THR 40 13.367 0.444 -17.330 303 HB THR 40 HB THR 40 15.140 2.717 -18.248 304 HG1 THR 40 HG1 THR 40 14.878 2.828 -16.064 305 1HG2 THR 40 1HG2 THR 40 12.160 2.395 -18.428 306 2HG2 THR 40 3HG2 THR 40 12.988 3.948 -18.540 307 3HG2 THR 40 2HG2 THR 40 13.300 2.694 -19.740 308 H TYR 41 HN TYR 41 16.212 0.930 -19.369 309 HA TYR 41 HA TYR 41 14.943 0.302 -21.823 310 1HB TYR 41 HB2 TYR 41 17.876 -0.171 -21.458 311 2HB TYR 41 HB1 TYR 41 17.020 0.531 -22.824 312 HD1 TYR 41 HD1 TYR 41 15.722 2.825 -22.113 313 HD2 TYR 41 HD2 TYR 41 19.228 1.263 -20.277 314 HE1 TYR 41 HE1 TYR 41 16.298 5.076 -21.310 315 HE2 TYR 41 HE2 TYR 41 19.813 3.510 -19.468 316 HH TYR 41 HH TYR 41 18.037 5.824 -19.017 317 H LEU 42 HN LEU 42 16.839 -1.661 -19.549 318 HA LEU 42 HA LEU 42 16.859 -4.007 -21.148 319 1HB LEU 42 HB2 LEU 42 17.336 -3.560 -18.209 320 2HB LEU 42 HB1 LEU 42 17.515 -5.125 -18.979 321 HG LEU 42 HG LEU 42 19.019 -2.981 -20.301 322 1HD1 LEU 42 2HD1 LEU 42 19.182 -2.272 -17.934 323 2HD1 LEU 42 1HD1 LEU 42 19.860 -3.853 -17.542 324 3HD1 LEU 42 3HD1 LEU 42 20.727 -2.766 -18.627 325 1HD2 LEU 42 3HD2 LEU 42 19.224 -5.364 -20.854 326 2HD2 LEU 42 2HD2 LEU 42 20.755 -4.678 -20.312 327 3HD2 LEU 42 1HD2 LEU 42 19.805 -5.685 -19.220 328 HA PRO 43 HA PRO 43 12.814 -5.549 -20.042 329 1HB PRO 43 HB2 PRO 43 12.767 -7.617 -21.712 330 2HB PRO 43 HB1 PRO 43 12.804 -5.962 -22.328 331 1HG PRO 43 HG2 PRO 43 14.981 -7.985 -22.205 332 2HG PRO 43 HG1 PRO 43 14.687 -6.721 -23.410 333 1HD PRO 43 HD2 PRO 43 16.492 -6.612 -21.225 334 2HD PRO 43 HD1 PRO 43 16.044 -5.282 -22.310 335 H ALA 44 HN ALA 44 15.402 -6.525 -18.555 336 HA ALA 44 HA ALA 44 15.109 -9.289 -18.047 337 1HB ALA 44 HB2 ALA 44 16.463 -7.092 -16.502 338 2HB ALA 44 HB1 ALA 44 16.512 -8.787 -16.016 339 3HB ALA 44 HB3 ALA 44 17.198 -8.294 -17.564 340 H VAL 45 HN VAL 45 13.260 -6.629 -16.981 341 HA VAL 45 HA VAL 45 12.466 -7.144 -14.438 342 HB VAL 45 HB VAL 45 10.212 -6.227 -15.055 343 1HG1 VAL 45 1HG1 VAL 45 12.154 -4.823 -14.416 344 2HG1 VAL 45 3HG1 VAL 45 12.542 -4.645 -16.128 345 3HG1 VAL 45 2HG1 VAL 45 11.023 -4.009 -15.497 346 1HG2 VAL 45 3HG2 VAL 45 11.398 -6.397 -17.811 347 2HG2 VAL 45 2HG2 VAL 45 9.823 -6.956 -17.249 348 3HG2 VAL 45 1HG2 VAL 45 10.139 -5.229 -17.412 349 H ASP 46 HN ASP 46 11.205 -8.732 -17.355 350 HA ASP 46 HA ASP 46 9.289 -10.316 -15.972 351 1HB ASP 46 HB2 ASP 46 10.548 -10.894 -18.662 352 2HB ASP 46 HB1 ASP 46 9.012 -11.507 -18.057 353 H GLU 47 HN GLU 47 12.664 -10.782 -16.880 354 HA GLU 47 HA GLU 47 12.776 -13.569 -16.307 355 1HB GLU 47 HB2 GLU 47 14.529 -12.820 -17.648 356 2HB GLU 47 HB1 GLU 47 14.816 -11.399 -16.657 357 1HG GLU 47 HG2 GLU 47 15.309 -14.036 -15.405 358 2HG GLU 47 HG1 GLU 47 16.427 -13.515 -16.663 359 H LYS 48 HN LYS 48 13.593 -10.684 -14.394 360 HA LYS 48 HA LYS 48 14.540 -11.985 -12.107 361 1HB LYS 48 HB2 LYS 48 13.545 -9.282 -12.757 362 2HB LYS 48 HB1 LYS 48 13.447 -9.732 -11.060 363 1HG LYS 48 HG2 LYS 48 15.528 -8.851 -11.055 364 2HG LYS 48 HG1 LYS 48 15.949 -10.500 -11.518 365 1HD LYS 48 HD2 LYS 48 16.991 -9.576 -13.268 366 2HD LYS 48 HD1 LYS 48 15.379 -9.310 -13.933 367 1HE LYS 48 HE2 LYS 48 16.446 -7.292 -12.032 368 2HE LYS 48 HE1 LYS 48 17.142 -7.341 -13.650 369 1HZ LYS 48 HZ2 LYS 48 14.216 -7.263 -13.277 370 2HZ LYS 48 HZ1 LYS 48 15.127 -5.841 -13.226 371 3HZ LYS 48 HZ3 LYS 48 15.128 -6.796 -14.621 372 H LEU 49 HN LEU 49 11.298 -11.622 -13.276 373 HA LEU 49 HA LEU 49 9.891 -11.884 -10.845 374 1HB LEU 49 HB2 LEU 49 9.264 -11.817 -13.642 375 2HB LEU 49 HB1 LEU 49 8.420 -13.167 -12.910 376 HG LEU 49 HG LEU 49 7.006 -11.196 -12.933 377 1HD1 LEU 49 3HD1 LEU 49 6.910 -12.809 -11.025 378 2HD1 LEU 49 2HD1 LEU 49 7.922 -11.694 -10.108 379 3HD1 LEU 49 1HD1 LEU 49 6.322 -11.189 -10.650 380 1HD2 LEU 49 1HD2 LEU 49 8.767 -9.498 -12.942 381 2HD2 LEU 49 3HD2 LEU 49 7.582 -9.193 -11.673 382 3HD2 LEU 49 2HD2 LEU 49 9.152 -9.886 -11.265 383 H ARG 50 HN ARG 50 10.366 -14.356 -13.377 384 HA ARG 50 HA ARG 50 9.715 -16.535 -11.702 385 1HB ARG 50 HB2 ARG 50 10.260 -16.179 -14.412 386 2HB ARG 50 HB1 ARG 50 11.561 -17.220 -13.849 387 1HG ARG 50 HG2 ARG 50 9.740 -18.560 -14.671 388 2HG ARG 50 HG1 ARG 50 9.888 -18.771 -12.924 389 1HD ARG 50 HD2 ARG 50 8.136 -16.642 -13.208 390 2HD ARG 50 HD1 ARG 50 7.670 -17.752 -14.494 391 HE ARG 50 HE ARG 50 7.739 -19.448 -12.508 392 1HH1 ARG 50 1HH1 ARG 50 6.527 -16.159 -12.427 393 2HH1 ARG 50 2HH1 ARG 50 5.372 -16.490 -11.183 394 1HH2 ARG 50 1HH2 ARG 50 6.212 -19.870 -10.874 395 2HH2 ARG 50 2HH2 ARG 50 5.189 -18.594 -10.304 396 H ASP 51 HN ASP 51 12.722 -14.870 -12.435 397 HA ASP 51 HA ASP 51 14.575 -16.692 -11.423 398 1HB ASP 51 HB2 ASP 51 15.410 -14.827 -12.624 399 2HB ASP 51 HB1 ASP 51 14.581 -13.681 -11.577 400 H LEU 52 HN LEU 52 13.178 -13.886 -9.714 401 HA LEU 52 HA LEU 52 14.183 -14.664 -7.177 402 1HB LEU 52 HB2 LEU 52 13.404 -12.340 -8.027 403 2HB LEU 52 HB1 LEU 52 11.809 -12.872 -7.534 404 HG LEU 52 HG LEU 52 13.531 -13.385 -5.352 405 1HD1 LEU 52 1HD1 LEU 52 15.127 -11.834 -6.362 406 2HD1 LEU 52 3HD1 LEU 52 13.873 -10.596 -6.446 407 3HD1 LEU 52 2HD1 LEU 52 14.436 -11.176 -4.878 408 1HD2 LEU 52 3HD2 LEU 52 11.140 -12.833 -5.265 409 2HD2 LEU 52 2HD2 LEU 52 12.099 -11.788 -4.216 410 3HD2 LEU 52 1HD2 LEU 52 11.512 -11.183 -5.766 411 H TYR 53 HN TYR 53 11.391 -15.617 -8.979 412 HA TYR 53 HA TYR 53 9.714 -16.359 -6.818 413 1HB TYR 53 HB2 TYR 53 9.129 -16.080 -9.331 414 2HB TYR 53 HB1 TYR 53 9.676 -17.744 -9.489 415 HD1 TYR 53 HD1 TYR 53 6.982 -15.579 -8.492 416 HD2 TYR 53 HD2 TYR 53 8.509 -19.535 -8.144 417 HE1 TYR 53 HE1 TYR 53 4.766 -16.365 -7.774 418 HE2 TYR 53 HE2 TYR 53 6.297 -20.332 -7.425 419 HH TYR 53 HH TYR 53 4.089 -18.776 -6.198 420 H SER 54 HN SER 54 11.988 -18.225 -8.833 421 HA SER 54 HA SER 54 11.594 -20.710 -7.583 422 1HB SER 54 HB2 SER 54 12.809 -20.258 -9.773 423 2HB SER 54 HB1 SER 54 14.202 -19.786 -8.800 424 HG SER 54 HG SER 54 14.537 -21.817 -8.267 425 H LYS 55 HN LYS 55 14.028 -18.179 -6.979 426 HA LYS 55 HA LYS 55 15.378 -19.488 -4.888 427 1HB LYS 55 HB2 LYS 55 15.069 -16.551 -5.527 428 2HB LYS 55 HB1 LYS 55 16.125 -17.156 -4.258 429 1HG LYS 55 HG2 LYS 55 17.385 -18.434 -5.929 430 2HG LYS 55 HG1 LYS 55 16.338 -17.791 -7.196 431 1HD LYS 55 HD2 LYS 55 17.674 -15.846 -5.391 432 2HD LYS 55 HD1 LYS 55 18.676 -16.680 -6.579 433 1HE LYS 55 HE2 LYS 55 18.021 -15.137 -8.045 434 2HE LYS 55 HE1 LYS 55 16.439 -15.913 -8.018 435 1HZ LYS 55 HZ1 LYS 55 15.903 -14.414 -6.101 436 2HZ LYS 55 HZ3 LYS 55 17.333 -13.572 -6.434 437 3HZ LYS 55 HZ2 LYS 55 16.098 -13.633 -7.587 438 H SER 56 HN SER 56 12.696 -17.154 -4.826 439 HA SER 56 HA SER 56 12.470 -16.958 -2.031 440 1HB SER 56 HB2 SER 56 10.529 -16.456 -4.279 441 2HB SER 56 HB1 SER 56 10.058 -16.248 -2.592 442 HG SER 56 HG SER 56 11.907 -14.797 -4.121 443 H THR 57 HN THR 57 10.690 -19.057 -4.326 444 HA THR 57 HA THR 57 9.015 -20.292 -2.469 445 HB THR 57 HB THR 57 10.166 -21.418 -5.030 446 HG1 THR 57 HG1 THR 57 8.954 -19.831 -5.733 447 1HG2 THR 57 2HG2 THR 57 7.843 -22.347 -3.368 448 2HG2 THR 57 1HG2 THR 57 8.064 -22.776 -5.065 449 3HG2 THR 57 3HG2 THR 57 9.261 -23.269 -3.867 450 H ALA 58 HN ALA 58 12.314 -21.135 -3.473 451 HA ALA 58 HA ALA 58 12.523 -23.602 -2.167 452 1HB ALA 58 HB3 ALA 58 14.973 -23.202 -2.223 453 2HB ALA 58 HB1 ALA 58 14.656 -21.554 -2.766 454 3HB ALA 58 HB2 ALA 58 14.181 -22.921 -3.773 455 H ALA 59 HN ALA 59 13.778 -20.451 -1.028 456 HA ALA 59 HA ALA 59 14.362 -21.312 1.588 457 1HB ALA 59 HB3 ALA 59 13.728 -18.491 0.741 458 2HB ALA 59 HB1 ALA 59 15.286 -19.277 0.483 459 3HB ALA 59 HB2 ALA 59 14.694 -19.006 2.122 460 H MET 60 HN MET 60 11.387 -20.232 0.120 461 HA MET 60 HA MET 60 9.974 -19.437 2.404 462 1HB MET 60 HB2 MET 60 9.284 -20.224 -0.356 463 2HB MET 60 HB1 MET 60 7.995 -20.396 0.825 464 1HG MET 60 HG2 MET 60 9.534 -17.848 0.704 465 2HG MET 60 HG1 MET 60 8.295 -18.177 -0.506 466 1HE MET 60 HE2 MET 60 9.394 -17.559 2.847 467 2HE MET 60 HE1 MET 60 8.204 -16.331 3.275 468 3HE MET 60 HE3 MET 60 8.060 -17.963 3.927 469 H SER 61 HN SER 61 10.963 -22.602 1.483 470 HA SER 61 HA SER 61 8.831 -24.077 2.624 471 1HB SER 61 HB2 SER 61 10.306 -26.000 2.500 472 2HB SER 61 HB1 SER 61 10.502 -25.032 1.039 473 HG SER 61 HG SER 61 12.463 -24.403 1.694 474 H THR 62 HN THR 62 11.433 -22.336 4.023 475 HA THR 62 HA THR 62 10.980 -23.620 6.631 476 HB THR 62 HB THR 62 13.158 -22.548 7.284 477 HG1 THR 62 HG1 THR 62 13.689 -21.020 5.920 478 1HG2 THR 62 1HG2 THR 62 13.095 -24.896 6.556 479 2HG2 THR 62 3HG2 THR 62 13.396 -24.366 4.901 480 3HG2 THR 62 2HG2 THR 62 14.610 -24.088 6.150 481 H TYR 63 HN TYR 63 11.437 -20.449 5.073 482 HA TYR 63 HA TYR 63 10.850 -18.890 7.326 483 1HB TYR 63 HB2 TYR 63 10.764 -18.287 4.371 484 2HB TYR 63 HB1 TYR 63 10.442 -17.073 5.604 485 HD1 TYR 63 HD1 TYR 63 12.898 -18.311 3.508 486 HD2 TYR 63 HD2 TYR 63 12.344 -17.067 7.540 487 HE1 TYR 63 HE1 TYR 63 15.310 -17.874 3.699 488 HE2 TYR 63 HE2 TYR 63 14.754 -16.626 7.741 489 HH TYR 63 HH TYR 63 16.973 -17.766 6.161 490 H THR 64 HN THR 64 8.777 -20.689 5.220 491 HA THR 64 HA THR 64 6.468 -19.058 5.571 492 HB THR 64 HB THR 64 6.900 -21.868 4.617 493 HG1 THR 64 HG1 THR 64 6.875 -20.761 2.847 494 1HG2 THR 64 3HG2 THR 64 4.241 -20.660 5.301 495 2HG2 THR 64 2HG2 THR 64 4.429 -21.928 4.091 496 3HG2 THR 64 1HG2 THR 64 4.885 -22.234 5.766 497 H GLY 65 HN GLY 65 7.385 -22.168 7.033 498 1HA GLY 65 HA1 GLY 65 6.829 -23.081 9.072 499 2HA GLY 65 HA2 GLY 65 5.359 -22.111 9.012 500 H ILE 66 HN ILE 66 8.686 -20.946 8.911 501 HA ILE 66 HA ILE 66 8.925 -20.231 11.635 502 HB ILE 66 HB ILE 66 10.364 -19.235 9.176 503 1HG1 ILE 66 2HG1 ILE 66 11.485 -20.835 11.469 504 2HG1 ILE 66 1HG1 ILE 66 10.658 -21.617 10.126 505 1HG2 ILE 66 2HG2 ILE 66 10.703 -18.419 12.046 506 2HG2 ILE 66 1HG2 ILE 66 12.027 -18.312 10.885 507 3HG2 ILE 66 3HG2 ILE 66 10.543 -17.396 10.617 508 1HD1 ILE 66 1HD1 ILE 66 12.362 -20.194 8.706 509 2HD1 ILE 66 3HD1 ILE 66 13.289 -20.254 10.205 510 3HD1 ILE 66 2HD1 ILE 66 12.809 -21.750 9.406 511 H PHE 67 HN PHE 67 8.396 -18.134 8.792 512 HA PHE 67 HA PHE 67 7.891 -15.758 10.111 513 1HB PHE 67 HB2 PHE 67 8.132 -15.971 7.651 514 2HB PHE 67 HB1 PHE 67 6.523 -16.682 7.575 515 HD1 PHE 67 HD1 PHE 67 8.393 -13.604 8.400 516 HD2 PHE 67 HD2 PHE 67 4.592 -15.333 7.574 517 HE1 PHE 67 HE1 PHE 67 7.413 -11.355 8.217 518 HE2 PHE 67 HE2 PHE 67 3.607 -13.087 7.387 519 HZ PHE 67 HZ PHE 67 5.017 -11.094 7.708 520 H THR 68 HN THR 68 5.445 -18.106 9.013 521 HA THR 68 HA THR 68 3.263 -16.804 10.220 522 HB THR 68 HB THR 68 3.483 -19.739 9.542 523 HG1 THR 68 HG1 THR 68 2.793 -17.521 7.917 524 1HG2 THR 68 2HG2 THR 68 1.108 -17.920 9.821 525 2HG2 THR 68 1HG2 THR 68 1.053 -19.499 9.038 526 3HG2 THR 68 3HG2 THR 68 1.472 -19.376 10.747 527 H ASP 69 HN ASP 69 5.719 -18.783 11.557 528 HA ASP 69 HA ASP 69 4.375 -19.962 13.701 529 1HB ASP 69 HB2 ASP 69 6.997 -19.886 12.863 530 2HB ASP 69 HB1 ASP 69 7.062 -19.021 14.394 531 H GLN 70 HN GLN 70 6.128 -16.861 13.660 532 HA GLN 70 HA GLN 70 5.323 -16.140 16.285 533 1HB GLN 70 HB2 GLN 70 6.249 -13.930 15.760 534 2HB GLN 70 HB1 GLN 70 7.349 -15.221 15.302 535 1HG GLN 70 HG2 GLN 70 5.608 -14.480 13.114 536 2HG GLN 70 HG1 GLN 70 6.509 -13.098 13.729 537 1HE2 GLN 70 1HE2 GLN 70 7.564 -13.095 11.657 538 2HE2 GLN 70 2HE2 GLN 70 8.882 -14.172 11.360 539 H VAL 71 HN VAL 71 3.895 -15.613 13.119 540 HA VAL 71 HA VAL 71 2.108 -13.556 13.952 541 HB VAL 71 HB VAL 71 1.089 -13.620 11.877 542 1HG1 VAL 71 3HG1 VAL 71 3.772 -13.562 11.925 543 2HG1 VAL 71 2HG1 VAL 71 3.514 -14.895 10.799 544 3HG1 VAL 71 1HG1 VAL 71 2.811 -13.312 10.467 545 1HG2 VAL 71 3HG2 VAL 71 0.312 -15.947 11.951 546 2HG2 VAL 71 2HG2 VAL 71 0.970 -15.519 10.373 547 3HG2 VAL 71 1HG2 VAL 71 1.923 -16.489 11.490 548 H LEU 72 HN LEU 72 1.749 -17.044 13.481 549 HA LEU 72 HA LEU 72 -0.897 -17.304 14.358 550 1HB LEU 72 HB2 LEU 72 0.648 -19.055 13.259 551 2HB LEU 72 HB1 LEU 72 1.243 -19.356 14.881 552 HG LEU 72 HG LEU 72 -1.238 -19.757 15.492 553 1HD1 LEU 72 3HD1 LEU 72 -1.351 -20.084 12.496 554 2HD1 LEU 72 2HD1 LEU 72 -2.601 -20.589 13.632 555 3HD1 LEU 72 1HD1 LEU 72 -2.214 -18.879 13.451 556 1HD2 LEU 72 2HD2 LEU 72 0.256 -21.687 13.719 557 2HD2 LEU 72 1HD2 LEU 72 0.459 -21.503 15.461 558 3HD2 LEU 72 3HD2 LEU 72 -1.067 -22.102 14.809 559 H SER 73 HN SER 73 2.165 -17.024 16.038 560 HA SER 73 HA SER 73 1.351 -17.783 18.603 561 1HB SER 73 HB2 SER 73 3.723 -17.097 17.616 562 2HB SER 73 HB1 SER 73 3.299 -15.540 18.328 563 HG SER 73 HG SER 73 3.325 -16.415 20.306 564 H VAL 74 HN VAL 74 1.043 -14.700 16.928 565 HA VAL 74 HA VAL 74 0.089 -13.282 19.219 566 HB VAL 74 HB VAL 74 1.074 -12.349 16.974 567 1HG1 VAL 74 2HG1 VAL 74 -1.258 -13.352 15.938 568 2HG1 VAL 74 1HG1 VAL 74 -1.635 -11.644 16.156 569 3HG1 VAL 74 3HG1 VAL 74 -0.244 -12.122 15.185 570 1HG2 VAL 74 2HG2 VAL 74 0.452 -11.029 18.950 571 2HG2 VAL 74 1HG2 VAL 74 0.073 -10.192 17.444 572 3HG2 VAL 74 3HG2 VAL 74 -1.213 -10.966 18.370 573 H LEU 75 HN LEU 75 -1.346 -15.550 17.097 574 HA LEU 75 HA LEU 75 -4.033 -14.669 17.150 575 1HB LEU 75 HB2 LEU 75 -2.700 -16.683 15.885 576 2HB LEU 75 HB1 LEU 75 -3.590 -17.578 17.102 577 HG LEU 75 HG LEU 75 -4.845 -17.538 15.040 578 1HD1 LEU 75 3HD1 LEU 75 -6.020 -17.339 17.260 579 2HD1 LEU 75 2HD1 LEU 75 -6.190 -15.616 16.922 580 3HD1 LEU 75 1HD1 LEU 75 -6.939 -16.803 15.854 581 1HD2 LEU 75 1HD2 LEU 75 -3.752 -15.290 14.357 582 2HD2 LEU 75 3HD2 LEU 75 -5.395 -15.648 13.827 583 3HD2 LEU 75 2HD2 LEU 75 -5.126 -14.565 15.193 584 H LYS 76 HN LYS 76 -2.125 -16.739 19.215 585 HA LYS 76 HA LYS 76 -4.251 -17.499 20.959 586 1HB LYS 76 HB2 LYS 76 -1.266 -17.525 21.443 587 2HB LYS 76 HB1 LYS 76 -2.469 -18.350 22.424 588 1HG LYS 76 HG2 LYS 76 -2.182 -20.131 21.141 589 2HG LYS 76 HG1 LYS 76 -2.936 -19.234 19.822 590 1HD LYS 76 HD2 LYS 76 -0.977 -19.680 18.783 591 2HD LYS 76 HD1 LYS 76 -0.437 -18.254 19.669 592 1HE LYS 76 HE2 LYS 76 0.183 -19.913 21.538 593 2HE LYS 76 HE1 LYS 76 0.035 -21.150 20.290 594 1HZ LYS 76 HZ2 LYS 76 1.670 -19.848 18.971 595 2HZ LYS 76 HZ1 LYS 76 1.897 -18.840 20.310 596 3HZ LYS 76 HZ3 LYS 76 2.298 -20.480 20.408 597 H GLY 77 HN GLY 77 -1.803 -14.939 21.022 598 1HA GLY 77 HA1 GLY 77 -1.553 -13.094 22.360 599 2HA GLY 77 HA2 GLY 77 -2.289 -14.033 23.650 600 H GLU 78 HN GLU 78 -3.104 -12.162 20.734 601 HA GLU 78 HA GLU 78 -5.756 -11.612 21.858 602 1HB GLU 78 HB2 GLU 78 -3.697 -9.812 22.147 603 2HB GLU 78 HB1 GLU 78 -4.490 -9.240 20.686 604 1HG GLU 78 HG2 GLU 78 -5.924 -9.774 23.275 605 2HG GLU 78 HG1 GLU 78 -5.301 -8.197 22.794 606 H GLU 79 HN GLU 79 -4.859 -13.239 19.593 607 HA GLU 79 HA GLU 79 -5.602 -13.751 17.514 608 1HB GLU 79 HB2 GLU 79 -7.737 -12.635 18.402 609 2HB GLU 79 HB1 GLU 79 -7.240 -11.223 17.482 610 1HG GLU 79 HG2 GLU 79 -7.535 -13.929 16.220 611 2HG GLU 79 HG1 GLU 79 -8.887 -12.811 16.387 No H/Q in entry = 611 Start of MODEL 46 1 H1 THR 1 HT2 THR 1 28.232 -3.874 42.752 2 H2 THR 1 HT1 THR 1 29.494 -4.149 43.883 3 H3 THR 1 HT3 THR 1 29.453 -2.690 42.982 4 HA THR 1 HA THR 1 29.921 -3.775 40.997 5 HB THR 1 HB THR 1 32.086 -4.982 41.684 6 HG1 THR 1 HG1 THR 1 32.183 -5.540 43.688 7 1HG2 THR 1 3HG2 THR 1 31.991 -2.561 41.170 8 2HG2 THR 1 2HG2 THR 1 31.701 -2.253 42.882 9 3HG2 THR 1 1HG2 THR 1 33.216 -2.994 42.364 10 H GLN 2 HN GLN 2 29.974 -6.274 43.562 11 HA GLN 2 HA GLN 2 29.772 -8.434 41.729 12 1HB GLN 2 HB2 GLN 2 29.391 -9.832 43.722 13 2HB GLN 2 HB1 GLN 2 30.773 -8.764 43.915 14 1HG GLN 2 HG2 GLN 2 29.905 -8.134 45.849 15 2HG GLN 2 HG1 GLN 2 28.629 -7.324 44.944 16 1HE2 GLN 2 1HE2 GLN 2 29.461 -9.997 46.947 17 2HE2 GLN 2 2HE2 GLN 2 27.872 -10.660 47.095 18 H GLN 3 HN GLN 3 27.399 -6.587 43.573 19 HA GLN 3 HA GLN 3 25.228 -8.308 42.669 20 1HB GLN 3 HB2 GLN 3 25.459 -7.208 45.018 21 2HB GLN 3 HB1 GLN 3 24.856 -5.763 44.219 22 1HG GLN 3 HG2 GLN 3 23.369 -8.330 43.932 23 2HG GLN 3 HG1 GLN 3 23.219 -7.392 45.417 24 1HE2 GLN 3 1HE2 GLN 3 22.574 -5.112 45.162 25 2HE2 GLN 3 2HE2 GLN 3 21.465 -4.712 43.898 26 HA PRO 4 HA PRO 4 24.656 -5.600 39.146 27 1HB PRO 4 HB2 PRO 4 22.385 -7.280 38.440 28 2HB PRO 4 HB1 PRO 4 23.940 -7.116 37.624 29 1HG PRO 4 HG2 PRO 4 23.186 -9.368 38.944 30 2HG PRO 4 HG1 PRO 4 24.876 -8.860 38.779 31 1HD PRO 4 HD2 PRO 4 23.020 -8.545 41.112 32 2HD PRO 4 HD1 PRO 4 24.737 -9.004 41.090 33 H GLN 5 HN GLN 5 23.859 -4.134 41.047 34 HA GLN 5 HA GLN 5 21.039 -3.909 41.441 35 1HB GLN 5 HB2 GLN 5 22.777 -3.146 43.081 36 2HB GLN 5 HB1 GLN 5 23.163 -1.826 41.987 37 1HG GLN 5 HG2 GLN 5 20.348 -2.180 42.891 38 2HG GLN 5 HG1 GLN 5 21.528 -1.482 43.998 39 1HE2 GLN 5 1HE2 GLN 5 22.862 0.326 43.014 40 2HE2 GLN 5 2HE2 GLN 5 22.009 1.466 42.036 41 H GLN 6 HN GLN 6 23.270 -1.501 40.028 42 HA GLN 6 HA GLN 6 21.204 -0.132 38.652 43 1HB GLN 6 HB2 GLN 6 22.979 1.180 37.643 44 2HB GLN 6 HB1 GLN 6 23.322 0.940 39.349 45 1HG GLN 6 HG2 GLN 6 24.501 -1.040 37.513 46 2HG GLN 6 HG1 GLN 6 25.125 0.603 37.385 47 1HE2 GLN 6 1HE2 GLN 6 26.306 1.471 39.069 48 2HE2 GLN 6 2HE2 GLN 6 26.883 0.521 40.392 49 H ASP 7 HN ASP 7 21.480 0.296 36.172 50 HA ASP 7 HA ASP 7 21.010 -2.184 34.846 51 1HB ASP 7 HB2 ASP 7 19.834 -0.095 34.231 52 2HB ASP 7 HB1 ASP 7 21.355 0.579 33.655 53 H GLU 8 HN GLU 8 23.024 -3.285 35.216 54 HA GLU 8 HA GLU 8 25.488 -2.301 34.183 55 1HB GLU 8 HB2 GLU 8 24.533 -4.757 35.478 56 2HB GLU 8 HB1 GLU 8 25.819 -5.027 34.311 57 1HG GLU 8 HG2 GLU 8 27.314 -4.376 35.797 58 2HG GLU 8 HG1 GLU 8 26.551 -2.789 35.881 59 H MET 9 HN MET 9 23.162 -4.729 33.003 60 HA MET 9 HA MET 9 24.553 -5.247 30.580 61 1HB MET 9 HB2 MET 9 21.715 -5.775 31.458 62 2HB MET 9 HB1 MET 9 22.319 -6.248 29.876 63 1HG MET 9 HG2 MET 9 23.004 -8.144 30.778 64 2HG MET 9 HG1 MET 9 24.194 -7.223 31.695 65 1HE MET 9 HE3 MET 9 24.459 -7.097 33.772 66 2HE MET 9 HE2 MET 9 23.161 -6.303 34.664 67 3HE MET 9 HE1 MET 9 23.591 -7.974 35.032 68 HA PRO 10 HA PRO 10 23.387 -1.525 28.416 69 1HB PRO 10 HB2 PRO 10 24.212 -2.290 25.937 70 2HB PRO 10 HB1 PRO 10 25.321 -1.757 27.204 71 1HG PRO 10 HG2 PRO 10 24.617 -4.538 26.349 72 2HG PRO 10 HG1 PRO 10 26.205 -3.858 26.751 73 1HD PRO 10 HD2 PRO 10 24.797 -5.373 28.491 74 2HD PRO 10 HD1 PRO 10 25.851 -4.048 29.023 75 H SER 11 HN SER 11 21.502 -0.890 27.563 76 HA SER 11 HA SER 11 19.500 -2.801 26.865 77 1HB SER 11 HB2 SER 11 18.115 -0.769 26.349 78 2HB SER 11 HB1 SER 11 18.809 -0.776 27.970 79 HG SER 11 HG SER 11 19.360 0.868 25.802 80 HA PRO 12 HA PRO 12 20.621 -3.273 22.566 81 1HB PRO 12 HB2 PRO 12 17.838 -4.253 22.312 82 2HB PRO 12 HB1 PRO 12 19.356 -5.058 21.906 83 1HG PRO 12 HG2 PRO 12 17.941 -5.791 24.047 84 2HG PRO 12 HG1 PRO 12 19.714 -5.772 24.079 85 1HD PRO 12 HD2 PRO 12 17.775 -3.797 25.222 86 2HD PRO 12 HD1 PRO 12 19.293 -4.413 25.907 87 H THR 13 HN THR 13 20.402 -2.035 20.774 88 HA THR 13 HA THR 13 18.765 0.299 20.888 89 HB THR 13 HB THR 13 19.638 0.573 18.467 90 HG1 THR 13 HG1 THR 13 21.259 -0.771 17.860 91 1HG2 THR 13 2HG2 THR 13 20.641 1.577 20.598 92 2HG2 THR 13 1HG2 THR 13 21.855 0.304 20.455 93 3HG2 THR 13 3HG2 THR 13 21.655 1.482 19.158 94 H PHE 14 HN PHE 14 18.910 -2.090 18.237 95 HA PHE 14 HA PHE 14 17.339 -2.944 16.851 96 1HB PHE 14 HB2 PHE 14 15.820 -2.692 19.422 97 2HB PHE 14 HB1 PHE 14 14.974 -3.186 17.961 98 HD1 PHE 14 HD1 PHE 14 17.857 -4.043 20.133 99 HD2 PHE 14 HD2 PHE 14 15.045 -5.400 17.240 100 HE1 PHE 14 HE1 PHE 14 18.621 -6.356 20.480 101 HE2 PHE 14 HE2 PHE 14 15.804 -7.715 17.583 102 HZ PHE 14 HZ PHE 14 17.594 -8.195 19.205 103 H LEU 15 HN LEU 15 14.920 -0.929 18.468 104 HA LEU 15 HA LEU 15 13.950 0.146 16.056 105 1HB LEU 15 HB2 LEU 15 12.794 -0.054 18.350 106 2HB LEU 15 HB1 LEU 15 13.584 1.463 18.731 107 HG LEU 15 HG LEU 15 12.456 2.326 16.554 108 1HD1 LEU 15 3HD1 LEU 15 11.701 0.153 15.748 109 2HD1 LEU 15 2HD1 LEU 15 10.713 -0.050 17.196 110 3HD1 LEU 15 1HD1 LEU 15 10.335 1.228 16.041 111 1HD2 LEU 15 2HD2 LEU 15 11.913 3.105 18.801 112 2HD2 LEU 15 1HD2 LEU 15 10.458 2.947 17.818 113 3HD2 LEU 15 3HD2 LEU 15 10.841 1.724 19.030 114 H THR 16 HN THR 16 15.878 1.686 18.637 115 HA THR 16 HA THR 16 16.231 4.164 17.394 116 HB THR 16 HB THR 16 18.325 4.301 18.844 117 HG1 THR 16 HG1 THR 16 18.891 2.621 20.010 118 1HG2 THR 16 1HG2 THR 16 16.128 5.082 19.640 119 2HG2 THR 16 3HG2 THR 16 15.822 3.471 20.289 120 3HG2 THR 16 2HG2 THR 16 17.148 4.441 20.929 121 H GLN 17 HN GLN 17 17.983 1.136 17.000 122 HA GLN 17 HA GLN 17 20.215 2.106 15.599 123 1HB GLN 17 HB2 GLN 17 19.691 -0.263 16.585 124 2HB GLN 17 HB1 GLN 17 19.030 -0.577 14.988 125 1HG GLN 17 HG2 GLN 17 21.816 0.459 15.404 126 2HG GLN 17 HG1 GLN 17 21.432 -1.261 15.395 127 1HE2 GLN 17 1HE2 GLN 17 19.967 -1.848 13.419 128 2HE2 GLN 17 2HE2 GLN 17 20.535 -1.249 11.901 129 H VAL 18 HN VAL 18 17.069 0.946 14.447 130 HA VAL 18 HA VAL 18 17.141 0.695 11.829 131 HB VAL 18 HB VAL 18 15.172 2.488 13.250 132 1HG1 VAL 18 2HG1 VAL 18 15.158 1.353 10.468 133 2HG1 VAL 18 1HG1 VAL 18 13.671 1.803 11.305 134 3HG1 VAL 18 3HG1 VAL 18 14.904 3.022 10.981 135 1HG2 VAL 18 2HG2 VAL 18 15.630 -0.260 13.458 136 2HG2 VAL 18 1HG2 VAL 18 14.222 0.634 14.031 137 3HG2 VAL 18 3HG2 VAL 18 14.208 -0.102 12.428 138 H LYS 19 HN LYS 19 17.277 3.945 13.307 139 HA LYS 19 HA LYS 19 17.258 5.495 11.031 140 1HB LYS 19 HB2 LYS 19 18.455 5.836 13.740 141 2HB LYS 19 HB1 LYS 19 18.882 6.997 12.490 142 1HG LYS 19 HG2 LYS 19 16.021 6.342 13.088 143 2HG LYS 19 HG1 LYS 19 16.911 7.538 14.031 144 1HD LYS 19 HD2 LYS 19 17.213 8.942 12.175 145 2HD LYS 19 HD1 LYS 19 16.807 7.660 11.032 146 1HE LYS 19 HE2 LYS 19 14.490 7.673 11.933 147 2HE LYS 19 HE1 LYS 19 14.929 9.056 12.934 148 1HZ LYS 19 HZ1 LYS 19 15.430 10.302 10.919 149 2HZ LYS 19 HZ3 LYS 19 14.992 8.974 9.964 150 3HZ LYS 19 HZ2 LYS 19 13.829 9.758 10.908 151 H GLU 20 HN GLU 20 20.161 4.193 12.649 152 HA GLU 20 HA GLU 20 21.991 5.147 10.724 153 1HB GLU 20 HB2 GLU 20 22.307 2.743 12.527 154 2HB GLU 20 HB1 GLU 20 23.603 3.624 11.731 155 1HG GLU 20 HG2 GLU 20 23.782 4.670 13.698 156 2HG GLU 20 HG1 GLU 20 22.416 5.621 13.117 157 H SER 21 HN SER 21 19.987 2.313 10.878 158 HA SER 21 HA SER 21 21.286 0.721 8.948 159 1HB SER 21 HB2 SER 21 19.288 0.195 10.600 160 2HB SER 21 HB1 SER 21 18.306 0.646 9.206 161 HG SER 21 HG SER 21 18.960 -1.093 8.161 162 H LEU 22 HN LEU 22 18.767 3.197 8.674 163 HA LEU 22 HA LEU 22 18.368 2.875 5.872 164 1HB LEU 22 HB2 LEU 22 16.787 3.940 7.575 165 2HB LEU 22 HB1 LEU 22 17.794 5.370 7.455 166 HG LEU 22 HG LEU 22 17.308 5.087 4.868 167 1HD1 LEU 22 1HD1 LEU 22 16.080 2.985 5.124 168 2HD1 LEU 22 3HD1 LEU 22 14.897 3.804 6.143 169 3HD1 LEU 22 2HD1 LEU 22 15.064 4.258 4.448 170 1HD2 LEU 22 2HD2 LEU 22 16.747 7.041 6.213 171 2HD2 LEU 22 1HD2 LEU 22 15.425 6.625 5.123 172 3HD2 LEU 22 3HD2 LEU 22 15.318 6.216 6.835 173 H SER 23 HN SER 23 20.501 4.870 7.842 174 HA SER 23 HA SER 23 21.339 6.690 5.891 175 1HB SER 23 HB2 SER 23 22.939 5.568 8.205 176 2HB SER 23 HB1 SER 23 23.333 7.029 7.300 177 HG SER 23 HG SER 23 21.354 6.587 9.205 178 H SER 24 HN SER 24 22.870 3.626 6.889 179 HA SER 24 HA SER 24 24.868 3.651 4.893 180 1HB SER 24 HB2 SER 24 24.720 2.222 7.049 181 2HB SER 24 HB1 SER 24 23.752 1.116 6.073 182 HG SER 24 HG SER 24 25.477 0.569 4.953 183 H TYR 25 HN TYR 25 21.506 2.968 4.739 184 HA TYR 25 HA TYR 25 21.624 1.242 2.439 185 1HB TYR 25 HB2 TYR 25 19.765 1.222 4.144 186 2HB TYR 25 HB1 TYR 25 19.232 2.765 3.487 187 HD1 TYR 25 HD1 TYR 25 19.510 -0.838 2.858 188 HD2 TYR 25 HD2 TYR 25 18.152 2.891 1.323 189 HE1 TYR 25 HE1 TYR 25 18.191 -2.025 1.156 190 HE2 TYR 25 HE2 TYR 25 16.829 1.714 -0.383 191 HH TYR 25 HH TYR 25 17.230 -1.031 -1.453 192 H TRP 26 HN TRP 26 21.044 4.677 3.050 193 HA TRP 26 HA TRP 26 20.272 5.398 0.438 194 1HB TRP 26 HB2 TRP 26 20.161 6.746 2.672 195 2HB TRP 26 HB1 TRP 26 21.780 7.277 2.229 196 HD1 TRP 26 HD1 TRP 26 21.872 9.382 0.774 197 HE1 TRP 26 HE1 TRP 26 20.208 10.669 -0.710 198 HE3 TRP 26 HE3 TRP 26 17.891 6.185 1.051 199 HZ2 TRP 26 HZ2 TRP 26 17.560 10.369 -1.641 200 HZ3 TRP 26 HZ3 TRP 26 15.831 6.758 -0.165 201 HH2 TRP 26 HH2 TRP 26 15.670 8.808 -1.482 202 H GLU 27 HN GLU 27 23.423 5.199 2.001 203 HA GLU 27 HA GLU 27 25.138 6.424 0.304 204 1HB GLU 27 HB2 GLU 27 25.318 4.033 2.027 205 2HB GLU 27 HB1 GLU 27 26.545 4.143 0.773 206 1HG GLU 27 HG2 GLU 27 27.493 5.160 2.649 207 2HG GLU 27 HG1 GLU 27 26.989 6.492 1.613 208 H SER 28 HN SER 28 24.159 3.021 -0.049 209 HA SER 28 HA SER 28 25.129 2.940 -2.776 210 1HB SER 28 HB2 SER 28 24.407 0.570 -2.707 211 2HB SER 28 HB1 SER 28 25.465 0.983 -1.358 212 HG SER 28 HG SER 28 23.858 0.710 0.006 213 H ALA 29 HN ALA 29 22.192 3.742 -1.212 214 HA ALA 29 HA ALA 29 20.288 2.797 -3.053 215 1HB ALA 29 HB2 ALA 29 19.701 3.703 -0.849 216 2HB ALA 29 HB3 ALA 29 18.787 4.475 -2.143 217 3HB ALA 29 HB1 ALA 29 20.147 5.317 -1.402 218 H LYS 30 HN LYS 30 22.281 5.719 -3.070 219 HA LYS 30 HA LYS 30 21.051 7.149 -5.095 220 1HB LYS 30 HB2 LYS 30 22.870 8.078 -3.772 221 2HB LYS 30 HB1 LYS 30 23.999 6.926 -4.469 222 1HG LYS 30 HG2 LYS 30 22.979 8.166 -6.690 223 2HG LYS 30 HG1 LYS 30 23.033 9.473 -5.506 224 1HD LYS 30 HD2 LYS 30 25.129 9.537 -6.558 225 2HD LYS 30 HD1 LYS 30 25.423 8.711 -5.028 226 1HE LYS 30 HE2 LYS 30 24.687 6.877 -7.162 227 2HE LYS 30 HE1 LYS 30 26.132 7.811 -7.546 228 1HZ LYS 30 HZ2 LYS 30 27.037 7.111 -5.364 229 2HZ LYS 30 HZ1 LYS 30 25.699 6.097 -5.161 230 3HZ LYS 30 HZ3 LYS 30 26.782 5.824 -6.431 231 H THR 31 HN THR 31 23.743 4.848 -5.493 232 HA THR 31 HA THR 31 23.959 4.837 -8.239 233 HB THR 31 HB THR 31 24.144 2.334 -6.554 234 HG1 THR 31 HG1 THR 31 25.558 3.436 -5.460 235 1HG2 THR 31 1HG2 THR 31 25.638 3.213 -9.012 236 2HG2 THR 31 3HG2 THR 31 26.009 1.779 -8.055 237 3HG2 THR 31 2HG2 THR 31 24.465 1.901 -8.897 238 H ALA 32 HN ALA 32 21.620 3.219 -6.181 239 HA ALA 32 HA ALA 32 20.410 1.596 -8.144 240 1HB ALA 32 HB2 ALA 32 18.751 2.722 -5.947 241 2HB ALA 32 HB1 ALA 32 18.854 1.070 -6.557 242 3HB ALA 32 HB3 ALA 32 20.128 1.707 -5.517 243 H ALA 33 HN ALA 33 19.776 4.934 -7.093 244 HA ALA 33 HA ALA 33 17.437 5.470 -8.444 245 1HB ALA 33 HB1 ALA 33 18.725 7.013 -6.904 246 2HB ALA 33 HB3 ALA 33 19.699 7.444 -8.309 247 3HB ALA 33 HB2 ALA 33 17.966 7.769 -8.305 248 H GLN 34 HN GLN 34 20.712 6.009 -9.748 249 HA GLN 34 HA GLN 34 19.814 6.614 -12.359 250 1HB GLN 34 HB2 GLN 34 22.489 5.637 -11.344 251 2HB GLN 34 HB1 GLN 34 22.202 6.110 -13.013 252 1HG GLN 34 HG2 GLN 34 22.507 8.243 -12.521 253 2HG GLN 34 HG1 GLN 34 21.290 8.176 -11.248 254 1HE2 GLN 34 1HE2 GLN 34 21.939 7.740 -9.118 255 2HE2 GLN 34 2HE2 GLN 34 23.582 7.922 -8.618 256 H ASN 35 HN ASN 35 20.720 3.632 -10.730 257 HA ASN 35 HA ASN 35 20.774 1.950 -12.994 258 1HB ASN 35 HB2 ASN 35 21.560 1.452 -10.585 259 2HB ASN 35 HB1 ASN 35 19.882 1.017 -10.274 260 1HD2 ASN 35 1HD2 ASN 35 19.010 -0.813 -11.252 261 2HD2 ASN 35 2HD2 ASN 35 20.005 -2.024 -11.980 262 H LEU 36 HN LEU 36 18.158 3.250 -11.143 263 HA LEU 36 HA LEU 36 16.080 1.505 -11.806 264 1HB LEU 36 HB2 LEU 36 16.070 3.524 -10.192 265 2HB LEU 36 HB1 LEU 36 15.737 4.493 -11.616 266 HG LEU 36 HG LEU 36 13.956 2.169 -11.210 267 1HD1 LEU 36 2HD1 LEU 36 14.238 2.965 -8.909 268 2HD1 LEU 36 1HD1 LEU 36 13.793 4.592 -9.422 269 3HD1 LEU 36 3HD1 LEU 36 12.615 3.284 -9.522 270 1HD2 LEU 36 1HD2 LEU 36 13.523 5.069 -11.924 271 2HD2 LEU 36 3HD2 LEU 36 13.618 3.712 -13.049 272 3HD2 LEU 36 2HD2 LEU 36 12.275 3.822 -11.911 273 H TYR 37 HN TYR 37 17.383 4.363 -13.376 274 HA TYR 37 HA TYR 37 15.694 4.340 -15.651 275 1HB TYR 37 HB2 TYR 37 18.449 5.501 -15.192 276 2HB TYR 37 HB1 TYR 37 17.552 5.723 -16.689 277 HD1 TYR 37 HD1 TYR 37 17.787 6.639 -13.157 278 HD2 TYR 37 HD2 TYR 37 15.563 7.135 -16.752 279 HE1 TYR 37 HE1 TYR 37 16.636 8.576 -12.173 280 HE2 TYR 37 HE2 TYR 37 14.410 9.074 -15.777 281 HH TYR 37 HH TYR 37 15.260 10.835 -13.625 282 H GLU 38 HN GLU 38 18.796 2.861 -14.873 283 HA GLU 38 HA GLU 38 19.474 1.851 -17.394 284 1HB GLU 38 HB2 GLU 38 20.747 1.852 -15.062 285 2HB GLU 38 HB1 GLU 38 20.095 0.222 -14.975 286 1HG GLU 38 HG2 GLU 38 21.875 1.329 -17.135 287 2HG GLU 38 HG1 GLU 38 22.333 0.187 -15.873 288 H LYS 39 HN LYS 39 17.778 0.227 -14.740 289 HA LYS 39 HA LYS 39 17.238 -2.183 -16.022 290 1HB LYS 39 HB2 LYS 39 16.508 -0.895 -13.579 291 2HB LYS 39 HB1 LYS 39 15.059 -1.582 -14.296 292 1HG LYS 39 HG2 LYS 39 17.182 -3.486 -14.468 293 2HG LYS 39 HG1 LYS 39 17.058 -2.890 -12.812 294 1HD LYS 39 HD2 LYS 39 15.568 -4.655 -12.797 295 2HD LYS 39 HD1 LYS 39 14.507 -3.288 -13.143 296 1HE LYS 39 HE2 LYS 39 15.641 -4.452 -15.554 297 2HE LYS 39 HE1 LYS 39 14.720 -5.624 -14.613 298 1HZ LYS 39 HZ1 LYS 39 13.686 -2.961 -15.420 299 2HZ LYS 39 HZ3 LYS 39 13.383 -4.395 -16.266 300 3HZ LYS 39 HZ2 LYS 39 12.815 -4.209 -14.684 301 H THR 40 HN THR 40 15.881 0.915 -16.641 302 HA THR 40 HA THR 40 13.324 0.059 -17.568 303 HB THR 40 HB THR 40 14.872 2.541 -18.340 304 HG1 THR 40 HG1 THR 40 14.601 2.662 -16.180 305 1HG2 THR 40 2HG2 THR 40 11.941 1.902 -18.514 306 2HG2 THR 40 1HG2 THR 40 12.613 3.527 -18.653 307 3HG2 THR 40 3HG2 THR 40 13.039 2.292 -19.838 308 H TYR 41 HN TYR 41 16.387 0.769 -19.154 309 HA TYR 41 HA TYR 41 15.540 0.214 -21.798 310 1HB TYR 41 HB2 TYR 41 18.388 -0.181 -20.941 311 2HB TYR 41 HB1 TYR 41 17.763 0.490 -22.442 312 HD1 TYR 41 HD1 TYR 41 16.098 2.665 -21.775 313 HD2 TYR 41 HD2 TYR 41 19.611 1.365 -19.755 314 HE1 TYR 41 HE1 TYR 41 16.421 4.934 -20.888 315 HE2 TYR 41 HE2 TYR 41 19.943 3.631 -18.863 316 HH TYR 41 HH TYR 41 18.908 6.205 -19.941 317 H LEU 42 HN LEU 42 17.061 -1.794 -19.303 318 HA LEU 42 HA LEU 42 17.262 -4.095 -21.021 319 1HB LEU 42 HB2 LEU 42 18.088 -3.357 -18.314 320 2HB LEU 42 HB1 LEU 42 17.572 -5.026 -18.451 321 HG LEU 42 HG LEU 42 19.199 -5.252 -20.379 322 1HD1 LEU 42 3HD1 LEU 42 19.427 -2.839 -20.825 323 2HD1 LEU 42 2HD1 LEU 42 20.257 -2.653 -19.280 324 3HD1 LEU 42 1HD1 LEU 42 20.980 -3.631 -20.557 325 1HD2 LEU 42 3HD2 LEU 42 19.625 -6.099 -18.101 326 2HD2 LEU 42 2HD2 LEU 42 21.098 -5.586 -18.923 327 3HD2 LEU 42 1HD2 LEU 42 20.373 -4.555 -17.689 328 HA PRO 43 HA PRO 43 13.261 -5.773 -20.009 329 1HB PRO 43 HB2 PRO 43 13.427 -8.030 -21.411 330 2HB PRO 43 HB1 PRO 43 13.451 -6.460 -22.219 331 1HG PRO 43 HG2 PRO 43 15.689 -8.345 -21.675 332 2HG PRO 43 HG1 PRO 43 15.441 -7.263 -23.055 333 1HD PRO 43 HD2 PRO 43 17.069 -6.783 -20.792 334 2HD PRO 43 HD1 PRO 43 16.626 -5.614 -22.052 335 H ALA 44 HN ALA 44 15.617 -6.347 -18.119 336 HA ALA 44 HA ALA 44 15.520 -9.054 -17.322 337 1HB ALA 44 HB1 ALA 44 16.267 -6.679 -15.626 338 2HB ALA 44 HB3 ALA 44 16.731 -8.361 -15.369 339 3HB ALA 44 HB2 ALA 44 17.348 -7.479 -16.766 340 H VAL 45 HN VAL 45 13.274 -6.520 -16.855 341 HA VAL 45 HA VAL 45 12.176 -6.944 -14.381 342 HB VAL 45 HB VAL 45 11.439 -5.141 -15.861 343 1HG1 VAL 45 1HG1 VAL 45 11.361 -6.605 -17.926 344 2HG1 VAL 45 3HG1 VAL 45 9.779 -7.146 -17.365 345 3HG1 VAL 45 2HG1 VAL 45 10.048 -5.444 -17.739 346 1HG2 VAL 45 2HG2 VAL 45 10.032 -6.005 -13.950 347 2HG2 VAL 45 1HG2 VAL 45 9.175 -5.079 -15.183 348 3HG2 VAL 45 3HG2 VAL 45 9.057 -6.839 -15.161 349 H ASP 46 HN ASP 46 11.453 -8.738 -17.371 350 HA ASP 46 HA ASP 46 9.471 -10.400 -16.183 351 1HB ASP 46 HB2 ASP 46 9.786 -9.911 -18.666 352 2HB ASP 46 HB1 ASP 46 11.102 -11.080 -18.630 353 H GLU 47 HN GLU 47 12.964 -10.636 -16.560 354 HA GLU 47 HA GLU 47 13.194 -13.392 -15.891 355 1HB GLU 47 HB2 GLU 47 14.975 -12.102 -17.031 356 2HB GLU 47 HB1 GLU 47 15.237 -11.186 -15.554 357 1HG GLU 47 HG2 GLU 47 15.380 -14.008 -15.023 358 2HG GLU 47 HG1 GLU 47 16.475 -13.564 -16.332 359 H LYS 48 HN LYS 48 13.306 -10.415 -13.972 360 HA LYS 48 HA LYS 48 14.064 -11.521 -11.517 361 1HB LYS 48 HB2 LYS 48 12.910 -9.005 -12.457 362 2HB LYS 48 HB1 LYS 48 12.403 -9.428 -10.829 363 1HG LYS 48 HG2 LYS 48 14.323 -8.101 -10.581 364 2HG LYS 48 HG1 LYS 48 14.847 -9.760 -10.287 365 1HD LYS 48 HD2 LYS 48 16.500 -9.182 -11.722 366 2HD LYS 48 HD1 LYS 48 15.290 -9.612 -12.932 367 1HE LYS 48 HE2 LYS 48 15.041 -7.485 -13.615 368 2HE LYS 48 HE1 LYS 48 15.110 -6.847 -11.973 369 1HZ LYS 48 HZ3 LYS 48 17.526 -7.804 -13.396 370 2HZ LYS 48 HZ2 LYS 48 16.982 -6.208 -13.518 371 3HZ LYS 48 HZ1 LYS 48 17.441 -6.829 -12.015 372 H LEU 49 HN LEU 49 10.988 -11.576 -13.156 373 HA LEU 49 HA LEU 49 9.313 -12.075 -10.944 374 1HB LEU 49 HB2 LEU 49 9.100 -12.171 -13.846 375 2HB LEU 49 HB1 LEU 49 8.198 -13.466 -13.086 376 HG LEU 49 HG LEU 49 6.796 -11.503 -13.505 377 1HD1 LEU 49 2HD1 LEU 49 6.288 -12.972 -11.612 378 2HD1 LEU 49 1HD1 LEU 49 7.291 -11.966 -10.567 379 3HD1 LEU 49 3HD1 LEU 49 5.826 -11.301 -11.287 380 1HD2 LEU 49 3HD2 LEU 49 8.566 -9.802 -13.306 381 2HD2 LEU 49 2HD2 LEU 49 7.152 -9.422 -12.322 382 3HD2 LEU 49 1HD2 LEU 49 8.606 -10.071 -11.564 383 H ARG 50 HN ARG 50 10.457 -14.399 -13.397 384 HA ARG 50 HA ARG 50 9.853 -16.691 -11.866 385 1HB ARG 50 HB2 ARG 50 11.295 -16.104 -14.370 386 2HB ARG 50 HB1 ARG 50 11.836 -17.551 -13.532 387 1HG ARG 50 HG2 ARG 50 10.171 -18.181 -15.115 388 2HG ARG 50 HG1 ARG 50 9.480 -18.342 -13.499 389 1HD ARG 50 HD2 ARG 50 8.769 -15.808 -14.063 390 2HD ARG 50 HD1 ARG 50 8.790 -16.485 -15.691 391 HE ARG 50 HE ARG 50 7.333 -18.305 -14.437 392 1HH1 ARG 50 1HH1 ARG 50 7.150 -14.810 -14.247 393 2HH1 ARG 50 2HH1 ARG 50 5.456 -14.798 -13.896 394 1HH2 ARG 50 1HH2 ARG 50 5.101 -18.277 -13.979 395 2HH2 ARG 50 2HH2 ARG 50 4.292 -16.764 -13.745 396 H ASP 51 HN ASP 51 12.650 -14.585 -12.031 397 HA ASP 51 HA ASP 51 14.583 -16.191 -10.827 398 1HB ASP 51 HB2 ASP 51 15.002 -13.957 -11.857 399 2HB ASP 51 HB1 ASP 51 14.245 -13.206 -10.456 400 H LEU 52 HN LEU 52 12.443 -13.816 -9.246 401 HA LEU 52 HA LEU 52 13.179 -14.517 -6.611 402 1HB LEU 52 HB2 LEU 52 11.062 -12.886 -7.883 403 2HB LEU 52 HB1 LEU 52 10.716 -13.466 -6.266 404 HG LEU 52 HG LEU 52 11.664 -11.213 -6.227 405 1HD1 LEU 52 1HD1 LEU 52 12.103 -12.871 -4.397 406 2HD1 LEU 52 3HD1 LEU 52 13.678 -13.163 -5.134 407 3HD1 LEU 52 2HD1 LEU 52 13.275 -11.559 -4.520 408 1HD2 LEU 52 1HD2 LEU 52 14.094 -12.484 -7.486 409 2HD2 LEU 52 3HD2 LEU 52 13.007 -11.326 -8.254 410 3HD2 LEU 52 2HD2 LEU 52 13.993 -10.831 -6.878 411 H TYR 53 HN TYR 53 10.876 -15.881 -8.854 412 HA TYR 53 HA TYR 53 9.274 -17.270 -6.968 413 1HB TYR 53 HB2 TYR 53 9.759 -17.599 -9.920 414 2HB TYR 53 HB1 TYR 53 8.770 -18.752 -9.032 415 HD1 TYR 53 HD1 TYR 53 8.105 -16.680 -11.340 416 HD2 TYR 53 HD2 TYR 53 7.460 -16.758 -7.134 417 HE1 TYR 53 HE1 TYR 53 6.157 -15.208 -11.616 418 HE2 TYR 53 HE2 TYR 53 5.510 -15.286 -7.401 419 HH TYR 53 HH TYR 53 4.889 -13.421 -9.546 420 H SER 54 HN SER 54 12.012 -18.311 -8.998 421 HA SER 54 HA SER 54 12.157 -20.952 -8.053 422 1HB SER 54 HB2 SER 54 14.393 -19.209 -9.124 423 2HB SER 54 HB1 SER 54 14.439 -20.966 -8.979 424 HG SER 54 HG SER 54 13.128 -19.363 -10.824 425 H LYS 55 HN LYS 55 13.835 -18.006 -6.982 426 HA LYS 55 HA LYS 55 15.431 -19.200 -4.999 427 1HB LYS 55 HB2 LYS 55 14.327 -16.382 -5.043 428 2HB LYS 55 HB1 LYS 55 15.693 -16.942 -4.088 429 1HG LYS 55 HG2 LYS 55 15.911 -17.408 -6.985 430 2HG LYS 55 HG1 LYS 55 15.903 -15.716 -6.481 431 1HD LYS 55 HD2 LYS 55 17.828 -15.978 -5.174 432 2HD LYS 55 HD1 LYS 55 17.676 -17.736 -5.145 433 1HE LYS 55 HE2 LYS 55 19.467 -17.199 -6.621 434 2HE LYS 55 HE1 LYS 55 18.107 -17.730 -7.609 435 1HZ LYS 55 HZ1 LYS 55 18.792 -14.887 -7.091 436 2HZ LYS 55 HZ3 LYS 55 19.240 -15.741 -8.482 437 3HZ LYS 55 HZ2 LYS 55 17.605 -15.465 -8.150 438 H SER 56 HN SER 56 12.256 -17.600 -4.763 439 HA SER 56 HA SER 56 11.911 -17.944 -1.998 440 1HB SER 56 HB2 SER 56 9.589 -17.376 -2.367 441 2HB SER 56 HB1 SER 56 10.600 -16.373 -3.406 442 HG SER 56 HG SER 56 9.228 -17.083 -4.861 443 H THR 57 HN THR 57 11.709 -20.320 -4.498 444 HA THR 57 HA THR 57 9.738 -22.015 -3.497 445 HB THR 57 HB THR 57 12.290 -22.855 -4.888 446 HG1 THR 57 HG1 THR 57 9.818 -21.962 -5.949 447 1HG2 THR 57 2HG2 THR 57 9.597 -24.178 -4.712 448 2HG2 THR 57 1HG2 THR 57 10.873 -24.652 -5.832 449 3HG2 THR 57 3HG2 THR 57 11.132 -24.787 -4.093 450 H ALA 58 HN ALA 58 13.268 -22.265 -2.969 451 HA ALA 58 HA ALA 58 12.821 -24.093 -0.754 452 1HB ALA 58 HB1 ALA 58 14.623 -24.564 -2.329 453 2HB ALA 58 HB3 ALA 58 15.397 -23.036 -1.912 454 3HB ALA 58 HB2 ALA 58 15.252 -24.311 -0.702 455 H ALA 59 HN ALA 59 14.142 -20.842 -1.280 456 HA ALA 59 HA ALA 59 14.970 -20.343 1.356 457 1HB ALA 59 HB1 ALA 59 15.076 -18.014 0.728 458 2HB ALA 59 HB2 ALA 59 14.068 -18.319 -0.686 459 3HB ALA 59 HB3 ALA 59 15.684 -19.018 -0.589 460 H MET 60 HN MET 60 12.072 -18.982 -0.248 461 HA MET 60 HA MET 60 10.928 -17.979 2.106 462 1HB MET 60 HB2 MET 60 10.252 -18.078 -0.660 463 2HB MET 60 HB1 MET 60 8.842 -18.569 0.267 464 1HG MET 60 HG2 MET 60 10.294 -16.162 1.189 465 2HG MET 60 HG1 MET 60 9.386 -16.034 -0.316 466 1HE MET 60 HE1 MET 60 9.570 -16.698 3.265 467 2HE MET 60 HE3 MET 60 8.665 -15.205 3.508 468 3HE MET 60 HE2 MET 60 7.926 -16.757 3.900 469 H SER 61 HN SER 61 11.034 -21.235 0.984 470 HA SER 61 HA SER 61 8.609 -22.177 2.108 471 1HB SER 61 HB2 SER 61 9.794 -23.493 0.448 472 2HB SER 61 HB1 SER 61 11.190 -23.644 1.513 473 HG SER 61 HG SER 61 10.220 -25.210 2.530 474 H THR 62 HN THR 62 11.571 -21.223 3.566 475 HA THR 62 HA THR 62 10.999 -22.710 6.022 476 HB THR 62 HB THR 62 13.221 -21.911 6.776 477 HG1 THR 62 HG1 THR 62 13.856 -20.162 5.800 478 1HG2 THR 62 3HG2 THR 62 13.062 -24.027 5.508 479 2HG2 THR 62 2HG2 THR 62 13.414 -23.125 4.033 480 3HG2 THR 62 1HG2 THR 62 14.611 -23.204 5.326 481 H TYR 63 HN TYR 63 11.652 -19.386 4.935 482 HA TYR 63 HA TYR 63 11.051 -18.136 7.377 483 1HB TYR 63 HB2 TYR 63 10.830 -16.906 4.626 484 2HB TYR 63 HB1 TYR 63 11.089 -16.066 6.151 485 HD1 TYR 63 HD1 TYR 63 13.261 -17.005 7.472 486 HD2 TYR 63 HD2 TYR 63 12.667 -17.133 3.261 487 HE1 TYR 63 HE1 TYR 63 15.692 -17.155 7.139 488 HE2 TYR 63 HE2 TYR 63 15.096 -17.286 2.916 489 HH TYR 63 HH TYR 63 17.170 -18.236 4.824 490 H THR 64 HN THR 64 9.026 -19.514 4.946 491 HA THR 64 HA THR 64 6.750 -17.867 5.412 492 HB THR 64 HB THR 64 7.196 -20.502 4.063 493 HG1 THR 64 HG1 THR 64 6.034 -18.038 3.269 494 1HG2 THR 64 2HG2 THR 64 4.505 -19.430 4.844 495 2HG2 THR 64 1HG2 THR 64 4.742 -20.484 3.450 496 3HG2 THR 64 3HG2 THR 64 5.150 -21.056 5.068 497 H GLY 65 HN GLY 65 7.466 -21.200 6.434 498 1HA GLY 65 HA1 GLY 65 6.766 -22.380 8.282 499 2HA GLY 65 HA2 GLY 65 5.345 -21.340 8.303 500 H ILE 66 HN ILE 66 8.715 -20.329 8.536 501 HA ILE 66 HA ILE 66 8.844 -20.058 11.348 502 HB ILE 66 HB ILE 66 10.440 -18.762 9.139 503 1HG1 ILE 66 2HG1 ILE 66 11.387 -20.735 11.209 504 2HG1 ILE 66 1HG1 ILE 66 10.598 -21.271 9.730 505 1HG2 ILE 66 1HG2 ILE 66 10.669 -18.405 12.113 506 2HG2 ILE 66 3HG2 ILE 66 12.049 -18.181 11.038 507 3HG2 ILE 66 2HG2 ILE 66 10.614 -17.172 10.853 508 1HD1 ILE 66 2HD1 ILE 66 12.422 -19.714 8.625 509 2HD1 ILE 66 1HD1 ILE 66 13.273 -20.066 10.128 510 3HD1 ILE 66 3HD1 ILE 66 12.766 -21.384 9.073 511 H PHE 67 HN PHE 67 8.503 -17.534 8.838 512 HA PHE 67 HA PHE 67 8.042 -15.358 10.481 513 1HB PHE 67 HB2 PHE 67 8.360 -15.140 8.063 514 2HB PHE 67 HB1 PHE 67 6.796 -15.896 7.776 515 HD1 PHE 67 HD1 PHE 67 4.784 -14.652 7.913 516 HD2 PHE 67 HD2 PHE 67 8.474 -12.893 9.100 517 HE1 PHE 67 HE1 PHE 67 3.702 -12.444 7.992 518 HE2 PHE 67 HE2 PHE 67 7.398 -10.682 9.181 519 HZ PHE 67 HZ PHE 67 5.009 -10.456 8.627 520 H THR 68 HN THR 68 5.524 -17.356 8.940 521 HA THR 68 HA THR 68 3.374 -16.181 10.321 522 HB THR 68 HB THR 68 3.421 -18.963 9.156 523 HG1 THR 68 HG1 THR 68 3.044 -16.468 7.861 524 1HG2 THR 68 3HG2 THR 68 1.219 -16.991 9.663 525 2HG2 THR 68 2HG2 THR 68 1.058 -18.330 8.527 526 3HG2 THR 68 1HG2 THR 68 1.361 -18.654 10.234 527 H ASP 69 HN ASP 69 5.689 -18.485 11.351 528 HA ASP 69 HA ASP 69 4.217 -19.994 13.189 529 1HB ASP 69 HB2 ASP 69 6.888 -19.829 12.489 530 2HB ASP 69 HB1 ASP 69 6.885 -19.301 14.167 531 H GLN 70 HN GLN 70 6.164 -17.076 13.868 532 HA GLN 70 HA GLN 70 5.142 -16.774 16.504 533 1HB GLN 70 HB2 GLN 70 7.344 -15.864 15.472 534 2HB GLN 70 HB1 GLN 70 6.348 -14.521 14.927 535 1HG GLN 70 HG2 GLN 70 5.867 -13.843 17.118 536 2HG GLN 70 HG1 GLN 70 6.419 -15.371 17.801 537 1HE2 GLN 70 1HE2 GLN 70 7.426 -12.350 16.342 538 2HE2 GLN 70 2HE2 GLN 70 9.057 -12.400 16.908 539 H VAL 71 HN VAL 71 4.032 -15.732 13.389 540 HA VAL 71 HA VAL 71 2.370 -13.586 14.240 541 HB VAL 71 HB VAL 71 2.150 -15.335 11.775 542 1HG1 VAL 71 1HG1 VAL 71 0.747 -12.774 12.514 543 2HG1 VAL 71 3HG1 VAL 71 0.819 -13.408 10.871 544 3HG1 VAL 71 2HG1 VAL 71 0.019 -14.336 12.139 545 1HG2 VAL 71 3HG2 VAL 71 4.214 -13.766 12.270 546 2HG2 VAL 71 2HG2 VAL 71 3.510 -13.875 10.657 547 3HG2 VAL 71 1HG2 VAL 71 3.103 -12.517 11.707 548 H LEU 72 HN LEU 72 1.709 -16.951 13.351 549 HA LEU 72 HA LEU 72 -0.990 -17.040 14.079 550 1HB LEU 72 HB2 LEU 72 0.507 -18.777 12.824 551 2HB LEU 72 HB1 LEU 72 0.829 -19.402 14.430 552 HG LEU 72 HG LEU 72 -1.716 -19.573 14.693 553 1HD1 LEU 72 3HD1 LEU 72 -1.540 -19.278 11.697 554 2HD1 LEU 72 2HD1 LEU 72 -2.961 -19.819 12.592 555 3HD1 LEU 72 1HD1 LEU 72 -2.351 -18.179 12.813 556 1HD2 LEU 72 2HD2 LEU 72 -0.292 -21.312 12.681 557 2HD2 LEU 72 1HD2 LEU 72 -0.261 -21.508 14.434 558 3HD2 LEU 72 3HD2 LEU 72 -1.769 -21.737 13.548 559 H SER 73 HN SER 73 1.982 -17.384 15.931 560 HA SER 73 HA SER 73 0.886 -18.386 18.310 561 1HB SER 73 HB2 SER 73 2.981 -18.156 19.148 562 2HB SER 73 HB1 SER 73 3.416 -17.720 17.499 563 HG SER 73 HG SER 73 3.487 -15.628 18.049 564 H VAL 74 HN VAL 74 1.094 -15.106 17.074 565 HA VAL 74 HA VAL 74 0.126 -13.861 19.461 566 HB VAL 74 HB VAL 74 -0.112 -12.700 16.687 567 1HG1 VAL 74 3HG1 VAL 74 -0.757 -11.747 19.256 568 2HG1 VAL 74 2HG1 VAL 74 0.680 -10.867 18.738 569 3HG1 VAL 74 1HG1 VAL 74 -0.769 -10.856 17.734 570 1HG2 VAL 74 2HG2 VAL 74 2.311 -13.268 18.259 571 2HG2 VAL 74 1HG2 VAL 74 2.114 -13.003 16.526 572 3HG2 VAL 74 3HG2 VAL 74 2.192 -11.627 17.625 573 H LEU 75 HN LEU 75 -1.362 -15.650 16.940 574 HA LEU 75 HA LEU 75 -3.924 -14.461 16.912 575 1HB LEU 75 HB2 LEU 75 -2.812 -16.279 15.357 576 2HB LEU 75 HB1 LEU 75 -3.580 -17.391 16.473 577 HG LEU 75 HG LEU 75 -5.748 -16.075 15.965 578 1HD1 LEU 75 1HD1 LEU 75 -4.536 -14.230 14.797 579 2HD1 LEU 75 3HD1 LEU 75 -4.183 -15.364 13.493 580 3HD1 LEU 75 2HD1 LEU 75 -5.854 -14.943 13.869 581 1HD2 LEU 75 1HD2 LEU 75 -4.448 -17.817 13.873 582 2HD2 LEU 75 3HD2 LEU 75 -5.364 -18.374 15.272 583 3HD2 LEU 75 2HD2 LEU 75 -6.173 -17.470 13.993 584 H LYS 76 HN LYS 76 -2.425 -16.913 18.884 585 HA LYS 76 HA LYS 76 -4.785 -17.676 20.301 586 1HB LYS 76 HB2 LYS 76 -2.427 -18.862 20.048 587 2HB LYS 76 HB1 LYS 76 -2.076 -17.973 21.524 588 1HG LYS 76 HG2 LYS 76 -3.992 -19.023 22.615 589 2HG LYS 76 HG1 LYS 76 -4.346 -19.914 21.134 590 1HD LYS 76 HD2 LYS 76 -2.104 -20.962 21.284 591 2HD LYS 76 HD1 LYS 76 -1.859 -20.141 22.827 592 1HE LYS 76 HE2 LYS 76 -4.267 -21.863 22.399 593 2HE LYS 76 HE1 LYS 76 -2.714 -22.596 22.793 594 1HZ LYS 76 HZ3 LYS 76 -2.630 -21.222 24.792 595 2HZ LYS 76 HZ2 LYS 76 -4.139 -20.556 24.417 596 3HZ LYS 76 HZ1 LYS 76 -4.009 -22.203 24.781 597 H GLY 77 HN GLY 77 -2.244 -15.279 20.792 598 1HA GLY 77 HA1 GLY 77 -1.973 -13.627 22.367 599 2HA GLY 77 HA2 GLY 77 -2.984 -14.570 23.451 600 H GLU 78 HN GLU 78 -3.077 -12.289 20.733 601 HA GLU 78 HA GLU 78 -5.887 -11.711 21.193 602 1HB GLU 78 HB2 GLU 78 -4.030 -10.307 22.669 603 2HB GLU 78 HB1 GLU 78 -4.317 -9.241 21.302 604 1HG GLU 78 HG2 GLU 78 -5.814 -8.630 23.044 605 2HG GLU 78 HG1 GLU 78 -6.753 -9.400 21.767 606 H GLU 79 HN GLU 79 -4.449 -12.706 18.901 607 HA GLU 79 HA GLU 79 -4.714 -10.432 17.041 608 1HB GLU 79 HB2 GLU 79 -2.435 -11.541 17.284 609 2HB GLU 79 HB1 GLU 79 -3.144 -12.951 16.517 610 1HG GLU 79 HG2 GLU 79 -3.826 -11.222 14.672 611 2HG GLU 79 HG1 GLU 79 -2.500 -10.288 15.366 No H/Q in entry = 611 Start of MODEL 47 1 H1 THR 1 HT1 THR 1 30.087 -14.386 40.228 2 H2 THR 1 HT3 THR 1 28.681 -14.128 41.173 3 H3 THR 1 HT2 THR 1 29.684 -15.485 41.483 4 HA THR 1 HA THR 1 29.137 -16.466 39.443 5 HB THR 1 HB THR 1 26.659 -15.405 40.826 6 HG1 THR 1 HG1 THR 1 27.559 -16.392 42.453 7 1HG2 THR 1 2HG2 THR 1 27.101 -17.935 39.261 8 2HG2 THR 1 1HG2 THR 1 25.686 -17.600 40.259 9 3HG2 THR 1 3HG2 THR 1 26.025 -16.600 38.847 10 H GLN 2 HN GLN 2 27.087 -13.546 39.781 11 HA GLN 2 HA GLN 2 26.939 -13.389 36.854 12 1HB GLN 2 HB2 GLN 2 24.845 -13.404 38.328 13 2HB GLN 2 HB1 GLN 2 25.303 -11.775 38.803 14 1HG GLN 2 HG2 GLN 2 23.678 -11.650 37.055 15 2HG GLN 2 HG1 GLN 2 25.232 -11.103 36.427 16 1HE2 GLN 2 1HE2 GLN 2 26.074 -12.093 34.685 17 2HE2 GLN 2 2HE2 GLN 2 25.390 -13.480 33.914 18 H GLN 3 HN GLN 3 27.987 -11.855 35.765 19 HA GLN 3 HA GLN 3 28.582 -9.287 36.930 20 1HB GLN 3 HB2 GLN 3 31.005 -9.424 36.678 21 2HB GLN 3 HB1 GLN 3 30.434 -10.641 37.808 22 1HG GLN 3 HG2 GLN 3 30.925 -11.280 34.921 23 2HG GLN 3 HG1 GLN 3 32.218 -11.317 36.117 24 1HE2 GLN 3 1HE2 GLN 3 29.908 -13.123 34.584 25 2HE2 GLN 3 2HE2 GLN 3 29.806 -14.445 35.692 26 HA PRO 4 HA PRO 4 28.319 -8.045 32.709 27 1HB PRO 4 HB2 PRO 4 29.812 -5.785 32.694 28 2HB PRO 4 HB1 PRO 4 28.237 -5.880 33.489 29 1HG PRO 4 HG2 PRO 4 30.977 -6.073 34.682 30 2HG PRO 4 HG1 PRO 4 29.556 -5.193 35.277 31 1HD PRO 4 HD2 PRO 4 30.314 -7.608 36.262 32 2HD PRO 4 HD1 PRO 4 28.621 -7.079 36.206 33 H GLN 5 HN GLN 5 29.534 -9.964 32.008 34 HA GLN 5 HA GLN 5 32.362 -9.844 31.638 35 1HB GLN 5 HB2 GLN 5 30.283 -11.665 30.407 36 2HB GLN 5 HB1 GLN 5 32.020 -11.880 30.240 37 1HG GLN 5 HG2 GLN 5 30.699 -11.776 32.928 38 2HG GLN 5 HG1 GLN 5 30.803 -13.269 31.998 39 1HE2 GLN 5 1HE2 GLN 5 32.650 -10.766 33.617 40 2HE2 GLN 5 2HE2 GLN 5 34.100 -11.689 33.795 41 H GLN 6 HN GLN 6 29.717 -9.907 29.228 42 HA GLN 6 HA GLN 6 31.363 -9.067 27.076 43 1HB GLN 6 HB2 GLN 6 28.404 -9.348 27.477 44 2HB GLN 6 HB1 GLN 6 29.024 -8.569 26.028 45 1HG GLN 6 HG2 GLN 6 28.695 -10.801 25.427 46 2HG GLN 6 HG1 GLN 6 30.432 -10.651 25.687 47 1HE2 GLN 6 1HE2 GLN 6 27.420 -11.759 27.139 48 2HE2 GLN 6 2HE2 GLN 6 28.142 -12.930 28.181 49 H ASP 7 HN ASP 7 32.273 -7.192 28.494 50 HA ASP 7 HA ASP 7 30.679 -4.852 28.795 51 1HB ASP 7 HB2 ASP 7 32.782 -3.725 29.372 52 2HB ASP 7 HB1 ASP 7 32.625 -5.256 30.226 53 H GLU 8 HN GLU 8 32.954 -5.974 26.353 54 HA GLU 8 HA GLU 8 33.006 -3.558 24.851 55 1HB GLU 8 HB2 GLU 8 34.774 -5.290 24.721 56 2HB GLU 8 HB1 GLU 8 33.630 -6.377 23.944 57 1HG GLU 8 HG2 GLU 8 34.091 -3.711 22.717 58 2HG GLU 8 HG1 GLU 8 35.347 -4.937 22.559 59 H MET 9 HN MET 9 31.269 -6.642 24.414 60 HA MET 9 HA MET 9 29.847 -5.803 22.105 61 1HB MET 9 HB2 MET 9 30.288 -8.193 22.872 62 2HB MET 9 HB1 MET 9 28.975 -7.966 24.019 63 1HG MET 9 HG2 MET 9 28.350 -7.275 21.231 64 2HG MET 9 HG1 MET 9 28.677 -8.979 21.540 65 1HE MET 9 HE2 MET 9 27.651 -10.352 23.196 66 2HE MET 9 HE1 MET 9 27.175 -9.447 24.633 67 3HE MET 9 HE3 MET 9 25.952 -10.264 23.659 68 HA PRO 10 HA PRO 10 26.865 -3.371 24.445 69 1HB PRO 10 HB2 PRO 10 25.950 -1.914 22.402 70 2HB PRO 10 HB1 PRO 10 27.568 -1.648 23.062 71 1HG PRO 10 HG2 PRO 10 26.746 -3.104 20.585 72 2HG PRO 10 HG1 PRO 10 28.130 -2.028 20.847 73 1HD PRO 10 HD2 PRO 10 28.233 -4.800 20.890 74 2HD PRO 10 HD1 PRO 10 29.433 -3.724 21.628 75 H SER 11 HN SER 11 24.496 -2.953 24.256 76 HA SER 11 HA SER 11 23.102 -5.374 23.658 77 1HB SER 11 HB2 SER 11 22.527 -3.790 25.539 78 2HB SER 11 HB1 SER 11 21.877 -2.690 24.324 79 HG SER 11 HG SER 11 20.942 -5.222 25.119 80 HA PRO 12 HA PRO 12 22.175 -4.445 19.404 81 1HB PRO 12 HB2 PRO 12 20.329 -6.390 18.984 82 2HB PRO 12 HB1 PRO 12 22.063 -6.718 19.084 83 1HG PRO 12 HG2 PRO 12 19.950 -7.043 21.178 84 2HG PRO 12 HG1 PRO 12 21.286 -8.132 20.759 85 1HD PRO 12 HD2 PRO 12 21.375 -6.454 22.886 86 2HD PRO 12 HD1 PRO 12 22.823 -6.915 21.968 87 H THR 13 HN THR 13 21.182 -2.423 19.618 88 HA THR 13 HA THR 13 18.511 -2.097 20.568 89 HB THR 13 HB THR 13 18.696 0.201 19.751 90 HG1 THR 13 HG1 THR 13 21.191 -0.567 18.640 91 1HG2 THR 13 2HG2 THR 13 19.883 -0.454 21.862 92 2HG2 THR 13 1HG2 THR 13 21.365 -0.535 20.909 93 3HG2 THR 13 3HG2 THR 13 20.493 0.991 21.055 94 H PHE 14 HN PHE 14 16.627 -1.613 19.401 95 HA PHE 14 HA PHE 14 16.617 -2.690 16.666 96 1HB PHE 14 HB2 PHE 14 15.149 -3.769 18.402 97 2HB PHE 14 HB1 PHE 14 14.241 -2.264 18.491 98 HD1 PHE 14 HD1 PHE 14 15.063 -5.160 16.393 99 HD2 PHE 14 HD2 PHE 14 12.713 -1.630 16.760 100 HE1 PHE 14 HE1 PHE 14 13.660 -5.902 14.513 101 HE2 PHE 14 HE2 PHE 14 11.306 -2.368 14.882 102 HZ PHE 14 HZ PHE 14 11.778 -4.507 13.756 103 H LEU 15 HN LEU 15 14.737 -0.252 18.493 104 HA LEU 15 HA LEU 15 13.971 1.225 16.223 105 1HB LEU 15 HB2 LEU 15 13.036 1.243 18.647 106 2HB LEU 15 HB1 LEU 15 14.259 2.465 18.938 107 HG LEU 15 HG LEU 15 12.530 2.930 16.587 108 1HD1 LEU 15 1HD1 LEU 15 10.901 2.035 18.166 109 2HD1 LEU 15 3HD1 LEU 15 11.457 3.173 19.394 110 3HD1 LEU 15 2HD1 LEU 15 10.675 3.768 17.930 111 1HD2 LEU 15 2HD2 LEU 15 13.476 4.658 18.872 112 2HD2 LEU 15 1HD2 LEU 15 14.226 4.533 17.282 113 3HD2 LEU 15 3HD2 LEU 15 12.612 5.223 17.443 114 H THR 16 HN THR 16 16.570 1.783 18.594 115 HA THR 16 HA THR 16 17.576 4.159 17.527 116 HB THR 16 HB THR 16 19.247 2.010 18.838 117 HG1 THR 16 HG1 THR 16 17.556 3.945 20.035 118 1HG2 THR 16 3HG2 THR 16 19.488 5.008 18.831 119 2HG2 THR 16 2HG2 THR 16 20.459 3.912 19.814 120 3HG2 THR 16 1HG2 THR 16 20.575 3.856 18.055 121 H GLN 17 HN GLN 17 18.283 0.792 16.693 122 HA GLN 17 HA GLN 17 20.441 1.263 14.958 123 1HB GLN 17 HB2 GLN 17 19.716 -0.961 15.897 124 2HB GLN 17 HB1 GLN 17 18.418 -0.966 14.713 125 1HG GLN 17 HG2 GLN 17 20.426 -0.577 13.041 126 2HG GLN 17 HG1 GLN 17 21.337 -1.344 14.341 127 1HE2 GLN 17 1HE2 GLN 17 20.558 -3.449 15.088 128 2HE2 GLN 17 2HE2 GLN 17 19.814 -4.513 13.948 129 H VAL 18 HN VAL 18 16.970 0.879 14.270 130 HA VAL 18 HA VAL 18 16.638 0.924 11.653 131 HB VAL 18 HB VAL 18 15.243 2.870 13.496 132 1HG1 VAL 18 2HG1 VAL 18 14.648 2.003 10.683 133 2HG1 VAL 18 1HG1 VAL 18 13.385 2.601 11.759 134 3HG1 VAL 18 3HG1 VAL 18 14.749 3.637 11.338 135 1HG2 VAL 18 2HG2 VAL 18 14.986 -0.023 12.984 136 2HG2 VAL 18 1HG2 VAL 18 14.581 0.919 14.418 137 3HG2 VAL 18 3HG2 VAL 18 13.475 0.885 13.046 138 H LYS 19 HN LYS 19 17.363 3.972 13.379 139 HA LYS 19 HA LYS 19 17.438 5.686 11.223 140 1HB LYS 19 HB2 LYS 19 18.207 5.780 13.951 141 2HB LYS 19 HB1 LYS 19 19.552 6.415 13.011 142 1HG LYS 19 HG2 LYS 19 18.242 8.277 13.528 143 2HG LYS 19 HG1 LYS 19 17.839 7.896 11.852 144 1HD LYS 19 HD2 LYS 19 15.883 6.567 12.781 145 2HD LYS 19 HD1 LYS 19 16.224 7.339 14.331 146 1HE LYS 19 HE2 LYS 19 15.843 9.517 13.395 147 2HE LYS 19 HE1 LYS 19 15.703 8.844 11.772 148 1HZ LYS 19 HZ1 LYS 19 13.842 8.313 14.027 149 2HZ LYS 19 HZ3 LYS 19 13.537 9.340 12.718 150 3HZ LYS 19 HZ2 LYS 19 13.704 7.676 12.466 151 H GLU 20 HN GLU 20 20.229 3.949 12.604 152 HA GLU 20 HA GLU 20 22.067 4.788 10.636 153 1HB GLU 20 HB2 GLU 20 22.098 2.366 12.442 154 2HB GLU 20 HB1 GLU 20 23.455 2.868 11.445 155 1HG GLU 20 HG2 GLU 20 24.045 3.809 13.430 156 2HG GLU 20 HG1 GLU 20 23.138 5.142 12.717 157 H SER 21 HN SER 21 19.759 2.192 10.766 158 HA SER 21 HA SER 21 20.764 0.576 8.684 159 1HB SER 21 HB2 SER 21 17.842 0.912 9.388 160 2HB SER 21 HB1 SER 21 18.619 -0.493 8.663 161 HG SER 21 HG SER 21 18.159 -0.503 11.034 162 H LEU 22 HN LEU 22 18.530 3.323 8.691 163 HA LEU 22 HA LEU 22 17.935 3.207 5.907 164 1HB LEU 22 HB2 LEU 22 17.695 5.521 7.834 165 2HB LEU 22 HB1 LEU 22 16.973 5.447 6.238 166 HG LEU 22 HG LEU 22 16.251 3.237 8.063 167 1HD1 LEU 22 2HD1 LEU 22 16.262 5.123 9.617 168 2HD1 LEU 22 1HD1 LEU 22 15.233 6.039 8.517 169 3HD1 LEU 22 3HD1 LEU 22 14.619 4.574 9.282 170 1HD2 LEU 22 1HD2 LEU 22 15.310 3.476 5.812 171 2HD2 LEU 22 3HD2 LEU 22 14.066 3.586 7.057 172 3HD2 LEU 22 2HD2 LEU 22 14.647 5.047 6.260 173 H SER 23 HN SER 23 20.214 5.114 7.858 174 HA SER 23 HA SER 23 21.194 6.752 5.813 175 1HB SER 23 HB2 SER 23 21.648 7.114 8.231 176 2HB SER 23 HB1 SER 23 22.726 5.719 8.214 177 HG SER 23 HG SER 23 24.199 6.849 7.175 178 H SER 24 HN SER 24 22.473 3.658 7.031 179 HA SER 24 HA SER 24 24.578 3.454 5.163 180 1HB SER 24 HB2 SER 24 23.121 1.285 6.693 181 2HB SER 24 HB1 SER 24 24.631 1.053 5.810 182 HG SER 24 HG SER 24 24.154 2.351 8.223 183 H TYR 25 HN TYR 25 21.188 2.983 4.829 184 HA TYR 25 HA TYR 25 21.360 1.187 2.576 185 1HB TYR 25 HB2 TYR 25 19.400 1.031 3.978 186 2HB TYR 25 HB1 TYR 25 19.050 2.741 3.763 187 HD1 TYR 25 HD1 TYR 25 17.870 3.525 1.841 188 HD2 TYR 25 HD2 TYR 25 19.075 -0.548 2.085 189 HE1 TYR 25 HE1 TYR 25 16.446 2.995 -0.091 190 HE2 TYR 25 HE2 TYR 25 17.654 -1.089 0.153 191 HH TYR 25 HH TYR 25 16.676 0.719 -1.977 192 H TRP 26 HN TRP 26 20.675 4.636 3.098 193 HA TRP 26 HA TRP 26 20.198 5.299 0.403 194 1HB TRP 26 HB2 TRP 26 19.689 6.686 2.499 195 2HB TRP 26 HB1 TRP 26 21.373 7.198 2.427 196 HD1 TRP 26 HD1 TRP 26 21.610 9.468 1.290 197 HE1 TRP 26 HE1 TRP 26 20.403 10.732 -0.600 198 HE3 TRP 26 HE3 TRP 26 18.094 5.958 0.076 199 HZ2 TRP 26 HZ2 TRP 26 18.249 10.298 -2.371 200 HZ3 TRP 26 HZ3 TRP 26 16.499 6.461 -1.727 201 HH2 TRP 26 HH2 TRP 26 16.576 8.587 -2.925 202 H GLU 27 HN GLU 27 23.145 5.081 2.292 203 HA GLU 27 HA GLU 27 25.033 6.406 0.882 204 1HB GLU 27 HB2 GLU 27 25.010 4.023 2.560 205 2HB GLU 27 HB1 GLU 27 26.290 3.972 1.357 206 1HG GLU 27 HG2 GLU 27 27.289 4.966 3.199 207 2HG GLU 27 HG1 GLU 27 26.885 6.325 2.152 208 H SER 28 HN SER 28 24.118 3.033 0.182 209 HA SER 28 HA SER 28 25.293 3.270 -2.483 210 1HB SER 28 HB2 SER 28 25.633 1.274 -0.840 211 2HB SER 28 HB1 SER 28 24.045 0.759 -1.409 212 HG SER 28 HG SER 28 24.842 0.417 -3.385 213 H ALA 29 HN ALA 29 22.301 3.811 -1.088 214 HA ALA 29 HA ALA 29 20.509 2.580 -2.868 215 1HB ALA 29 HB1 ALA 29 19.753 3.576 -0.791 216 2HB ALA 29 HB2 ALA 29 18.890 4.283 -2.155 217 3HB ALA 29 HB3 ALA 29 20.192 5.180 -1.376 218 H LYS 30 HN LYS 30 22.345 5.582 -3.142 219 HA LYS 30 HA LYS 30 21.028 6.792 -5.253 220 1HB LYS 30 HB2 LYS 30 23.012 7.670 -3.900 221 2HB LYS 30 HB1 LYS 30 24.031 6.766 -5.011 222 1HG LYS 30 HG2 LYS 30 23.019 8.051 -6.885 223 2HG LYS 30 HG1 LYS 30 22.170 9.032 -5.689 224 1HD LYS 30 HD2 LYS 30 25.133 8.702 -5.490 225 2HD LYS 30 HD1 LYS 30 24.462 9.831 -6.669 226 1HE LYS 30 HE2 LYS 30 23.274 11.003 -4.899 227 2HE LYS 30 HE1 LYS 30 23.876 9.849 -3.710 228 1HZ LYS 30 HZ1 LYS 30 26.130 10.590 -4.194 229 2HZ LYS 30 HZ3 LYS 30 25.543 11.706 -5.322 230 3HZ LYS 30 HZ2 LYS 30 25.167 11.883 -3.682 231 H THR 31 HN THR 31 23.679 4.425 -5.457 232 HA THR 31 HA THR 31 23.972 4.238 -8.188 233 HB THR 31 HB THR 31 23.968 1.812 -6.386 234 HG1 THR 31 HG1 THR 31 25.400 2.837 -5.256 235 1HG2 THR 31 2HG2 THR 31 25.671 2.539 -8.758 236 2HG2 THR 31 1HG2 THR 31 25.856 1.098 -7.757 237 3HG2 THR 31 3HG2 THR 31 24.394 1.324 -8.717 238 H ALA 32 HN ALA 32 21.547 2.791 -6.090 239 HA ALA 32 HA ALA 32 20.268 1.177 -8.022 240 1HB ALA 32 HB2 ALA 32 18.696 2.424 -5.816 241 2HB ALA 32 HB1 ALA 32 18.660 0.772 -6.433 242 3HB ALA 32 HB3 ALA 32 19.995 1.302 -5.411 243 H ALA 33 HN ALA 33 19.685 4.524 -6.946 244 HA ALA 33 HA ALA 33 17.413 5.128 -8.380 245 1HB ALA 33 HB2 ALA 33 18.691 6.606 -6.748 246 2HB ALA 33 HB1 ALA 33 19.681 7.079 -8.129 247 3HB ALA 33 HB3 ALA 33 17.948 7.404 -8.134 248 H GLN 34 HN GLN 34 20.762 5.522 -9.522 249 HA GLN 34 HA GLN 34 20.036 6.285 -12.146 250 1HB GLN 34 HB2 GLN 34 22.587 5.001 -11.137 251 2HB GLN 34 HB1 GLN 34 22.388 5.723 -12.728 252 1HG GLN 34 HG2 GLN 34 22.696 7.788 -11.954 253 2HG GLN 34 HG1 GLN 34 21.653 7.521 -10.558 254 1HE2 GLN 34 1HE2 GLN 34 24.894 7.486 -11.765 255 2HE2 GLN 34 2HE2 GLN 34 25.678 7.227 -10.248 256 H ASN 35 HN ASN 35 20.674 3.189 -10.602 257 HA ASN 35 HA ASN 35 20.673 1.586 -12.919 258 1HB ASN 35 HB2 ASN 35 21.370 0.943 -10.525 259 2HB ASN 35 HB1 ASN 35 19.659 0.635 -10.248 260 1HD2 ASN 35 1HD2 ASN 35 22.499 -0.346 -12.029 261 2HD2 ASN 35 2HD2 ASN 35 21.906 -1.901 -12.494 262 H LEU 36 HN LEU 36 18.099 3.026 -11.109 263 HA LEU 36 HA LEU 36 15.932 1.436 -11.870 264 1HB LEU 36 HB2 LEU 36 16.028 3.455 -10.234 265 2HB LEU 36 HB1 LEU 36 15.753 4.433 -11.664 266 HG LEU 36 HG LEU 36 13.696 2.873 -12.026 267 1HD1 LEU 36 3HD1 LEU 36 14.232 2.504 -9.083 268 2HD1 LEU 36 2HD1 LEU 36 12.723 2.093 -9.899 269 3HD1 LEU 36 1HD1 LEU 36 14.214 1.246 -10.319 270 1HD2 LEU 36 1HD2 LEU 36 13.791 4.961 -9.851 271 2HD2 LEU 36 3HD2 LEU 36 13.534 5.249 -11.572 272 3HD2 LEU 36 2HD2 LEU 36 12.326 4.370 -10.637 273 H TYR 37 HN TYR 37 17.464 4.234 -13.342 274 HA TYR 37 HA TYR 37 15.861 4.338 -15.677 275 1HB TYR 37 HB2 TYR 37 18.114 5.752 -14.619 276 2HB TYR 37 HB1 TYR 37 18.489 5.274 -16.271 277 HD1 TYR 37 HD1 TYR 37 16.453 5.692 -17.970 278 HD2 TYR 37 HD2 TYR 37 17.084 7.793 -14.326 279 HE1 TYR 37 HE1 TYR 37 15.105 7.562 -18.823 280 HE2 TYR 37 HE2 TYR 37 15.737 9.669 -15.167 281 HH TYR 37 HH TYR 37 15.164 10.445 -17.902 282 H GLU 38 HN GLU 38 18.820 2.646 -14.799 283 HA GLU 38 HA GLU 38 19.571 1.672 -17.309 284 1HB GLU 38 HB2 GLU 38 21.050 1.524 -15.385 285 2HB GLU 38 HB1 GLU 38 19.947 0.415 -14.588 286 1HG GLU 38 HG2 GLU 38 21.070 -0.311 -17.250 287 2HG GLU 38 HG1 GLU 38 22.075 -0.465 -15.810 288 H LYS 39 HN LYS 39 17.748 -0.073 -14.801 289 HA LYS 39 HA LYS 39 17.122 -2.294 -16.387 290 1HB LYS 39 HB2 LYS 39 15.429 -2.814 -14.671 291 2HB LYS 39 HB1 LYS 39 16.989 -2.401 -13.977 292 1HG LYS 39 HG2 LYS 39 16.197 -0.202 -13.389 293 2HG LYS 39 HG1 LYS 39 14.661 -0.505 -14.200 294 1HD LYS 39 HD2 LYS 39 14.296 -0.815 -11.869 295 2HD LYS 39 HD1 LYS 39 14.310 -2.417 -12.609 296 1HE LYS 39 HE2 LYS 39 15.608 -2.666 -10.682 297 2HE LYS 39 HE1 LYS 39 16.791 -2.482 -11.976 298 1HZ LYS 39 HZ1 LYS 39 15.875 -0.181 -10.354 299 2HZ LYS 39 HZ3 LYS 39 17.171 -1.155 -9.872 300 3HZ LYS 39 HZ2 LYS 39 17.254 -0.298 -11.326 301 H THR 40 HN THR 40 15.930 0.858 -16.711 302 HA THR 40 HA THR 40 13.239 0.280 -17.429 303 HB THR 40 HB THR 40 14.968 2.605 -18.298 304 HG1 THR 40 HG1 THR 40 14.215 3.638 -16.515 305 1HG2 THR 40 2HG2 THR 40 11.985 2.253 -18.304 306 2HG2 THR 40 1HG2 THR 40 12.794 3.815 -18.441 307 3HG2 THR 40 3HG2 THR 40 13.040 2.584 -19.679 308 H TYR 41 HN TYR 41 16.131 0.917 -19.361 309 HA TYR 41 HA TYR 41 14.958 0.329 -21.868 310 1HB TYR 41 HB2 TYR 41 17.898 0.053 -21.266 311 2HB TYR 41 HB1 TYR 41 17.135 0.501 -22.786 312 HD1 TYR 41 HD1 TYR 41 18.771 1.712 -19.907 313 HD2 TYR 41 HD2 TYR 41 15.760 2.740 -22.733 314 HE1 TYR 41 HE1 TYR 41 19.049 4.086 -19.331 315 HE2 TYR 41 HE2 TYR 41 16.031 5.117 -22.165 316 HH TYR 41 HH TYR 41 16.881 6.428 -20.070 317 H LEU 42 HN LEU 42 16.857 -1.630 -19.599 318 HA LEU 42 HA LEU 42 16.957 -3.935 -21.273 319 1HB LEU 42 HB2 LEU 42 17.614 -3.352 -18.418 320 2HB LEU 42 HB1 LEU 42 17.498 -5.022 -18.936 321 HG LEU 42 HG LEU 42 19.807 -4.286 -18.980 322 1HD1 LEU 42 2HD1 LEU 42 18.935 -5.871 -20.712 323 2HD1 LEU 42 1HD1 LEU 42 18.833 -4.501 -21.818 324 3HD1 LEU 42 3HD1 LEU 42 20.396 -4.995 -21.167 325 1HD2 LEU 42 1HD2 LEU 42 19.250 -1.864 -19.354 326 2HD2 LEU 42 3HD2 LEU 42 20.601 -2.482 -20.304 327 3HD2 LEU 42 2HD2 LEU 42 19.023 -2.254 -21.059 328 HA PRO 43 HA PRO 43 13.009 -5.680 -20.173 329 1HB PRO 43 HB2 PRO 43 13.186 -7.949 -21.553 330 2HB PRO 43 HB1 PRO 43 13.170 -6.387 -22.379 331 1HG PRO 43 HG2 PRO 43 15.452 -8.225 -21.849 332 2HG PRO 43 HG1 PRO 43 15.155 -7.174 -23.242 333 1HD PRO 43 HD2 PRO 43 16.824 -6.619 -21.030 334 2HD PRO 43 HD1 PRO 43 16.317 -5.477 -22.289 335 H ALA 44 HN ALA 44 15.399 -6.186 -18.315 336 HA ALA 44 HA ALA 44 15.374 -8.886 -17.487 337 1HB ALA 44 HB1 ALA 44 16.181 -6.376 -16.031 338 2HB ALA 44 HB3 ALA 44 16.443 -8.008 -15.415 339 3HB ALA 44 HB2 ALA 44 17.226 -7.493 -16.909 340 H VAL 45 HN VAL 45 13.081 -6.391 -17.012 341 HA VAL 45 HA VAL 45 12.025 -6.777 -14.529 342 HB VAL 45 HB VAL 45 9.779 -6.198 -15.524 343 1HG1 VAL 45 2HG1 VAL 45 11.421 -4.537 -14.698 344 2HG1 VAL 45 1HG1 VAL 45 12.057 -4.400 -16.337 345 3HG1 VAL 45 3HG1 VAL 45 10.395 -3.923 -15.995 346 1HG2 VAL 45 3HG2 VAL 45 11.383 -6.429 -18.045 347 2HG2 VAL 45 2HG2 VAL 45 9.765 -7.032 -17.693 348 3HG2 VAL 45 1HG2 VAL 45 10.027 -5.306 -17.942 349 H ASP 46 HN ASP 46 11.143 -8.651 -17.442 350 HA ASP 46 HA ASP 46 9.353 -10.368 -16.045 351 1HB ASP 46 HB2 ASP 46 9.402 -9.883 -18.555 352 2HB ASP 46 HB1 ASP 46 10.731 -11.035 -18.643 353 H GLU 47 HN GLU 47 12.799 -10.450 -16.689 354 HA GLU 47 HA GLU 47 13.211 -13.205 -16.114 355 1HB GLU 47 HB2 GLU 47 14.980 -12.235 -17.270 356 2HB GLU 47 HB1 GLU 47 14.972 -10.787 -16.278 357 1HG GLU 47 HG2 GLU 47 15.690 -13.330 -14.943 358 2HG GLU 47 HG1 GLU 47 16.847 -12.664 -16.094 359 H LYS 48 HN LYS 48 13.279 -10.274 -14.128 360 HA LYS 48 HA LYS 48 14.251 -11.401 -11.757 361 1HB LYS 48 HB2 LYS 48 12.751 -8.950 -12.484 362 2HB LYS 48 HB1 LYS 48 12.689 -9.435 -10.795 363 1HG LYS 48 HG2 LYS 48 14.517 -8.086 -10.745 364 2HG LYS 48 HG1 LYS 48 15.298 -9.627 -11.106 365 1HD LYS 48 HD2 LYS 48 15.385 -9.084 -13.455 366 2HD LYS 48 HD1 LYS 48 14.460 -7.605 -13.183 367 1HE LYS 48 HE2 LYS 48 16.633 -6.821 -13.307 368 2HE LYS 48 HE1 LYS 48 16.387 -6.988 -11.569 369 1HZ LYS 48 HZ1 LYS 48 17.749 -8.977 -13.306 370 2HZ LYS 48 HZ3 LYS 48 18.526 -7.881 -12.279 371 3HZ LYS 48 HZ2 LYS 48 17.545 -9.097 -11.632 372 H LEU 49 HN LEU 49 11.085 -11.578 -13.203 373 HA LEU 49 HA LEU 49 9.576 -12.198 -10.901 374 1HB LEU 49 HB2 LEU 49 9.216 -12.436 -13.823 375 2HB LEU 49 HB1 LEU 49 8.286 -13.571 -12.864 376 HG LEU 49 HG LEU 49 7.540 -11.454 -11.538 377 1HD1 LEU 49 2HD1 LEU 49 8.413 -10.241 -14.158 378 2HD1 LEU 49 1HD1 LEU 49 7.435 -9.440 -12.928 379 3HD1 LEU 49 3HD1 LEU 49 9.099 -9.901 -12.569 380 1HD2 LEU 49 2HD2 LEU 49 6.079 -12.876 -12.903 381 2HD2 LEU 49 1HD2 LEU 49 5.658 -11.170 -13.048 382 3HD2 LEU 49 3HD2 LEU 49 6.551 -11.972 -14.341 383 H ARG 50 HN ARG 50 10.716 -14.410 -13.461 384 HA ARG 50 HA ARG 50 10.311 -16.759 -11.951 385 1HB ARG 50 HB2 ARG 50 11.482 -16.049 -14.533 386 2HB ARG 50 HB1 ARG 50 12.321 -17.385 -13.756 387 1HG ARG 50 HG2 ARG 50 10.698 -18.422 -15.051 388 2HG ARG 50 HG1 ARG 50 9.996 -18.409 -13.432 389 1HD ARG 50 HD2 ARG 50 9.122 -16.028 -14.448 390 2HD ARG 50 HD1 ARG 50 9.127 -17.054 -15.881 391 HE ARG 50 HE ARG 50 7.488 -18.407 -14.908 392 1HH1 ARG 50 1HH1 ARG 50 8.401 -15.793 -12.757 393 2HH1 ARG 50 2HH1 ARG 50 7.019 -15.990 -11.736 394 1HH2 ARG 50 1HH2 ARG 50 5.673 -18.656 -13.557 395 2HH2 ARG 50 2HH2 ARG 50 5.471 -17.613 -12.189 396 H ASP 51 HN ASP 51 12.990 -14.509 -12.224 397 HA ASP 51 HA ASP 51 15.051 -16.030 -11.122 398 1HB ASP 51 HB2 ASP 51 15.306 -13.763 -12.147 399 2HB ASP 51 HB1 ASP 51 14.600 -13.069 -10.691 400 H LEU 52 HN LEU 52 12.909 -13.739 -9.420 401 HA LEU 52 HA LEU 52 13.771 -14.467 -6.829 402 1HB LEU 52 HB2 LEU 52 12.459 -12.374 -7.682 403 2HB LEU 52 HB1 LEU 52 11.042 -13.355 -7.357 404 HG LEU 52 HG LEU 52 12.041 -13.650 -4.993 405 1HD1 LEU 52 2HD1 LEU 52 13.559 -11.217 -5.926 406 2HD1 LEU 52 1HD1 LEU 52 13.443 -11.776 -4.257 407 3HD1 LEU 52 3HD1 LEU 52 14.253 -12.772 -5.467 408 1HD2 LEU 52 3HD2 LEU 52 10.021 -12.372 -5.483 409 2HD2 LEU 52 2HD2 LEU 52 10.989 -11.578 -4.242 410 3HD2 LEU 52 1HD2 LEU 52 11.001 -10.966 -5.896 411 H TYR 53 HN TYR 53 11.463 -15.882 -9.010 412 HA TYR 53 HA TYR 53 9.888 -17.271 -7.106 413 1HB TYR 53 HB2 TYR 53 10.255 -17.327 -10.039 414 2HB TYR 53 HB1 TYR 53 9.695 -18.834 -9.324 415 HD1 TYR 53 HD1 TYR 53 7.439 -19.049 -9.777 416 HD2 TYR 53 HD2 TYR 53 8.921 -15.263 -8.520 417 HE1 TYR 53 HE1 TYR 53 5.142 -18.173 -9.724 418 HE2 TYR 53 HE2 TYR 53 6.629 -14.377 -8.464 419 HH TYR 53 HH TYR 53 4.098 -15.835 -8.179 420 H SER 54 HN SER 54 12.803 -18.144 -8.934 421 HA SER 54 HA SER 54 12.962 -20.833 -8.138 422 1HB SER 54 HB2 SER 54 14.298 -19.775 -9.982 423 2HB SER 54 HB1 SER 54 15.292 -18.999 -8.750 424 HG SER 54 HG SER 54 16.380 -20.816 -9.112 425 H LYS 55 HN LYS 55 14.612 -17.962 -6.796 426 HA LYS 55 HA LYS 55 15.830 -19.282 -4.629 427 1HB LYS 55 HB2 LYS 55 15.061 -16.395 -5.056 428 2HB LYS 55 HB1 LYS 55 15.919 -16.944 -3.623 429 1HG LYS 55 HG2 LYS 55 17.835 -16.759 -4.707 430 2HG LYS 55 HG1 LYS 55 17.294 -17.966 -5.874 431 1HD LYS 55 HD2 LYS 55 15.985 -15.871 -6.854 432 2HD LYS 55 HD1 LYS 55 17.298 -15.000 -6.060 433 1HE LYS 55 HE2 LYS 55 18.103 -15.363 -8.216 434 2HE LYS 55 HE1 LYS 55 18.854 -16.646 -7.270 435 1HZ LYS 55 HZ1 LYS 55 16.416 -16.948 -8.942 436 2HZ LYS 55 HZ3 LYS 55 17.970 -17.465 -9.371 437 3HZ LYS 55 HZ2 LYS 55 17.172 -18.180 -8.062 438 H SER 56 HN SER 56 12.696 -17.669 -4.944 439 HA SER 56 HA SER 56 11.929 -17.750 -2.244 440 1HB SER 56 HB2 SER 56 10.802 -16.357 -3.917 441 2HB SER 56 HB1 SER 56 10.182 -17.801 -4.715 442 HG SER 56 HG SER 56 8.703 -17.998 -3.216 443 H THR 57 HN THR 57 12.084 -20.346 -4.553 444 HA THR 57 HA THR 57 10.050 -22.011 -3.626 445 HB THR 57 HB THR 57 12.750 -22.899 -4.662 446 HG1 THR 57 HG1 THR 57 10.412 -22.116 -6.064 447 1HG2 THR 57 3HG2 THR 57 10.058 -24.238 -4.725 448 2HG2 THR 57 2HG2 THR 57 11.478 -24.783 -5.618 449 3HG2 THR 57 1HG2 THR 57 11.494 -24.775 -3.855 450 H ALA 58 HN ALA 58 13.503 -22.047 -2.689 451 HA ALA 58 HA ALA 58 12.900 -23.770 -0.427 452 1HB ALA 58 HB1 ALA 58 14.894 -24.217 -1.752 453 2HB ALA 58 HB3 ALA 58 15.530 -22.621 -1.351 454 3HB ALA 58 HB2 ALA 58 15.317 -23.830 -0.084 455 H ALA 59 HN ALA 59 14.033 -20.454 -0.996 456 HA ALA 59 HA ALA 59 14.562 -19.773 1.676 457 1HB ALA 59 HB3 ALA 59 14.515 -17.466 0.940 458 2HB ALA 59 HB1 ALA 59 13.701 -17.935 -0.553 459 3HB ALA 59 HB2 ALA 59 15.354 -18.469 -0.244 460 H MET 60 HN MET 60 11.685 -18.894 -0.271 461 HA MET 60 HA MET 60 10.237 -17.801 1.870 462 1HB MET 60 HB2 MET 60 9.848 -17.693 -0.720 463 2HB MET 60 HB1 MET 60 8.820 -19.088 -0.427 464 1HG MET 60 HG2 MET 60 7.229 -17.551 -0.115 465 2HG MET 60 HG1 MET 60 7.936 -17.408 1.493 466 1HE MET 60 HE1 MET 60 7.340 -16.084 -1.895 467 2HE MET 60 HE3 MET 60 6.411 -14.968 -0.895 468 3HE MET 60 HE2 MET 60 7.784 -14.378 -1.833 469 H SER 61 HN SER 61 10.634 -21.131 0.866 470 HA SER 61 HA SER 61 8.351 -22.189 2.168 471 1HB SER 61 HB2 SER 61 9.654 -23.400 0.425 472 2HB SER 61 HB1 SER 61 10.965 -23.600 1.587 473 HG SER 61 HG SER 61 8.485 -24.856 1.457 474 H THR 62 HN THR 62 11.265 -20.934 3.417 475 HA THR 62 HA THR 62 10.986 -22.397 5.943 476 HB THR 62 HB THR 62 13.197 -20.490 5.163 477 HG1 THR 62 HG1 THR 62 13.580 -22.026 3.747 478 1HG2 THR 62 2HG2 THR 62 13.098 -22.687 7.215 479 2HG2 THR 62 1HG2 THR 62 14.519 -21.731 6.799 480 3HG2 THR 62 3HG2 THR 62 13.119 -20.954 7.537 481 H TYR 63 HN TYR 63 11.364 -19.070 4.726 482 HA TYR 63 HA TYR 63 10.820 -17.787 7.163 483 1HB TYR 63 HB2 TYR 63 10.713 -16.853 4.297 484 2HB TYR 63 HB1 TYR 63 10.355 -15.785 5.650 485 HD1 TYR 63 HD1 TYR 63 12.906 -17.087 3.561 486 HD2 TYR 63 HD2 TYR 63 12.191 -15.592 7.479 487 HE1 TYR 63 HE1 TYR 63 15.306 -16.618 3.813 488 HE2 TYR 63 HE2 TYR 63 14.589 -15.116 7.742 489 HH TYR 63 HH TYR 63 16.869 -16.325 6.347 490 H THR 64 HN THR 64 8.736 -19.283 4.834 491 HA THR 64 HA THR 64 6.413 -17.751 5.436 492 HB THR 64 HB THR 64 6.866 -20.392 4.083 493 HG1 THR 64 HG1 THR 64 5.733 -17.920 3.277 494 1HG2 THR 64 3HG2 THR 64 4.205 -19.278 4.902 495 2HG2 THR 64 2HG2 THR 64 4.400 -20.346 3.511 496 3HG2 THR 64 1HG2 THR 64 4.832 -20.911 5.125 497 H GLY 65 HN GLY 65 7.291 -21.074 6.370 498 1HA GLY 65 HA1 GLY 65 6.748 -22.290 8.247 499 2HA GLY 65 HA2 GLY 65 5.282 -21.322 8.338 500 H ILE 66 HN ILE 66 8.612 -20.164 8.447 501 HA ILE 66 HA ILE 66 8.832 -19.903 11.253 502 HB ILE 66 HB ILE 66 10.297 -18.574 8.981 503 1HG1 ILE 66 2HG1 ILE 66 10.707 -20.985 9.431 504 2HG1 ILE 66 1HG1 ILE 66 12.140 -19.991 9.672 505 1HG2 ILE 66 3HG2 ILE 66 10.565 -18.079 11.926 506 2HG2 ILE 66 2HG2 ILE 66 11.934 -17.873 10.833 507 3HG2 ILE 66 1HG2 ILE 66 10.473 -16.912 10.607 508 1HD1 ILE 66 1HD1 ILE 66 11.736 -20.043 12.096 509 2HD1 ILE 66 3HD1 ILE 66 10.345 -21.091 11.823 510 3HD1 ILE 66 2HD1 ILE 66 11.966 -21.651 11.410 511 H PHE 67 HN PHE 67 8.290 -17.388 8.774 512 HA PHE 67 HA PHE 67 7.807 -15.238 10.442 513 1HB PHE 67 HB2 PHE 67 8.017 -14.991 8.020 514 2HB PHE 67 HB1 PHE 67 6.484 -15.823 7.783 515 HD1 PHE 67 HD1 PHE 67 8.035 -12.761 9.155 516 HD2 PHE 67 HD2 PHE 67 4.440 -14.666 7.907 517 HE1 PHE 67 HE1 PHE 67 6.852 -10.608 9.289 518 HE2 PHE 67 HE2 PHE 67 3.251 -12.517 8.037 519 HZ PHE 67 HZ PHE 67 4.457 -10.484 8.729 520 H THR 68 HN THR 68 5.307 -17.337 9.000 521 HA THR 68 HA THR 68 3.177 -16.239 10.469 522 HB THR 68 HB THR 68 3.056 -17.615 8.326 523 HG1 THR 68 HG1 THR 68 1.117 -17.163 9.114 524 1HG2 THR 68 1HG2 THR 68 4.309 -19.585 9.424 525 2HG2 THR 68 3HG2 THR 68 2.735 -19.987 10.110 526 3HG2 THR 68 2HG2 THR 68 2.943 -19.918 8.360 527 H ASP 69 HN ASP 69 5.612 -18.455 11.400 528 HA ASP 69 HA ASP 69 4.275 -20.007 13.305 529 1HB ASP 69 HB2 ASP 69 6.908 -19.741 12.490 530 2HB ASP 69 HB1 ASP 69 6.955 -19.218 14.169 531 H GLN 70 HN GLN 70 6.191 -17.055 13.921 532 HA GLN 70 HA GLN 70 5.220 -16.752 16.577 533 1HB GLN 70 HB2 GLN 70 7.385 -15.814 15.416 534 2HB GLN 70 HB1 GLN 70 6.345 -14.449 15.036 535 1HG GLN 70 HG2 GLN 70 6.086 -15.183 17.806 536 2HG GLN 70 HG1 GLN 70 7.774 -14.899 17.387 537 1HE2 GLN 70 1HE2 GLN 70 4.624 -13.491 17.727 538 2HE2 GLN 70 2HE2 GLN 70 5.118 -11.842 17.578 539 H VAL 71 HN VAL 71 4.021 -15.759 13.487 540 HA VAL 71 HA VAL 71 2.386 -13.597 14.342 541 HB VAL 71 HB VAL 71 2.144 -15.396 11.918 542 1HG1 VAL 71 2HG1 VAL 71 0.596 -12.944 12.709 543 2HG1 VAL 71 1HG1 VAL 71 0.727 -13.479 11.035 544 3HG1 VAL 71 3HG1 VAL 71 -0.020 -14.528 12.239 545 1HG2 VAL 71 2HG2 VAL 71 4.123 -13.678 12.367 546 2HG2 VAL 71 1HG2 VAL 71 3.436 -13.921 10.762 547 3HG2 VAL 71 3HG2 VAL 71 2.931 -12.542 11.738 548 H LEU 72 HN LEU 72 1.677 -16.978 13.532 549 HA LEU 72 HA LEU 72 -0.993 -17.029 14.370 550 1HB LEU 72 HB2 LEU 72 0.669 -18.828 13.197 551 2HB LEU 72 HB1 LEU 72 0.607 -19.476 14.825 552 HG LEU 72 HG LEU 72 -1.933 -19.406 14.602 553 1HD1 LEU 72 1HD1 LEU 72 -1.181 -19.031 11.707 554 2HD1 LEU 72 3HD1 LEU 72 -2.783 -19.486 12.290 555 3HD1 LEU 72 2HD1 LEU 72 -2.105 -17.913 12.711 556 1HD2 LEU 72 3HD2 LEU 72 -0.487 -21.444 14.444 557 2HD2 LEU 72 2HD2 LEU 72 -2.005 -21.546 13.552 558 3HD2 LEU 72 1HD2 LEU 72 -0.496 -21.240 12.693 559 H SER 73 HN SER 73 2.050 -17.359 16.093 560 HA SER 73 HA SER 73 1.077 -18.315 18.538 561 1HB SER 73 HB2 SER 73 3.530 -17.968 17.753 562 2HB SER 73 HB1 SER 73 3.341 -16.339 18.401 563 HG SER 73 HG SER 73 3.316 -17.113 20.381 564 H VAL 74 HN VAL 74 1.176 -15.067 17.220 565 HA VAL 74 HA VAL 74 0.380 -13.758 19.634 566 HB VAL 74 HB VAL 74 0.053 -12.761 16.796 567 1HG1 VAL 74 1HG1 VAL 74 -0.112 -11.459 19.487 568 2HG1 VAL 74 3HG1 VAL 74 0.352 -10.526 18.064 569 3HG1 VAL 74 2HG1 VAL 74 -1.214 -11.334 18.115 570 1HG2 VAL 74 3HG2 VAL 74 2.431 -13.124 18.441 571 2HG2 VAL 74 2HG2 VAL 74 2.286 -12.799 16.714 572 3HG2 VAL 74 1HG2 VAL 74 2.230 -11.467 17.868 573 H LEU 75 HN LEU 75 -1.285 -15.579 17.229 574 HA LEU 75 HA LEU 75 -3.851 -14.407 17.431 575 1HB LEU 75 HB2 LEU 75 -2.729 -16.411 15.914 576 2HB LEU 75 HB1 LEU 75 -3.827 -17.294 16.955 577 HG LEU 75 HG LEU 75 -4.926 -16.759 14.871 578 1HD1 LEU 75 3HD1 LEU 75 -6.194 -16.677 17.043 579 2HD1 LEU 75 2HD1 LEU 75 -6.051 -14.920 16.969 580 3HD1 LEU 75 1HD1 LEU 75 -6.920 -15.788 15.703 581 1HD2 LEU 75 3HD2 LEU 75 -3.513 -14.756 14.373 582 2HD2 LEU 75 2HD2 LEU 75 -5.235 -14.539 14.062 583 3HD2 LEU 75 1HD2 LEU 75 -4.506 -13.846 15.511 584 H LYS 76 HN LYS 76 -2.155 -16.821 19.278 585 HA LYS 76 HA LYS 76 -4.385 -17.691 20.827 586 1HB LYS 76 HB2 LYS 76 -1.406 -17.928 21.248 587 2HB LYS 76 HB1 LYS 76 -2.584 -18.621 22.352 588 1HG LYS 76 HG2 LYS 76 -2.451 -20.450 21.095 589 2HG LYS 76 HG1 LYS 76 -3.420 -19.565 19.915 590 1HD LYS 76 HD2 LYS 76 -1.315 -18.732 18.893 591 2HD LYS 76 HD1 LYS 76 -0.410 -19.753 20.011 592 1HE LYS 76 HE2 LYS 76 -0.935 -21.662 18.908 593 2HE LYS 76 HE1 LYS 76 -2.536 -21.084 18.449 594 1HZ LYS 76 HZ3 LYS 76 0.013 -20.209 17.198 595 2HZ LYS 76 HZ2 LYS 76 -1.052 -21.345 16.540 596 3HZ LYS 76 HZ1 LYS 76 -1.544 -19.739 16.729 597 H GLY 77 HN GLY 77 -1.769 -15.346 21.404 598 1HA GLY 77 HA1 GLY 77 -1.436 -13.896 23.186 599 2HA GLY 77 HA2 GLY 77 -2.787 -14.650 24.017 600 H GLU 78 HN GLU 78 -2.056 -12.499 21.281 601 HA GLU 78 HA GLU 78 -3.741 -10.430 22.116 602 1HB GLU 78 HB2 GLU 78 -1.860 -10.265 20.450 603 2HB GLU 78 HB1 GLU 78 -2.927 -10.999 19.263 604 1HG GLU 78 HG2 GLU 78 -3.716 -8.506 20.722 605 2HG GLU 78 HG1 GLU 78 -2.685 -8.447 19.294 606 H GLU 79 HN GLU 79 -4.297 -12.891 19.589 607 HA GLU 79 HA GLU 79 -6.204 -13.851 18.809 608 1HB GLU 79 HB2 GLU 79 -6.934 -13.044 21.417 609 2HB GLU 79 HB1 GLU 79 -8.248 -12.548 20.361 610 1HG GLU 79 HG2 GLU 79 -9.010 -14.619 20.612 611 2HG GLU 79 HG1 GLU 79 -7.733 -15.092 19.494 No H/Q in entry = 611 Start of MODEL 48 1 H1 THR 1 HT2 THR 1 37.668 -3.208 9.245 2 H2 THR 1 HT1 THR 1 36.793 -4.308 10.229 3 H3 THR 1 HT3 THR 1 36.065 -2.837 9.732 4 HA THR 1 HA THR 1 37.597 -1.581 11.000 5 HB THR 1 HB THR 1 36.965 -2.583 13.294 6 HG1 THR 1 HG1 THR 1 36.711 -4.730 12.649 7 1HG2 THR 1 1HG2 THR 1 35.605 -0.872 12.109 8 2HG2 THR 1 3HG2 THR 1 34.673 -2.186 11.392 9 3HG2 THR 1 2HG2 THR 1 34.677 -1.960 13.142 10 H GLN 2 HN GLN 2 39.597 -1.363 11.809 11 HA GLN 2 HA GLN 2 41.308 -3.730 11.912 12 1HB GLN 2 HB2 GLN 2 41.883 -0.769 11.880 13 2HB GLN 2 HB1 GLN 2 43.133 -1.962 12.205 14 1HG GLN 2 HG2 GLN 2 43.031 -2.839 10.052 15 2HG GLN 2 HG1 GLN 2 41.450 -2.127 9.737 16 1HE2 GLN 2 1HE2 GLN 2 44.855 -1.357 10.249 17 2HE2 GLN 2 2HE2 GLN 2 44.849 0.102 9.324 18 H GLN 3 HN GLN 3 40.814 -0.813 13.919 19 HA GLN 3 HA GLN 3 41.917 -2.130 16.237 20 1HB GLN 3 HB2 GLN 3 40.890 0.617 15.643 21 2HB GLN 3 HB1 GLN 3 41.039 0.106 17.319 22 1HG GLN 3 HG2 GLN 3 43.053 1.152 16.929 23 2HG GLN 3 HG1 GLN 3 43.448 -0.547 16.665 24 1HE2 GLN 3 1HE2 GLN 3 43.948 -1.257 14.608 25 2HE2 GLN 3 2HE2 GLN 3 44.238 -0.177 13.290 26 HA PRO 4 HA PRO 4 37.409 -1.965 17.782 27 1HB PRO 4 HB2 PRO 4 35.454 -0.866 16.327 28 2HB PRO 4 HB1 PRO 4 36.581 0.137 17.248 29 1HG PRO 4 HG2 PRO 4 36.544 -0.472 14.323 30 2HG PRO 4 HG1 PRO 4 36.887 1.060 15.145 31 1HD PRO 4 HD2 PRO 4 38.806 -0.685 14.177 32 2HD PRO 4 HD1 PRO 4 39.084 0.536 15.434 33 H GLN 5 HN GLN 5 38.295 -4.151 16.728 34 HA GLN 5 HA GLN 5 36.778 -5.229 14.564 35 1HB GLN 5 HB2 GLN 5 38.768 -6.296 16.513 36 2HB GLN 5 HB1 GLN 5 37.759 -7.445 15.645 37 1HG GLN 5 HG2 GLN 5 39.222 -5.322 14.144 38 2HG GLN 5 HG1 GLN 5 40.074 -6.762 14.694 39 1HE2 GLN 5 1HE2 GLN 5 40.132 -8.383 13.309 40 2HE2 GLN 5 2HE2 GLN 5 38.996 -8.678 12.040 41 H GLN 6 HN GLN 6 36.710 -5.751 18.088 42 HA GLN 6 HA GLN 6 34.491 -7.520 18.058 43 1HB GLN 6 HB2 GLN 6 34.396 -7.030 20.521 44 2HB GLN 6 HB1 GLN 6 35.954 -7.596 19.937 45 1HG GLN 6 HG2 GLN 6 36.996 -5.692 20.490 46 2HG GLN 6 HG1 GLN 6 35.652 -4.680 19.962 47 1HE2 GLN 6 1HE2 GLN 6 33.962 -4.242 21.416 48 2HE2 GLN 6 2HE2 GLN 6 34.161 -4.446 23.120 49 H ASP 7 HN ASP 7 33.281 -5.982 16.476 50 HA ASP 7 HA ASP 7 32.032 -3.659 17.544 51 1HB ASP 7 HB2 ASP 7 31.346 -5.344 15.127 52 2HB ASP 7 HB1 ASP 7 30.588 -3.802 15.510 53 H GLU 8 HN GLU 8 30.356 -3.524 18.886 54 HA GLU 8 HA GLU 8 28.997 -5.839 19.830 55 1HB GLU 8 HB2 GLU 8 29.401 -3.265 20.765 56 2HB GLU 8 HB1 GLU 8 27.679 -3.297 20.417 57 1HG GLU 8 HG2 GLU 8 28.840 -5.564 21.940 58 2HG GLU 8 HG1 GLU 8 28.646 -4.016 22.760 59 H MET 9 HN MET 9 27.809 -6.877 18.294 60 HA MET 9 HA MET 9 26.173 -5.557 16.386 61 1HB MET 9 HB2 MET 9 26.778 -8.333 17.128 62 2HB MET 9 HB1 MET 9 25.151 -8.098 16.506 63 1HG MET 9 HG2 MET 9 27.566 -7.052 15.068 64 2HG MET 9 HG1 MET 9 26.981 -8.700 14.846 65 1HE MET 9 HE1 MET 9 25.009 -9.407 13.561 66 2HE MET 9 HE3 MET 9 23.880 -8.661 14.692 67 3HE MET 9 HE2 MET 9 23.714 -8.371 12.960 68 HA PRO 10 HA PRO 10 22.403 -6.671 19.078 69 1HB PRO 10 HB2 PRO 10 22.633 -8.151 21.299 70 2HB PRO 10 HB1 PRO 10 22.627 -8.894 19.695 71 1HG PRO 10 HG2 PRO 10 24.943 -8.276 21.489 72 2HG PRO 10 HG1 PRO 10 24.634 -9.729 20.521 73 1HD PRO 10 HD2 PRO 10 26.305 -7.688 19.750 74 2HD PRO 10 HD1 PRO 10 25.489 -8.787 18.622 75 H SER 11 HN SER 11 23.515 -4.338 19.367 76 HA SER 11 HA SER 11 24.230 -3.610 22.032 77 1HB SER 11 HB2 SER 11 23.588 -2.045 19.542 78 2HB SER 11 HB1 SER 11 23.844 -1.235 21.087 79 HG SER 11 HG SER 11 25.657 -2.731 19.540 80 HA PRO 12 HA PRO 12 20.366 -3.190 24.120 81 1HB PRO 12 HB2 PRO 12 21.434 -0.526 24.952 82 2HB PRO 12 HB1 PRO 12 20.738 -1.817 25.938 83 1HG PRO 12 HG2 PRO 12 23.368 -1.429 25.883 84 2HG PRO 12 HG1 PRO 12 22.691 -3.068 25.916 85 1HD PRO 12 HD2 PRO 12 23.918 -1.567 23.652 86 2HD PRO 12 HD1 PRO 12 23.959 -3.306 24.012 87 H THR 13 HN THR 13 21.518 -0.108 22.710 88 HA THR 13 HA THR 13 18.881 0.885 22.253 89 HB THR 13 HB THR 13 20.138 2.599 20.823 90 HG1 THR 13 HG1 THR 13 22.033 1.777 20.301 91 1HG2 THR 13 3HG2 THR 13 19.564 3.054 23.157 92 2HG2 THR 13 2HG2 THR 13 21.069 2.288 23.665 93 3HG2 THR 13 1HG2 THR 13 21.112 3.762 22.698 94 H PHE 14 HN PHE 14 17.977 -0.950 21.107 95 HA PHE 14 HA PHE 14 18.961 -1.628 18.494 96 1HB PHE 14 HB2 PHE 14 16.463 -2.383 20.012 97 2HB PHE 14 HB1 PHE 14 16.775 -2.933 18.369 98 HD1 PHE 14 HD1 PHE 14 19.029 -4.153 17.977 99 HD2 PHE 14 HD2 PHE 14 17.241 -3.621 21.803 100 HE1 PHE 14 HE1 PHE 14 20.354 -6.031 18.853 101 HE2 PHE 14 HE2 PHE 14 18.565 -5.498 22.685 102 HZ PHE 14 HZ PHE 14 20.123 -6.705 21.210 103 H LEU 15 HN LEU 15 16.130 0.139 19.740 104 HA LEU 15 HA LEU 15 15.024 0.795 17.233 105 1HB LEU 15 HB2 LEU 15 13.887 0.967 19.473 106 2HB LEU 15 HB1 LEU 15 14.817 2.423 19.767 107 HG LEU 15 HG LEU 15 13.271 2.397 17.251 108 1HD1 LEU 15 2HD1 LEU 15 11.697 1.281 18.741 109 2HD1 LEU 15 1HD1 LEU 15 11.897 2.569 19.929 110 3HD1 LEU 15 3HD1 LEU 15 11.163 2.918 18.363 111 1HD2 LEU 15 1HD2 LEU 15 13.674 4.395 19.474 112 2HD2 LEU 15 3HD2 LEU 15 14.519 4.354 17.928 113 3HD2 LEU 15 2HD2 LEU 15 12.792 4.704 17.979 114 H THR 16 HN THR 16 17.260 2.563 19.359 115 HA THR 16 HA THR 16 17.492 4.909 17.864 116 HB THR 16 HB THR 16 19.783 3.682 19.390 117 HG1 THR 16 HG1 THR 16 17.497 4.995 20.434 118 1HG2 THR 16 1HG2 THR 16 18.896 6.527 18.997 119 2HG2 THR 16 3HG2 THR 16 20.183 6.012 20.087 120 3HG2 THR 16 2HG2 THR 16 20.349 5.764 18.349 121 H GLN 17 HN GLN 17 19.120 1.797 17.505 122 HA GLN 17 HA GLN 17 21.116 2.579 15.688 123 1HB GLN 17 HB2 GLN 17 21.145 0.421 16.856 124 2HB GLN 17 HB1 GLN 17 19.726 -0.095 15.957 125 1HG GLN 17 HG2 GLN 17 21.734 -1.088 15.043 126 2HG GLN 17 HG1 GLN 17 20.996 0.008 13.878 127 1HE2 GLN 17 1HE2 GLN 17 22.529 0.971 12.749 128 2HE2 GLN 17 2HE2 GLN 17 23.995 1.632 13.382 129 H VAL 18 HN VAL 18 17.849 1.289 15.134 130 HA VAL 18 HA VAL 18 17.544 0.865 12.547 131 HB VAL 18 HB VAL 18 15.722 2.704 14.105 132 1HG1 VAL 18 2HG1 VAL 18 15.351 1.254 11.498 133 2HG1 VAL 18 1HG1 VAL 18 13.988 1.760 12.495 134 3HG1 VAL 18 3HG1 VAL 18 15.103 2.964 11.850 135 1HG2 VAL 18 3HG2 VAL 18 15.885 -0.284 13.828 136 2HG2 VAL 18 2HG2 VAL 18 15.863 0.686 15.300 137 3HG2 VAL 18 1HG2 VAL 18 14.402 0.529 14.326 138 H LYS 19 HN LYS 19 17.688 4.203 13.811 139 HA LYS 19 HA LYS 19 17.300 5.609 11.476 140 1HB LYS 19 HB2 LYS 19 18.930 6.211 13.926 141 2HB LYS 19 HB1 LYS 19 18.858 7.350 12.588 142 1HG LYS 19 HG2 LYS 19 16.990 8.173 13.436 143 2HG LYS 19 HG1 LYS 19 16.201 6.622 13.146 144 1HD LYS 19 HD2 LYS 19 17.882 6.665 15.542 145 2HD LYS 19 HD1 LYS 19 16.537 7.804 15.596 146 1HE LYS 19 HE2 LYS 19 16.041 5.001 14.704 147 2HE LYS 19 HE1 LYS 19 16.241 5.333 16.423 148 1HZ LYS 19 HZ2 LYS 19 14.264 6.671 14.654 149 2HZ LYS 19 HZ1 LYS 19 13.913 5.399 15.711 150 3HZ LYS 19 HZ3 LYS 19 14.424 6.891 16.324 151 H GLU 20 HN GLU 20 20.437 4.501 12.772 152 HA GLU 20 HA GLU 20 21.989 5.483 10.633 153 1HB GLU 20 HB2 GLU 20 22.545 3.205 12.535 154 2HB GLU 20 HB1 GLU 20 23.734 3.913 11.452 155 1HG GLU 20 HG2 GLU 20 24.244 5.375 13.024 156 2HG GLU 20 HG1 GLU 20 22.618 6.044 12.900 157 H SER 21 HN SER 21 20.115 2.587 11.029 158 HA SER 21 HA SER 21 21.282 1.001 9.012 159 1HB SER 21 HB2 SER 21 18.345 0.918 9.693 160 2HB SER 21 HB1 SER 21 19.395 -0.409 9.200 161 HG SER 21 HG SER 21 20.320 -0.428 11.190 162 H LEU 22 HN LEU 22 18.594 3.321 8.940 163 HA LEU 22 HA LEU 22 18.041 2.983 6.162 164 1HB LEU 22 HB2 LEU 22 17.250 4.984 8.247 165 2HB LEU 22 HB1 LEU 22 16.906 5.306 6.558 166 HG LEU 22 HG LEU 22 15.815 2.904 6.652 167 1HD1 LEU 22 3HD1 LEU 22 15.783 3.811 9.524 168 2HD1 LEU 22 2HD1 LEU 22 14.695 2.591 8.862 169 3HD1 LEU 22 1HD1 LEU 22 16.435 2.305 8.876 170 1HD2 LEU 22 3HD2 LEU 22 14.649 4.975 6.100 171 2HD2 LEU 22 2HD2 LEU 22 13.671 3.962 7.162 172 3HD2 LEU 22 1HD2 LEU 22 14.515 5.366 7.815 173 H SER 23 HN SER 23 20.019 5.232 8.045 174 HA SER 23 HA SER 23 20.660 7.046 6.012 175 1HB SER 23 HB2 SER 23 22.368 6.188 8.363 176 2HB SER 23 HB1 SER 23 22.613 7.642 7.394 177 HG SER 23 HG SER 23 20.759 7.120 9.373 178 H SER 24 HN SER 24 22.299 4.060 7.022 179 HA SER 24 HA SER 24 24.429 4.218 5.178 180 1HB SER 24 HB2 SER 24 23.184 1.838 6.568 181 2HB SER 24 HB1 SER 24 24.665 1.756 5.614 182 HG SER 24 HG SER 24 24.214 2.887 8.116 183 H TYR 25 HN TYR 25 21.109 3.437 4.745 184 HA TYR 25 HA TYR 25 21.383 1.760 2.456 185 1HB TYR 25 HB2 TYR 25 19.328 2.118 4.040 186 2HB TYR 25 HB1 TYR 25 18.951 3.447 2.948 187 HD1 TYR 25 HD1 TYR 25 19.007 -0.159 3.379 188 HD2 TYR 25 HD2 TYR 25 18.436 2.986 0.571 189 HE1 TYR 25 HE1 TYR 25 17.939 -1.742 1.832 190 HE2 TYR 25 HE2 TYR 25 17.364 1.411 -0.983 191 HH TYR 25 HH TYR 25 17.657 -1.544 -1.101 192 H TRP 26 HN TRP 26 20.999 5.239 2.959 193 HA TRP 26 HA TRP 26 20.573 5.963 0.270 194 1HB TRP 26 HB2 TRP 26 20.344 7.358 2.477 195 2HB TRP 26 HB1 TRP 26 22.025 7.777 2.163 196 HD1 TRP 26 HD1 TRP 26 22.276 9.947 0.845 197 HE1 TRP 26 HE1 TRP 26 20.863 11.253 -0.865 198 HE3 TRP 26 HE3 TRP 26 18.317 6.738 0.444 199 HZ2 TRP 26 HZ2 TRP 26 18.396 10.961 -2.207 200 HZ3 TRP 26 HZ3 TRP 26 16.472 7.326 -1.074 201 HH2 TRP 26 HH2 TRP 26 16.511 9.394 -2.370 202 H GLU 27 HN GLU 27 23.517 5.553 2.167 203 HA GLU 27 HA GLU 27 25.492 6.607 0.643 204 1HB GLU 27 HB2 GLU 27 25.307 4.231 2.389 205 2HB GLU 27 HB1 GLU 27 26.666 4.240 1.273 206 1HG GLU 27 HG2 GLU 27 27.764 5.516 2.700 207 2HG GLU 27 HG1 GLU 27 26.593 6.800 2.401 208 H SER 28 HN SER 28 24.295 3.277 0.226 209 HA SER 28 HA SER 28 25.474 3.154 -2.433 210 1HB SER 28 HB2 SER 28 25.519 1.268 -0.649 211 2HB SER 28 HB1 SER 28 23.866 0.948 -1.173 212 HG SER 28 HG SER 28 26.273 0.603 -2.540 213 H ALA 29 HN ALA 29 22.589 4.263 -1.190 214 HA ALA 29 HA ALA 29 20.645 3.152 -2.887 215 1HB ALA 29 HB1 ALA 29 20.023 4.450 -0.941 216 2HB ALA 29 HB2 ALA 29 19.311 5.159 -2.389 217 3HB ALA 29 HB3 ALA 29 20.730 5.901 -1.651 218 H LYS 30 HN LYS 30 23.057 5.617 -3.477 219 HA LYS 30 HA LYS 30 21.981 6.937 -5.660 220 1HB LYS 30 HB2 LYS 30 24.887 6.170 -5.344 221 2HB LYS 30 HB1 LYS 30 24.254 7.494 -6.310 222 1HG LYS 30 HG2 LYS 30 24.221 7.266 -3.307 223 2HG LYS 30 HG1 LYS 30 25.193 8.366 -4.283 224 1HD LYS 30 HD2 LYS 30 23.551 9.853 -3.976 225 2HD LYS 30 HD1 LYS 30 22.617 8.890 -5.120 226 1HE LYS 30 HE2 LYS 30 22.403 7.635 -2.595 227 2HE LYS 30 HE1 LYS 30 22.132 9.359 -2.345 228 1HZ LYS 30 HZ3 LYS 30 20.759 7.959 -4.543 229 2HZ LYS 30 HZ2 LYS 30 20.157 7.848 -2.968 230 3HZ LYS 30 HZ1 LYS 30 20.295 9.359 -3.715 231 H THR 31 HN THR 31 23.915 3.950 -5.687 232 HA THR 31 HA THR 31 24.045 3.451 -8.390 233 HB THR 31 HB THR 31 23.483 1.298 -6.346 234 HG1 THR 31 HG1 THR 31 25.196 2.010 -5.377 235 1HG2 THR 31 3HG2 THR 31 25.152 1.305 -8.848 236 2HG2 THR 31 2HG2 THR 31 25.057 -0.020 -7.688 237 3HG2 THR 31 1HG2 THR 31 23.625 0.458 -8.599 238 H ALA 32 HN ALA 32 21.385 2.942 -6.147 239 HA ALA 32 HA ALA 32 19.672 1.523 -7.881 240 1HB ALA 32 HB3 ALA 32 18.041 1.776 -6.275 241 2HB ALA 32 HB2 ALA 32 19.500 2.007 -5.311 242 3HB ALA 32 HB1 ALA 32 18.565 3.404 -5.843 243 H ALA 33 HN ALA 33 20.090 5.008 -7.267 244 HA ALA 33 HA ALA 33 18.010 6.037 -8.760 245 1HB ALA 33 HB3 ALA 33 19.724 7.304 -7.369 246 2HB ALA 33 HB2 ALA 33 20.752 7.266 -8.802 247 3HB ALA 33 HB1 ALA 33 19.186 8.077 -8.861 248 H GLN 34 HN GLN 34 21.277 5.289 -9.958 249 HA GLN 34 HA GLN 34 20.677 5.831 -12.670 250 1HB GLN 34 HB2 GLN 34 22.815 4.085 -11.425 251 2HB GLN 34 HB1 GLN 34 22.736 4.464 -13.140 252 1HG GLN 34 HG2 GLN 34 24.204 6.058 -12.493 253 2HG GLN 34 HG1 GLN 34 22.707 6.945 -12.214 254 1HE2 GLN 34 1HE2 GLN 34 22.521 7.890 -10.308 255 2HE2 GLN 34 2HE2 GLN 34 23.364 7.447 -8.867 256 H ASN 35 HN ASN 35 20.490 2.960 -10.648 257 HA ASN 35 HA ASN 35 19.926 1.082 -12.669 258 1HB ASN 35 HB2 ASN 35 20.328 0.930 -9.968 259 2HB ASN 35 HB1 ASN 35 18.602 0.602 -10.086 260 1HD2 ASN 35 1HD2 ASN 35 21.702 -0.678 -10.345 261 2HD2 ASN 35 2HD2 ASN 35 21.285 -2.205 -11.037 262 H LEU 36 HN LEU 36 17.959 3.472 -11.144 263 HA LEU 36 HA LEU 36 15.391 2.475 -11.603 264 1HB LEU 36 HB2 LEU 36 16.178 4.646 -10.379 265 2HB LEU 36 HB1 LEU 36 16.065 5.383 -11.965 266 HG LEU 36 HG LEU 36 13.701 3.887 -10.929 267 1HD1 LEU 36 2HD1 LEU 36 14.417 5.282 -9.043 268 2HD1 LEU 36 1HD1 LEU 36 14.405 6.697 -10.095 269 3HD1 LEU 36 3HD1 LEU 36 12.901 5.846 -9.744 270 1HD2 LEU 36 1HD2 LEU 36 14.190 6.237 -12.737 271 2HD2 LEU 36 3HD2 LEU 36 13.454 4.683 -13.127 272 3HD2 LEU 36 2HD2 LEU 36 12.585 5.842 -12.121 273 H TYR 37 HN TYR 37 17.553 4.444 -13.553 274 HA TYR 37 HA TYR 37 15.936 4.563 -15.883 275 1HB TYR 37 HB2 TYR 37 18.769 5.153 -15.208 276 2HB TYR 37 HB1 TYR 37 18.422 4.824 -16.902 277 HD1 TYR 37 HD1 TYR 37 16.994 6.327 -18.195 278 HD2 TYR 37 HD2 TYR 37 17.942 7.152 -14.130 279 HE1 TYR 37 HE1 TYR 37 16.221 8.644 -18.490 280 HE2 TYR 37 HE2 TYR 37 17.171 9.469 -14.414 281 HH TYR 37 HH TYR 37 15.277 10.545 -16.442 282 H GLU 38 HN GLU 38 18.358 2.243 -14.693 283 HA GLU 38 HA GLU 38 18.568 0.680 -17.051 284 1HB GLU 38 HB2 GLU 38 18.696 -0.318 -14.195 285 2HB GLU 38 HB1 GLU 38 19.317 -1.150 -15.613 286 1HG GLU 38 HG2 GLU 38 20.359 1.345 -14.317 287 2HG GLU 38 HG1 GLU 38 21.179 -0.196 -14.550 288 H LYS 39 HN LYS 39 16.292 0.542 -14.356 289 HA LYS 39 HA LYS 39 14.823 -1.690 -15.264 290 1HB LYS 39 HB2 LYS 39 13.981 0.609 -13.487 291 2HB LYS 39 HB1 LYS 39 13.050 -0.864 -13.723 292 1HG LYS 39 HG2 LYS 39 14.393 -2.093 -12.390 293 2HG LYS 39 HG1 LYS 39 15.851 -1.220 -12.866 294 1HD LYS 39 HD2 LYS 39 14.703 0.745 -11.542 295 2HD LYS 39 HD1 LYS 39 13.853 -0.581 -10.747 296 1HE LYS 39 HE2 LYS 39 15.850 -1.510 -9.926 297 2HE LYS 39 HE1 LYS 39 16.844 -0.553 -11.023 298 1HZ LYS 39 HZ2 LYS 39 15.250 0.538 -8.766 299 2HZ LYS 39 HZ1 LYS 39 16.923 0.287 -8.751 300 3HZ LYS 39 HZ3 LYS 39 16.248 1.431 -9.799 301 H THR 40 HN THR 40 14.958 1.555 -16.397 302 HA THR 40 HA THR 40 12.336 1.364 -17.684 303 HB THR 40 HB THR 40 12.463 3.660 -18.161 304 HG1 THR 40 HG1 THR 40 15.249 3.380 -17.831 305 1HG2 THR 40 3HG2 THR 40 12.787 2.897 -15.561 306 2HG2 THR 40 2HG2 THR 40 14.075 4.083 -15.779 307 3HG2 THR 40 1HG2 THR 40 12.401 4.525 -16.121 308 H TYR 41 HN TYR 41 15.011 -0.085 -18.358 309 HA TYR 41 HA TYR 41 14.544 -0.339 -21.128 310 1HB TYR 41 HB2 TYR 41 15.929 1.953 -20.642 311 2HB TYR 41 HB1 TYR 41 17.253 0.812 -20.850 312 HD1 TYR 41 HD1 TYR 41 14.372 2.406 -22.489 313 HD2 TYR 41 HD2 TYR 41 17.732 -0.153 -23.002 314 HE1 TYR 41 HE1 TYR 41 14.130 2.587 -24.928 315 HE2 TYR 41 HE2 TYR 41 17.500 0.022 -25.443 316 HH TYR 41 HH TYR 41 16.166 2.173 -27.017 317 H LEU 42 HN LEU 42 14.771 -2.170 -19.083 318 HA LEU 42 HA LEU 42 17.274 -3.588 -19.733 319 1HB LEU 42 HB2 LEU 42 15.935 -3.092 -17.168 320 2HB LEU 42 HB1 LEU 42 16.398 -4.764 -17.417 321 HG LEU 42 HG LEU 42 18.307 -2.435 -17.631 322 1HD1 LEU 42 3HD1 LEU 42 17.816 -4.338 -15.346 323 2HD1 LEU 42 2HD1 LEU 42 19.163 -3.205 -15.453 324 3HD1 LEU 42 1HD1 LEU 42 17.508 -2.602 -15.356 325 1HD2 LEU 42 2HD2 LEU 42 18.608 -5.415 -17.771 326 2HD2 LEU 42 1HD2 LEU 42 19.211 -4.183 -18.881 327 3HD2 LEU 42 3HD2 LEU 42 19.951 -4.378 -17.292 328 HA PRO 43 HA PRO 43 14.480 -6.684 -21.345 329 1HB PRO 43 HB2 PRO 43 16.296 -8.484 -22.134 330 2HB PRO 43 HB1 PRO 43 16.132 -6.922 -22.945 331 1HG PRO 43 HG2 PRO 43 18.151 -7.806 -20.922 332 2HG PRO 43 HG1 PRO 43 18.384 -6.836 -22.388 333 1HD PRO 43 HD2 PRO 43 18.170 -5.798 -19.840 334 2HD PRO 43 HD1 PRO 43 17.822 -4.894 -21.326 335 H ALA 44 HN ALA 44 16.744 -7.314 -18.757 336 HA ALA 44 HA ALA 44 16.057 -9.990 -18.180 337 1HB ALA 44 HB3 ALA 44 17.162 -7.875 -16.339 338 2HB ALA 44 HB2 ALA 44 17.151 -9.611 -16.032 339 3HB ALA 44 HB1 ALA 44 18.106 -8.959 -17.363 340 H VAL 45 HN VAL 45 14.314 -7.106 -17.683 341 HA VAL 45 HA VAL 45 12.964 -7.109 -15.417 342 HB VAL 45 HB VAL 45 11.799 -6.811 -18.178 343 1HG1 VAL 45 1HG1 VAL 45 10.451 -6.520 -15.515 344 2HG1 VAL 45 3HG1 VAL 45 9.944 -5.556 -16.902 345 3HG1 VAL 45 2HG1 VAL 45 9.868 -7.316 -16.977 346 1HG2 VAL 45 1HG2 VAL 45 13.555 -5.224 -17.062 347 2HG2 VAL 45 3HG2 VAL 45 12.182 -4.556 -17.944 348 3HG2 VAL 45 2HG2 VAL 45 12.151 -4.622 -16.181 349 H ASP 46 HN ASP 46 11.649 -9.079 -18.102 350 HA ASP 46 HA ASP 46 9.834 -10.460 -16.419 351 1HB ASP 46 HB2 ASP 46 10.832 -11.135 -19.193 352 2HB ASP 46 HB1 ASP 46 9.484 -11.935 -18.390 353 H GLU 47 HN GLU 47 13.142 -11.101 -17.384 354 HA GLU 47 HA GLU 47 13.183 -13.866 -16.715 355 1HB GLU 47 HB2 GLU 47 15.326 -11.783 -17.052 356 2HB GLU 47 HB1 GLU 47 15.719 -13.412 -16.522 357 1HG GLU 47 HG2 GLU 47 16.032 -13.618 -18.768 358 2HG GLU 47 HG1 GLU 47 14.344 -14.107 -18.637 359 H LYS 48 HN LYS 48 14.126 -10.956 -14.899 360 HA LYS 48 HA LYS 48 15.055 -12.197 -12.581 361 1HB LYS 48 HB2 LYS 48 14.149 -9.504 -13.335 362 2HB LYS 48 HB1 LYS 48 13.974 -9.875 -11.626 363 1HG LYS 48 HG2 LYS 48 16.563 -10.509 -12.934 364 2HG LYS 48 HG1 LYS 48 16.181 -8.818 -12.605 365 1HD LYS 48 HD2 LYS 48 17.303 -9.489 -10.681 366 2HD LYS 48 HD1 LYS 48 15.606 -9.641 -10.227 367 1HE LYS 48 HE2 LYS 48 16.867 -11.579 -9.479 368 2HE LYS 48 HE1 LYS 48 15.695 -12.041 -10.711 369 1HZ LYS 48 HZ1 LYS 48 18.491 -11.429 -11.439 370 2HZ LYS 48 HZ3 LYS 48 18.062 -12.964 -10.872 371 3HZ LYS 48 HZ2 LYS 48 17.354 -12.355 -12.282 372 H LEU 49 HN LEU 49 11.798 -11.793 -13.710 373 HA LEU 49 HA LEU 49 10.427 -11.949 -11.249 374 1HB LEU 49 HB2 LEU 49 9.740 -11.830 -13.989 375 2HB LEU 49 HB1 LEU 49 8.975 -13.274 -13.353 376 HG LEU 49 HG LEU 49 8.118 -11.702 -11.468 377 1HD1 LEU 49 2HD1 LEU 49 9.494 -9.779 -12.056 378 2HD1 LEU 49 1HD1 LEU 49 8.730 -9.707 -13.644 379 3HD1 LEU 49 3HD1 LEU 49 7.778 -9.395 -12.193 380 1HD2 LEU 49 1HD2 LEU 49 6.715 -12.807 -13.152 381 2HD2 LEU 49 3HD2 LEU 49 6.141 -11.181 -12.779 382 3HD2 LEU 49 2HD2 LEU 49 7.031 -11.483 -14.273 383 H ARG 50 HN ARG 50 10.956 -14.483 -13.707 384 HA ARG 50 HA ARG 50 10.214 -16.626 -12.026 385 1HB ARG 50 HB2 ARG 50 11.546 -16.347 -14.665 386 2HB ARG 50 HB1 ARG 50 11.819 -17.857 -13.805 387 1HG ARG 50 HG2 ARG 50 9.017 -16.997 -13.889 388 2HG ARG 50 HG1 ARG 50 9.727 -17.366 -15.462 389 1HD ARG 50 HD2 ARG 50 8.670 -19.336 -14.479 390 2HD ARG 50 HD1 ARG 50 10.408 -19.561 -14.654 391 HE ARG 50 HE ARG 50 9.800 -18.590 -12.067 392 1HH1 ARG 50 1HH1 ARG 50 9.584 -21.495 -14.007 393 2HH1 ARG 50 2HH1 ARG 50 9.686 -22.558 -12.645 394 1HH2 ARG 50 1HH2 ARG 50 9.938 -19.996 -10.277 395 2HH2 ARG 50 2HH2 ARG 50 9.886 -21.708 -10.528 396 H ASP 51 HN ASP 51 13.248 -14.946 -12.588 397 HA ASP 51 HA ASP 51 15.051 -16.755 -11.461 398 1HB ASP 51 HB2 ASP 51 15.006 -13.821 -11.902 399 2HB ASP 51 HB1 ASP 51 16.172 -14.418 -10.728 400 H LEU 52 HN LEU 52 13.322 -14.071 -9.881 401 HA LEU 52 HA LEU 52 14.205 -14.803 -7.258 402 1HB LEU 52 HB2 LEU 52 12.001 -12.933 -8.130 403 2HB LEU 52 HB1 LEU 52 12.620 -13.072 -6.495 404 HG LEU 52 HG LEU 52 14.438 -12.333 -8.769 405 1HD1 LEU 52 2HD1 LEU 52 12.549 -10.774 -8.821 406 2HD1 LEU 52 1HD1 LEU 52 12.797 -10.424 -7.111 407 3HD1 LEU 52 3HD1 LEU 52 14.036 -9.988 -8.288 408 1HD2 LEU 52 2HD2 LEU 52 14.499 -11.802 -5.800 409 2HD2 LEU 52 1HD2 LEU 52 15.477 -12.983 -6.670 410 3HD2 LEU 52 3HD2 LEU 52 15.707 -11.261 -6.967 411 H TYR 53 HN TYR 53 11.634 -15.844 -9.299 412 HA TYR 53 HA TYR 53 9.752 -16.591 -7.317 413 1HB TYR 53 HB2 TYR 53 9.476 -16.381 -9.905 414 2HB TYR 53 HB1 TYR 53 10.026 -18.053 -9.927 415 HD1 TYR 53 HD1 TYR 53 7.231 -15.881 -9.504 416 HD2 TYR 53 HD2 TYR 53 8.709 -19.742 -8.498 417 HE1 TYR 53 HE1 TYR 53 4.939 -16.628 -9.027 418 HE2 TYR 53 HE2 TYR 53 6.421 -20.500 -8.020 419 HH TYR 53 HH TYR 53 4.075 -18.927 -7.290 420 H SER 54 HN SER 54 12.234 -18.461 -9.073 421 HA SER 54 HA SER 54 11.794 -20.909 -7.764 422 1HB SER 54 HB2 SER 54 14.116 -21.476 -8.523 423 2HB SER 54 HB1 SER 54 13.083 -20.850 -9.807 424 HG SER 54 HG SER 54 14.272 -19.088 -9.929 425 H LYS 55 HN LYS 55 13.975 -18.214 -7.016 426 HA LYS 55 HA LYS 55 15.307 -19.392 -4.839 427 1HB LYS 55 HB2 LYS 55 14.723 -16.483 -5.419 428 2HB LYS 55 HB1 LYS 55 15.830 -17.045 -4.174 429 1HG LYS 55 HG2 LYS 55 17.374 -17.834 -5.729 430 2HG LYS 55 HG1 LYS 55 16.188 -17.847 -7.036 431 1HD LYS 55 HD2 LYS 55 16.091 -15.289 -6.650 432 2HD LYS 55 HD1 LYS 55 17.624 -15.522 -5.808 433 1HE LYS 55 HE2 LYS 55 18.725 -16.198 -7.732 434 2HE LYS 55 HE1 LYS 55 17.231 -16.656 -8.547 435 1HZ LYS 55 HZ1 LYS 55 16.707 -14.170 -8.469 436 2HZ LYS 55 HZ3 LYS 55 18.354 -13.955 -8.138 437 3HZ LYS 55 HZ2 LYS 55 17.870 -14.693 -9.579 438 H SER 56 HN SER 56 12.483 -17.217 -4.905 439 HA SER 56 HA SER 56 12.050 -17.164 -2.131 440 1HB SER 56 HB2 SER 56 9.830 -16.272 -2.662 441 2HB SER 56 HB1 SER 56 11.069 -15.518 -3.664 442 HG SER 56 HG SER 56 10.032 -16.223 -5.335 443 H THR 57 HN THR 57 10.660 -19.339 -4.610 444 HA THR 57 HA THR 57 8.796 -20.607 -2.971 445 HB THR 57 HB THR 57 9.099 -22.572 -4.580 446 HG1 THR 57 HG1 THR 57 11.093 -22.346 -5.386 447 1HG2 THR 57 3HG2 THR 57 8.441 -19.822 -5.572 448 2HG2 THR 57 2HG2 THR 57 8.278 -21.263 -6.575 449 3HG2 THR 57 1HG2 THR 57 7.339 -21.112 -5.090 450 H ALA 58 HN ALA 58 12.256 -21.144 -3.273 451 HA ALA 58 HA ALA 58 12.156 -23.534 -1.621 452 1HB ALA 58 HB3 ALA 58 14.598 -23.576 -1.926 453 2HB ALA 58 HB2 ALA 58 13.733 -23.492 -3.461 454 3HB ALA 58 HB1 ALA 58 14.501 -22.047 -2.801 455 H ALA 59 HN ALA 59 13.630 -20.290 -1.415 456 HA ALA 59 HA ALA 59 14.573 -20.532 1.226 457 1HB ALA 59 HB1 ALA 59 14.767 -18.078 1.180 458 2HB ALA 59 HB2 ALA 59 13.852 -18.051 -0.328 459 3HB ALA 59 HB3 ALA 59 15.430 -18.835 -0.269 460 H MET 60 HN MET 60 11.717 -18.732 0.052 461 HA MET 60 HA MET 60 10.687 -18.132 2.590 462 1HB MET 60 HB2 MET 60 10.086 -17.288 0.136 463 2HB MET 60 HB1 MET 60 8.792 -18.463 0.325 464 1HG MET 60 HG2 MET 60 8.650 -17.128 2.686 465 2HG MET 60 HG1 MET 60 9.171 -15.851 1.588 466 1HE MET 60 HE1 MET 60 6.531 -16.564 3.390 467 2HE MET 60 HE3 MET 60 6.388 -14.972 2.647 468 3HE MET 60 HE2 MET 60 5.106 -16.162 2.432 469 H SER 61 HN SER 61 10.755 -21.162 1.019 470 HA SER 61 HA SER 61 8.292 -22.236 1.915 471 1HB SER 61 HB2 SER 61 10.534 -23.159 0.437 472 2HB SER 61 HB1 SER 61 10.284 -24.290 1.765 473 HG SER 61 HG SER 61 8.706 -23.765 -0.438 474 H THR 62 HN THR 62 11.261 -21.575 3.543 475 HA THR 62 HA THR 62 10.545 -23.297 5.802 476 HB THR 62 HB THR 62 12.805 -22.622 6.685 477 HG1 THR 62 HG1 THR 62 13.577 -20.917 5.733 478 1HG2 THR 62 1HG2 THR 62 12.534 -24.713 5.419 479 2HG2 THR 62 3HG2 THR 62 12.915 -23.836 3.936 480 3HG2 THR 62 2HG2 THR 62 14.125 -23.981 5.211 481 H TYR 63 HN TYR 63 11.407 -19.916 5.085 482 HA TYR 63 HA TYR 63 10.817 -18.897 7.634 483 1HB TYR 63 HB2 TYR 63 12.219 -17.767 5.875 484 2HB TYR 63 HB1 TYR 63 10.729 -17.383 5.021 485 HD1 TYR 63 HD1 TYR 63 11.993 -17.122 8.539 486 HD2 TYR 63 HD2 TYR 63 10.000 -15.218 5.298 487 HE1 TYR 63 HE1 TYR 63 11.749 -15.085 9.893 488 HE2 TYR 63 HE2 TYR 63 9.753 -13.175 6.643 489 HH TYR 63 HH TYR 63 11.357 -12.292 8.964 490 H THR 64 HN THR 64 8.740 -20.037 5.161 491 HA THR 64 HA THR 64 6.571 -18.256 5.628 492 HB THR 64 HB THR 64 6.916 -20.843 4.196 493 HG1 THR 64 HG1 THR 64 7.037 -19.178 2.859 494 1HG2 THR 64 1HG2 THR 64 4.240 -19.846 5.118 495 2HG2 THR 64 3HG2 THR 64 4.444 -20.842 3.677 496 3HG2 THR 64 2HG2 THR 64 4.915 -21.470 5.256 497 H GLY 65 HN GLY 65 7.106 -21.623 6.652 498 1HA GLY 65 HA1 GLY 65 6.317 -22.770 8.485 499 2HA GLY 65 HA2 GLY 65 4.955 -21.651 8.501 500 H ILE 66 HN ILE 66 8.373 -20.832 8.743 501 HA ILE 66 HA ILE 66 8.516 -20.565 11.553 502 HB ILE 66 HB ILE 66 10.177 -19.312 9.366 503 1HG1 ILE 66 2HG1 ILE 66 10.319 -21.771 9.592 504 2HG1 ILE 66 1HG1 ILE 66 11.838 -20.981 9.995 505 1HG2 ILE 66 2HG2 ILE 66 10.412 -19.092 12.346 506 2HG2 ILE 66 1HG2 ILE 66 11.831 -18.964 11.305 507 3HG2 ILE 66 3HG2 ILE 66 10.501 -17.821 11.125 508 1HD1 ILE 66 2HD1 ILE 66 11.235 -21.194 12.396 509 2HD1 ILE 66 1HD1 ILE 66 9.822 -22.130 11.908 510 3HD1 ILE 66 3HD1 ILE 66 11.443 -22.734 11.562 511 H PHE 67 HN PHE 67 8.343 -18.026 9.047 512 HA PHE 67 HA PHE 67 7.993 -15.829 10.687 513 1HB PHE 67 HB2 PHE 67 8.355 -15.642 8.268 514 2HB PHE 67 HB1 PHE 67 6.741 -16.279 7.968 515 HD1 PHE 67 HD1 PHE 67 8.382 -13.530 9.889 516 HD2 PHE 67 HD2 PHE 67 5.075 -14.770 7.516 517 HE1 PHE 67 HE1 PHE 67 7.473 -11.247 9.971 518 HE2 PHE 67 HE2 PHE 67 4.160 -12.488 7.592 519 HZ PHE 67 HZ PHE 67 5.359 -10.723 8.821 520 H THR 68 HN THR 68 5.385 -17.712 9.141 521 HA THR 68 HA THR 68 3.292 -16.383 10.469 522 HB THR 68 HB THR 68 3.158 -17.811 8.354 523 HG1 THR 68 HG1 THR 68 1.248 -17.106 9.069 524 1HG2 THR 68 2HG2 THR 68 4.149 -19.857 9.548 525 2HG2 THR 68 1HG2 THR 68 2.526 -20.072 10.203 526 3HG2 THR 68 3HG2 THR 68 2.783 -20.092 8.459 527 H ASP 69 HN ASP 69 5.445 -18.827 11.542 528 HA ASP 69 HA ASP 69 3.877 -20.164 13.438 529 1HB ASP 69 HB2 ASP 69 6.556 -20.209 12.709 530 2HB ASP 69 HB1 ASP 69 6.595 -19.673 14.385 531 H GLN 70 HN GLN 70 5.950 -17.301 13.889 532 HA GLN 70 HA GLN 70 5.118 -16.836 16.572 533 1HB GLN 70 HB2 GLN 70 6.499 -15.050 14.562 534 2HB GLN 70 HB1 GLN 70 6.212 -14.594 16.235 535 1HG GLN 70 HG2 GLN 70 8.369 -15.356 16.332 536 2HG GLN 70 HG1 GLN 70 7.470 -16.806 16.774 537 1HE2 GLN 70 1HE2 GLN 70 8.655 -15.160 13.847 538 2HE2 GLN 70 2HE2 GLN 70 9.201 -16.597 13.059 539 H VAL 71 HN VAL 71 3.877 -15.900 13.465 540 HA VAL 71 HA VAL 71 2.262 -13.717 14.304 541 HB VAL 71 HB VAL 71 1.930 -15.545 11.909 542 1HG1 VAL 71 1HG1 VAL 71 0.586 -12.958 12.650 543 2HG1 VAL 71 3HG1 VAL 71 0.638 -13.567 10.996 544 3HG1 VAL 71 2HG1 VAL 71 -0.161 -14.506 12.257 545 1HG2 VAL 71 2HG2 VAL 71 4.066 -14.110 12.195 546 2HG2 VAL 71 1HG2 VAL 71 3.202 -14.059 10.659 547 3HG2 VAL 71 3HG2 VAL 71 3.005 -12.751 11.826 548 H LEU 72 HN LEU 72 1.558 -17.111 13.566 549 HA LEU 72 HA LEU 72 -1.121 -17.159 14.370 550 1HB LEU 72 HB2 LEU 72 0.977 -19.333 14.376 551 2HB LEU 72 HB1 LEU 72 -0.718 -19.625 14.714 552 HG LEU 72 HG LEU 72 0.041 -18.296 12.144 553 1HD1 LEU 72 3HD1 LEU 72 1.521 -20.259 12.361 554 2HD1 LEU 72 2HD1 LEU 72 0.097 -21.277 12.584 555 3HD1 LEU 72 1HD1 LEU 72 0.345 -20.426 11.058 556 1HD2 LEU 72 2HD2 LEU 72 -2.316 -18.473 12.789 557 2HD2 LEU 72 1HD2 LEU 72 -1.962 -19.431 11.351 558 3HD2 LEU 72 3HD2 LEU 72 -2.148 -20.224 12.915 559 H SER 73 HN SER 73 1.903 -17.426 16.137 560 HA SER 73 HA SER 73 0.905 -18.313 18.599 561 1HB SER 73 HB2 SER 73 3.368 -17.972 17.823 562 2HB SER 73 HB1 SER 73 3.161 -16.332 18.438 563 HG SER 73 HG SER 73 3.973 -17.621 20.077 564 H VAL 74 HN VAL 74 1.108 -15.086 17.217 565 HA VAL 74 HA VAL 74 0.207 -13.726 19.567 566 HB VAL 74 HB VAL 74 0.042 -12.745 16.711 567 1HG1 VAL 74 1HG1 VAL 74 -0.150 -11.418 19.390 568 2HG1 VAL 74 3HG1 VAL 74 0.374 -10.516 17.968 569 3HG1 VAL 74 2HG1 VAL 74 -1.218 -11.272 17.995 570 1HG2 VAL 74 3HG2 VAL 74 2.347 -13.193 18.437 571 2HG2 VAL 74 2HG2 VAL 74 2.274 -12.864 16.706 572 3HG2 VAL 74 1HG2 VAL 74 2.230 -11.531 17.859 573 H LEU 75 HN LEU 75 -1.370 -15.605 17.175 574 HA LEU 75 HA LEU 75 -3.906 -14.357 17.132 575 1HB LEU 75 HB2 LEU 75 -2.835 -16.323 15.688 576 2HB LEU 75 HB1 LEU 75 -3.700 -17.311 16.850 577 HG LEU 75 HG LEU 75 -5.185 -15.127 15.459 578 1HD1 LEU 75 1HD1 LEU 75 -3.963 -16.237 13.661 579 2HD1 LEU 75 3HD1 LEU 75 -4.555 -17.802 14.217 580 3HD1 LEU 75 2HD1 LEU 75 -5.686 -16.605 13.587 581 1HD2 LEU 75 1HD2 LEU 75 -5.851 -17.858 16.539 582 2HD2 LEU 75 3HD2 LEU 75 -6.390 -16.290 17.140 583 3HD2 LEU 75 2HD2 LEU 75 -6.977 -16.888 15.590 584 H LYS 76 HN LYS 76 -2.429 -16.745 19.201 585 HA LYS 76 HA LYS 76 -4.779 -17.393 20.685 586 1HB LYS 76 HB2 LYS 76 -2.654 -18.786 20.475 587 2HB LYS 76 HB1 LYS 76 -1.936 -17.693 21.649 588 1HG LYS 76 HG2 LYS 76 -4.527 -18.991 22.321 589 2HG LYS 76 HG1 LYS 76 -3.053 -19.958 22.378 590 1HD LYS 76 HD2 LYS 76 -3.425 -17.334 23.822 591 2HD LYS 76 HD1 LYS 76 -3.665 -18.919 24.556 592 1HE LYS 76 HE2 LYS 76 -1.503 -18.903 25.079 593 2HE LYS 76 HE1 LYS 76 -1.160 -19.075 23.358 594 1HZ LYS 76 HZ1 LYS 76 -1.534 -16.447 24.685 595 2HZ LYS 76 HZ3 LYS 76 -0.022 -17.180 24.491 596 3HZ LYS 76 HZ2 LYS 76 -0.929 -16.743 23.133 597 H GLY 77 HN GLY 77 -1.975 -15.287 21.355 598 1HA GLY 77 HA1 GLY 77 -1.698 -13.551 22.830 599 2HA GLY 77 HA2 GLY 77 -2.823 -14.393 23.884 600 H GLU 78 HN GLU 78 -3.397 -13.053 20.646 601 HA GLU 78 HA GLU 78 -4.797 -10.751 21.610 602 1HB GLU 78 HB2 GLU 78 -3.619 -10.803 19.430 603 2HB GLU 78 HB1 GLU 78 -4.789 -11.974 18.842 604 1HG GLU 78 HG2 GLU 78 -5.700 -9.321 19.874 605 2HG GLU 78 HG1 GLU 78 -5.060 -9.475 18.239 606 H GLU 79 HN GLU 79 -5.893 -13.664 19.848 607 HA GLU 79 HA GLU 79 -8.614 -13.152 20.823 608 1HB GLU 79 HB2 GLU 79 -7.769 -13.691 18.292 609 2HB GLU 79 HB1 GLU 79 -8.196 -15.303 18.848 610 1HG GLU 79 HG2 GLU 79 -10.114 -14.438 17.803 611 2HG GLU 79 HG1 GLU 79 -10.422 -14.350 19.536 No H/Q in entry = 611 Start of MODEL 49 1 H1 THR 1 HT2 THR 1 4.074 15.634 21.082 2 H2 THR 1 HT1 THR 1 3.060 16.843 21.759 3 H3 THR 1 HT3 THR 1 2.843 15.202 22.196 4 HA THR 1 HA THR 1 1.164 15.858 20.685 5 HB THR 1 HB THR 1 1.953 16.427 18.315 6 HG1 THR 1 HG1 THR 1 4.333 17.213 19.622 7 1HG2 THR 1 2HG2 THR 1 1.005 18.116 19.861 8 2HG2 THR 1 1HG2 THR 1 2.645 18.482 20.396 9 3HG2 THR 1 3HG2 THR 1 2.181 18.765 18.719 10 H GLN 2 HN GLN 2 0.233 14.162 19.672 11 HA GLN 2 HA GLN 2 1.682 11.706 19.480 12 1HB GLN 2 HB2 GLN 2 -0.923 12.287 19.900 13 2HB GLN 2 HB1 GLN 2 -0.977 11.911 18.184 14 1HG GLN 2 HG2 GLN 2 0.081 10.109 20.351 15 2HG GLN 2 HG1 GLN 2 -1.483 9.963 19.550 16 1HE2 GLN 2 1HE2 GLN 2 1.726 9.009 19.529 17 2HE2 GLN 2 2HE2 GLN 2 1.775 8.296 17.957 18 H GLN 3 HN GLN 3 -0.101 13.592 17.019 19 HA GLN 3 HA GLN 3 0.163 13.834 14.784 20 1HB GLN 3 HB2 GLN 3 3.044 13.054 15.269 21 2HB GLN 3 HB1 GLN 3 2.408 13.941 13.891 22 1HG GLN 3 HG2 GLN 3 2.111 15.882 15.107 23 2HG GLN 3 HG1 GLN 3 2.083 15.031 16.652 24 1HE2 GLN 3 1HE2 GLN 3 4.119 14.087 17.387 25 2HE2 GLN 3 2HE2 GLN 3 5.599 14.880 16.981 26 HA PRO 4 HA PRO 4 -0.090 9.102 14.456 27 1HB PRO 4 HB2 PRO 4 -2.637 9.222 13.373 28 2HB PRO 4 HB1 PRO 4 -2.274 8.926 15.075 29 1HG PRO 4 HG2 PRO 4 -3.062 11.469 13.718 30 2HG PRO 4 HG1 PRO 4 -3.561 10.838 15.299 31 1HD PRO 4 HD2 PRO 4 -1.727 12.779 15.087 32 2HD PRO 4 HD1 PRO 4 -1.596 11.516 16.329 33 H GLN 5 HN GLN 5 -0.979 11.797 12.350 34 HA GLN 5 HA GLN 5 -0.822 10.307 9.913 35 1HB GLN 5 HB2 GLN 5 -2.159 12.336 10.024 36 2HB GLN 5 HB1 GLN 5 -0.742 13.286 10.445 37 1HG GLN 5 HG2 GLN 5 -0.661 11.766 7.902 38 2HG GLN 5 HG1 GLN 5 -1.713 13.178 7.980 39 1HE2 GLN 5 1HE2 GLN 5 -0.621 15.165 8.938 40 2HE2 GLN 5 2HE2 GLN 5 0.990 15.484 8.403 41 H GLN 6 HN GLN 6 1.326 12.682 11.483 42 HA GLN 6 HA GLN 6 3.447 12.395 9.617 43 1HB GLN 6 HB2 GLN 6 3.482 13.421 12.463 44 2HB GLN 6 HB1 GLN 6 4.797 13.601 11.312 45 1HG GLN 6 HG2 GLN 6 3.595 15.103 9.991 46 2HG GLN 6 HG1 GLN 6 2.056 14.653 10.722 47 1HE2 GLN 6 1HE2 GLN 6 5.145 16.233 11.373 48 2HE2 GLN 6 2HE2 GLN 6 4.547 17.294 12.597 49 H ASP 7 HN ASP 7 5.757 11.944 10.927 50 HA ASP 7 HA ASP 7 5.790 9.108 11.199 51 1HB ASP 7 HB2 ASP 7 7.700 10.314 10.254 52 2HB ASP 7 HB1 ASP 7 7.949 11.150 11.782 53 H GLU 8 HN GLU 8 5.316 7.959 12.948 54 HA GLU 8 HA GLU 8 4.798 9.161 15.474 55 1HB GLU 8 HB2 GLU 8 5.085 6.232 14.775 56 2HB GLU 8 HB1 GLU 8 4.379 6.870 16.252 57 1HG GLU 8 HG2 GLU 8 3.256 7.631 13.588 58 2HG GLU 8 HG1 GLU 8 2.836 6.090 14.332 59 H MET 9 HN MET 9 5.812 8.548 17.518 60 HA MET 9 HA MET 9 8.629 8.884 17.431 61 1HB MET 9 HB2 MET 9 6.996 9.629 19.264 62 2HB MET 9 HB1 MET 9 7.081 7.973 19.849 63 1HG MET 9 HG2 MET 9 9.698 8.517 19.673 64 2HG MET 9 HG1 MET 9 9.077 10.140 19.973 65 1HE MET 9 HE3 MET 9 8.784 6.421 21.164 66 2HE MET 9 HE2 MET 9 10.388 7.005 21.606 67 3HE MET 9 HE1 MET 9 9.217 6.608 22.864 68 HA PRO 10 HA PRO 10 9.537 4.510 16.934 69 1HB PRO 10 HB2 PRO 10 12.223 4.777 16.728 70 2HB PRO 10 HB1 PRO 10 11.123 5.168 15.401 71 1HG PRO 10 HG2 PRO 10 12.450 6.996 17.365 72 2HG PRO 10 HG1 PRO 10 12.239 7.195 15.616 73 1HD PRO 10 HD2 PRO 10 10.649 8.422 17.446 74 2HD PRO 10 HD1 PRO 10 10.078 7.946 15.834 75 H SER 11 HN SER 11 10.431 2.860 18.198 76 HA SER 11 HA SER 11 10.638 3.422 20.988 77 1HB SER 11 HB2 SER 11 9.711 1.295 19.891 78 2HB SER 11 HB1 SER 11 11.393 0.807 19.688 79 HG SER 11 HG SER 11 11.474 0.334 21.732 80 HA PRO 12 HA PRO 12 15.009 4.176 21.154 81 1HB PRO 12 HB2 PRO 12 15.364 3.942 23.828 82 2HB PRO 12 HB1 PRO 12 14.572 5.337 23.086 83 1HG PRO 12 HG2 PRO 12 13.348 2.941 24.400 84 2HG PRO 12 HG1 PRO 12 12.903 4.651 24.554 85 1HD PRO 12 HD2 PRO 12 11.552 2.919 22.961 86 2HD PRO 12 HD1 PRO 12 11.709 4.648 22.587 87 H THR 13 HN THR 13 13.548 1.187 22.058 88 HA THR 13 HA THR 13 15.893 -0.155 22.944 89 HB THR 13 HB THR 13 14.469 -2.238 22.463 90 HG1 THR 13 HG1 THR 13 12.540 -1.970 21.666 91 1HG2 THR 13 1HG2 THR 13 14.625 -1.241 24.699 92 2HG2 THR 13 3HG2 THR 13 13.279 -0.174 24.299 93 3HG2 THR 13 2HG2 THR 13 13.031 -1.919 24.367 94 H PHE 14 HN PHE 14 14.014 -1.178 20.090 95 HA PHE 14 HA PHE 14 16.569 -1.743 18.756 96 1HB PHE 14 HB2 PHE 14 14.498 -3.427 19.180 97 2HB PHE 14 HB1 PHE 14 14.074 -2.812 17.586 98 HD1 PHE 14 HD1 PHE 14 15.516 -3.229 15.667 99 HD2 PHE 14 HD2 PHE 14 16.422 -4.825 19.508 100 HE1 PHE 14 HE1 PHE 14 17.116 -4.790 14.638 101 HE2 PHE 14 HE2 PHE 14 18.023 -6.386 18.485 102 HZ PHE 14 HZ PHE 14 18.373 -6.370 16.048 103 H LEU 15 HN LEU 15 13.632 0.129 18.419 104 HA LEU 15 HA LEU 15 13.779 0.653 15.660 105 1HB LEU 15 HB2 LEU 15 12.134 1.428 17.793 106 2HB LEU 15 HB1 LEU 15 12.765 2.923 17.130 107 HG LEU 15 HG LEU 15 10.635 2.390 16.108 108 1HD1 LEU 15 3HD1 LEU 15 12.539 3.412 14.775 109 2HD1 LEU 15 2HD1 LEU 15 12.741 1.818 14.045 110 3HD1 LEU 15 1HD1 LEU 15 11.220 2.690 13.853 111 1HD2 LEU 15 1HD2 LEU 15 10.814 -0.077 16.454 112 2HD2 LEU 15 3HD2 LEU 15 10.231 0.397 14.859 113 3HD2 LEU 15 2HD2 LEU 15 11.899 -0.137 15.066 114 H THR 16 HN THR 16 15.619 1.931 18.334 115 HA THR 16 HA THR 16 16.483 4.362 17.252 116 HB THR 16 HB THR 16 17.864 2.420 19.112 117 HG1 THR 16 HG1 THR 16 17.100 3.735 20.675 118 1HG2 THR 16 2HG2 THR 16 18.735 5.173 18.290 119 2HG2 THR 16 1HG2 THR 16 19.248 4.404 19.791 120 3HG2 THR 16 3HG2 THR 16 19.663 3.674 18.241 121 H GLN 17 HN GLN 17 17.752 1.076 16.828 122 HA GLN 17 HA GLN 17 20.032 1.744 15.321 123 1HB GLN 17 HB2 GLN 17 18.349 -0.763 15.399 124 2HB GLN 17 HB1 GLN 17 19.835 -0.636 14.469 125 1HG GLN 17 HG2 GLN 17 21.142 -0.818 16.280 126 2HG GLN 17 HG1 GLN 17 20.071 0.161 17.281 127 1HE2 GLN 17 1HE2 GLN 17 18.869 -0.842 18.759 128 2HE2 GLN 17 2HE2 GLN 17 18.622 -2.549 18.857 129 H VAL 18 HN VAL 18 16.818 0.648 14.250 130 HA VAL 18 HA VAL 18 16.850 0.504 11.616 131 HB VAL 18 HB VAL 18 14.834 2.201 13.093 132 1HG1 VAL 18 3HG1 VAL 18 14.796 0.949 10.359 133 2HG1 VAL 18 2HG1 VAL 18 13.324 1.418 11.211 134 3HG1 VAL 18 1HG1 VAL 18 14.529 2.637 10.794 135 1HG2 VAL 18 1HG2 VAL 18 15.023 -0.756 12.581 136 2HG2 VAL 18 3HG2 VAL 18 14.860 0.081 14.125 137 3HG2 VAL 18 2HG2 VAL 18 13.505 0.039 12.997 138 H LYS 19 HN LYS 19 16.694 3.702 13.207 139 HA LYS 19 HA LYS 19 16.684 5.314 10.971 140 1HB LYS 19 HB2 LYS 19 17.994 5.805 13.647 141 2HB LYS 19 HB1 LYS 19 17.768 7.046 12.424 142 1HG LYS 19 HG2 LYS 19 15.661 7.384 13.036 143 2HG LYS 19 HG1 LYS 19 15.295 5.659 12.991 144 1HD LYS 19 HD2 LYS 19 15.016 5.944 15.216 145 2HD LYS 19 HD1 LYS 19 16.771 5.768 15.242 146 1HE LYS 19 HE2 LYS 19 16.509 7.690 16.470 147 2HE LYS 19 HE1 LYS 19 16.735 8.357 14.854 148 1HZ LYS 19 HZ3 LYS 19 14.271 8.432 14.668 149 2HZ LYS 19 HZ2 LYS 19 14.170 7.996 16.298 150 3HZ LYS 19 HZ1 LYS 19 14.901 9.455 15.860 151 H GLU 20 HN GLU 20 19.570 4.214 12.755 152 HA GLU 20 HA GLU 20 21.445 5.376 10.997 153 1HB GLU 20 HB2 GLU 20 21.687 3.069 12.926 154 2HB GLU 20 HB1 GLU 20 23.052 3.730 12.038 155 1HG GLU 20 HG2 GLU 20 23.260 4.871 13.993 156 2HG GLU 20 HG1 GLU 20 22.233 5.989 13.099 157 H SER 21 HN SER 21 19.672 2.392 10.904 158 HA SER 21 HA SER 21 21.252 0.965 9.057 159 1HB SER 21 HB2 SER 21 18.246 0.757 9.294 160 2HB SER 21 HB1 SER 21 19.379 -0.492 8.781 161 HG SER 21 HG SER 21 18.595 -0.629 11.009 162 H LEU 22 HN LEU 22 18.735 3.396 8.645 163 HA LEU 22 HA LEU 22 18.457 3.074 5.828 164 1HB LEU 22 HB2 LEU 22 17.156 4.516 7.834 165 2HB LEU 22 HB1 LEU 22 17.835 5.743 6.783 166 HG LEU 22 HG LEU 22 15.560 5.236 6.119 167 1HD1 LEU 22 1HD1 LEU 22 17.285 5.774 4.397 168 2HD1 LEU 22 3HD1 LEU 22 17.445 4.043 4.096 169 3HD1 LEU 22 2HD1 LEU 22 15.909 4.852 3.791 170 1HD2 LEU 22 2HD2 LEU 22 15.562 2.904 7.012 171 2HD2 LEU 22 1HD2 LEU 22 14.845 3.069 5.409 172 3HD2 LEU 22 3HD2 LEU 22 16.473 2.414 5.584 173 H SER 23 HN SER 23 20.574 4.996 7.880 174 HA SER 23 HA SER 23 21.507 6.823 5.978 175 1HB SER 23 HB2 SER 23 23.031 5.622 8.304 176 2HB SER 23 HB1 SER 23 23.468 7.096 7.439 177 HG SER 23 HG SER 23 21.466 6.654 9.311 178 H SER 24 HN SER 24 23.026 3.765 7.017 179 HA SER 24 HA SER 24 25.002 3.751 4.998 180 1HB SER 24 HB2 SER 24 23.839 1.486 6.633 181 2HB SER 24 HB1 SER 24 25.254 1.332 5.591 182 HG SER 24 HG SER 24 24.974 2.616 8.042 183 H TYR 25 HN TYR 25 21.645 3.074 4.883 184 HA TYR 25 HA TYR 25 21.733 1.249 2.665 185 1HB TYR 25 HB2 TYR 25 19.848 1.109 4.157 186 2HB TYR 25 HB1 TYR 25 19.471 2.812 3.925 187 HD1 TYR 25 HD1 TYR 25 19.451 -0.506 2.301 188 HD2 TYR 25 HD2 TYR 25 18.165 3.543 2.071 189 HE1 TYR 25 HE1 TYR 25 17.931 -1.100 0.463 190 HE2 TYR 25 HE2 TYR 25 16.640 2.961 0.234 191 HH TYR 25 HH TYR 25 15.488 0.313 -0.434 192 H TRP 26 HN TRP 26 21.124 4.721 3.092 193 HA TRP 26 HA TRP 26 20.439 5.285 0.420 194 1HB TRP 26 HB2 TRP 26 19.944 6.865 2.198 195 2HB TRP 26 HB1 TRP 26 21.660 7.077 2.529 196 HD1 TRP 26 HD1 TRP 26 22.512 9.295 1.603 197 HE1 TRP 26 HE1 TRP 26 22.007 10.770 -0.445 198 HE3 TRP 26 HE3 TRP 26 18.862 6.448 -0.571 199 HZ2 TRP 26 HZ2 TRP 26 20.290 10.731 -2.686 200 HZ3 TRP 26 HZ3 TRP 26 17.842 7.238 -2.666 201 HH2 TRP 26 HH2 TRP 26 18.541 9.335 -3.699 202 H GLU 27 HN GLU 27 23.535 5.146 2.081 203 HA GLU 27 HA GLU 27 25.302 6.345 0.421 204 1HB GLU 27 HB2 GLU 27 25.421 4.003 2.201 205 2HB GLU 27 HB1 GLU 27 26.668 4.035 0.963 206 1HG GLU 27 HG2 GLU 27 27.600 5.092 2.835 207 2HG GLU 27 HG1 GLU 27 27.180 6.390 1.718 208 H SER 28 HN SER 28 24.311 2.943 0.068 209 HA SER 28 HA SER 28 25.321 2.891 -2.659 210 1HB SER 28 HB2 SER 28 25.561 0.998 -0.901 211 2HB SER 28 HB1 SER 28 23.892 0.611 -1.315 212 HG SER 28 HG SER 28 26.211 0.421 -2.873 213 H ALA 29 HN ALA 29 22.369 3.564 -1.080 214 HA ALA 29 HA ALA 29 20.493 2.485 -2.876 215 1HB ALA 29 HB3 ALA 29 19.861 3.398 -0.700 216 2HB ALA 29 HB1 ALA 29 18.927 4.134 -2.001 217 3HB ALA 29 HB2 ALA 29 20.259 5.020 -1.263 218 H LYS 30 HN LYS 30 22.322 5.515 -2.976 219 HA LYS 30 HA LYS 30 20.994 6.819 -5.026 220 1HB LYS 30 HB2 LYS 30 23.910 6.794 -4.268 221 2HB LYS 30 HB1 LYS 30 23.290 7.820 -5.555 222 1HG LYS 30 HG2 LYS 30 21.948 9.055 -4.056 223 2HG LYS 30 HG1 LYS 30 22.191 7.883 -2.760 224 1HD LYS 30 HD2 LYS 30 23.630 9.610 -2.174 225 2HD LYS 30 HD1 LYS 30 24.695 8.476 -3.006 226 1HE LYS 30 HE2 LYS 30 23.401 10.472 -4.736 227 2HE LYS 30 HE1 LYS 30 24.529 11.133 -3.555 228 1HZ LYS 30 HZ3 LYS 30 26.217 9.592 -4.388 229 2HZ LYS 30 HZ2 LYS 30 25.131 9.015 -5.550 230 3HZ LYS 30 HZ1 LYS 30 25.658 10.620 -5.610 231 H THR 31 HN THR 31 23.702 4.528 -5.344 232 HA THR 31 HA THR 31 24.011 4.491 -8.081 233 HB THR 31 HB THR 31 24.070 1.974 -6.412 234 HG1 THR 31 HG1 THR 31 25.457 2.979 -5.212 235 1HG2 THR 31 2HG2 THR 31 25.754 2.887 -8.732 236 2HG2 THR 31 1HG2 THR 31 26.004 1.410 -7.802 237 3HG2 THR 31 3HG2 THR 31 24.533 1.613 -8.753 238 H ALA 32 HN ALA 32 21.582 2.917 -6.088 239 HA ALA 32 HA ALA 32 20.389 1.335 -8.094 240 1HB ALA 32 HB3 ALA 32 18.738 2.497 -5.895 241 2HB ALA 32 HB2 ALA 32 18.737 0.865 -6.563 242 3HB ALA 32 HB1 ALA 32 20.040 1.378 -5.493 243 H ALA 33 HN ALA 33 19.769 4.666 -6.996 244 HA ALA 33 HA ALA 33 17.502 5.265 -8.445 245 1HB ALA 33 HB2 ALA 33 18.769 6.749 -6.806 246 2HB ALA 33 HB1 ALA 33 19.763 7.223 -8.183 247 3HB ALA 33 HB3 ALA 33 18.029 7.543 -8.195 248 H GLN 34 HN GLN 34 20.859 5.659 -9.562 249 HA GLN 34 HA GLN 34 20.153 6.411 -12.197 250 1HB GLN 34 HB2 GLN 34 22.691 5.160 -11.118 251 2HB GLN 34 HB1 GLN 34 22.517 5.784 -12.753 252 1HG GLN 34 HG2 GLN 34 22.884 7.870 -12.095 253 2HG GLN 34 HG1 GLN 34 21.726 7.739 -10.772 254 1HE2 GLN 34 1HE2 GLN 34 22.447 7.070 -8.732 255 2HE2 GLN 34 2HE2 GLN 34 24.120 7.100 -8.304 256 H ASN 35 HN ASN 35 20.810 3.328 -10.629 257 HA ASN 35 HA ASN 35 20.804 1.707 -12.937 258 1HB ASN 35 HB2 ASN 35 21.476 1.133 -10.480 259 2HB ASN 35 HB1 ASN 35 19.777 0.705 -10.300 260 1HD2 ASN 35 1HD2 ASN 35 18.955 -1.068 -11.420 261 2HD2 ASN 35 2HD2 ASN 35 19.987 -2.255 -12.137 262 H LEU 36 HN LEU 36 18.239 3.165 -11.148 263 HA LEU 36 HA LEU 36 16.067 1.552 -11.854 264 1HB LEU 36 HB2 LEU 36 16.205 3.646 -10.286 265 2HB LEU 36 HB1 LEU 36 15.838 4.544 -11.747 266 HG LEU 36 HG LEU 36 14.041 2.271 -11.152 267 1HD1 LEU 36 2HD1 LEU 36 14.384 3.171 -8.914 268 2HD1 LEU 36 1HD1 LEU 36 14.007 4.791 -9.496 269 3HD1 LEU 36 3HD1 LEU 36 12.764 3.541 -9.504 270 1HD2 LEU 36 2HD2 LEU 36 13.697 3.743 -13.072 271 2HD2 LEU 36 1HD2 LEU 36 12.360 3.865 -11.926 272 3HD2 LEU 36 3HD2 LEU 36 13.586 5.134 -11.992 273 H TYR 37 HN TYR 37 17.590 4.309 -13.413 274 HA TYR 37 HA TYR 37 15.967 4.362 -15.738 275 1HB TYR 37 HB2 TYR 37 17.624 6.154 -14.858 276 2HB TYR 37 HB1 TYR 37 18.853 5.220 -15.700 277 HD1 TYR 37 HD1 TYR 37 15.722 7.142 -16.173 278 HD2 TYR 37 HD2 TYR 37 19.116 5.387 -18.047 279 HE1 TYR 37 HE1 TYR 37 15.159 8.303 -18.265 280 HE2 TYR 37 HE2 TYR 37 18.563 6.545 -20.144 281 HH TYR 37 HH TYR 37 16.967 8.989 -20.533 282 H GLU 38 HN GLU 38 18.904 2.653 -14.829 283 HA GLU 38 HA GLU 38 19.632 1.621 -17.322 284 1HB GLU 38 HB2 GLU 38 20.200 0.909 -14.508 285 2HB GLU 38 HB1 GLU 38 20.456 -0.366 -15.690 286 1HG GLU 38 HG2 GLU 38 22.526 0.670 -15.511 287 2HG GLU 38 HG1 GLU 38 21.833 1.351 -16.982 288 H LYS 39 HN LYS 39 17.677 0.093 -14.794 289 HA LYS 39 HA LYS 39 17.060 -2.236 -16.220 290 1HB LYS 39 HB2 LYS 39 16.365 -1.064 -13.695 291 2HB LYS 39 HB1 LYS 39 14.921 -1.718 -14.453 292 1HG LYS 39 HG2 LYS 39 16.736 -3.729 -14.839 293 2HG LYS 39 HG1 LYS 39 17.204 -3.089 -13.263 294 1HD LYS 39 HD2 LYS 39 15.509 -4.186 -12.330 295 2HD LYS 39 HD1 LYS 39 14.376 -3.251 -13.305 296 1HE LYS 39 HE2 LYS 39 14.239 -4.887 -14.945 297 2HE LYS 39 HE1 LYS 39 15.773 -5.621 -14.480 298 1HZ LYS 39 HZ3 LYS 39 14.665 -6.330 -12.385 299 2HZ LYS 39 HZ2 LYS 39 13.194 -5.786 -13.020 300 3HZ LYS 39 HZ1 LYS 39 14.025 -7.048 -13.777 301 H THR 40 HN THR 40 15.928 0.926 -16.846 302 HA THR 40 HA THR 40 13.273 0.221 -17.652 303 HB THR 40 HB THR 40 13.088 2.379 -18.646 304 HG1 THR 40 HG1 THR 40 15.901 2.653 -18.464 305 1HG2 THR 40 3HG2 THR 40 13.278 2.386 -16.167 306 2HG2 THR 40 2HG2 THR 40 14.977 2.810 -16.357 307 3HG2 THR 40 1HG2 THR 40 13.726 3.901 -16.949 308 H TYR 41 HN TYR 41 16.244 0.829 -19.469 309 HA TYR 41 HA TYR 41 15.218 0.043 -21.988 310 1HB TYR 41 HB2 TYR 41 17.260 1.451 -21.627 311 2HB TYR 41 HB1 TYR 41 18.109 0.001 -21.103 312 HD1 TYR 41 HD1 TYR 41 18.988 -1.537 -22.680 313 HD2 TYR 41 HD2 TYR 41 16.445 1.611 -23.991 314 HE1 TYR 41 HE1 TYR 41 19.575 -2.043 -25.011 315 HE2 TYR 41 HE2 TYR 41 17.025 1.113 -26.328 316 HH TYR 41 HH TYR 41 19.379 -0.204 -27.399 317 H LEU 42 HN LEU 42 16.918 -1.725 -19.439 318 HA LEU 42 HA LEU 42 17.299 -4.119 -20.920 319 1HB LEU 42 HB2 LEU 42 17.255 -3.640 -17.943 320 2HB LEU 42 HB1 LEU 42 17.773 -5.133 -18.703 321 HG LEU 42 HG LEU 42 19.122 -2.565 -19.440 322 1HD1 LEU 42 2HD1 LEU 42 19.062 -2.662 -16.967 323 2HD1 LEU 42 1HD1 LEU 42 19.849 -4.239 -17.042 324 3HD1 LEU 42 3HD1 LEU 42 20.689 -2.806 -17.632 325 1HD2 LEU 42 3HD2 LEU 42 19.607 -4.588 -20.720 326 2HD2 LEU 42 2HD2 LEU 42 21.018 -4.057 -19.805 327 3HD2 LEU 42 1HD2 LEU 42 20.061 -5.424 -19.235 328 HA PRO 43 HA PRO 43 13.255 -5.913 -20.360 329 1HB PRO 43 HB2 PRO 43 13.675 -8.201 -21.652 330 2HB PRO 43 HB1 PRO 43 13.730 -6.656 -22.509 331 1HG PRO 43 HG2 PRO 43 15.968 -8.412 -21.623 332 2HG PRO 43 HG1 PRO 43 15.832 -7.413 -23.079 333 1HD PRO 43 HD2 PRO 43 17.184 -6.736 -20.700 334 2HD PRO 43 HD1 PRO 43 16.788 -5.641 -22.039 335 H ALA 44 HN ALA 44 15.480 -6.382 -18.236 336 HA ALA 44 HA ALA 44 15.324 -9.060 -17.357 337 1HB ALA 44 HB2 ALA 44 16.275 -6.499 -16.199 338 2HB ALA 44 HB1 ALA 44 15.997 -7.850 -15.102 339 3HB ALA 44 HB3 ALA 44 17.130 -8.022 -16.442 340 H VAL 45 HN VAL 45 13.044 -6.525 -17.156 341 HA VAL 45 HA VAL 45 11.737 -6.702 -14.810 342 HB VAL 45 HB VAL 45 10.370 -6.624 -17.503 343 1HG1 VAL 45 2HG1 VAL 45 9.424 -5.946 -14.730 344 2HG1 VAL 45 1HG1 VAL 45 8.643 -5.316 -16.180 345 3HG1 VAL 45 3HG1 VAL 45 8.699 -7.056 -15.893 346 1HG2 VAL 45 1HG2 VAL 45 11.664 -4.517 -15.809 347 2HG2 VAL 45 3HG2 VAL 45 11.854 -4.829 -17.534 348 3HG2 VAL 45 2HG2 VAL 45 10.363 -4.111 -16.926 349 H ASP 46 HN ASP 46 10.751 -8.751 -17.576 350 HA ASP 46 HA ASP 46 9.063 -10.403 -16.042 351 1HB ASP 46 HB2 ASP 46 9.092 -10.075 -18.579 352 2HB ASP 46 HB1 ASP 46 10.396 -11.258 -18.606 353 H GLU 47 HN GLU 47 12.501 -10.570 -16.693 354 HA GLU 47 HA GLU 47 12.866 -13.299 -15.984 355 1HB GLU 47 HB2 GLU 47 14.638 -12.414 -17.197 356 2HB GLU 47 HB1 GLU 47 14.665 -10.922 -16.274 357 1HG GLU 47 HG2 GLU 47 15.380 -13.459 -14.896 358 2HG GLU 47 HG1 GLU 47 16.539 -12.742 -16.013 359 H LYS 48 HN LYS 48 13.050 -10.282 -14.122 360 HA LYS 48 HA LYS 48 13.990 -11.360 -11.714 361 1HB LYS 48 HB2 LYS 48 13.377 -8.851 -12.600 362 2HB LYS 48 HB1 LYS 48 12.078 -9.137 -11.450 363 1HG LYS 48 HG2 LYS 48 13.746 -8.104 -10.198 364 2HG LYS 48 HG1 LYS 48 13.915 -9.817 -9.811 365 1HD LYS 48 HD2 LYS 48 15.499 -8.990 -12.121 366 2HD LYS 48 HD1 LYS 48 15.937 -8.144 -10.637 367 1HE LYS 48 HE2 LYS 48 15.653 -11.136 -10.782 368 2HE LYS 48 HE1 LYS 48 17.172 -10.308 -11.122 369 1HZ LYS 48 HZ3 LYS 48 17.027 -9.318 -8.879 370 2HZ LYS 48 HZ2 LYS 48 15.658 -10.262 -8.568 371 3HZ LYS 48 HZ1 LYS 48 17.151 -11.005 -8.849 372 H LEU 49 HN LEU 49 10.810 -11.448 -13.137 373 HA LEU 49 HA LEU 49 9.293 -11.929 -10.807 374 1HB LEU 49 HB2 LEU 49 8.900 -12.263 -13.720 375 2HB LEU 49 HB1 LEU 49 7.920 -13.302 -12.705 376 HG LEU 49 HG LEU 49 6.678 -11.310 -13.276 377 1HD1 LEU 49 3HD1 LEU 49 6.515 -12.339 -10.969 378 2HD1 LEU 49 2HD1 LEU 49 7.517 -11.001 -10.408 379 3HD1 LEU 49 1HD1 LEU 49 5.941 -10.680 -11.131 380 1HD2 LEU 49 2HD2 LEU 49 8.970 -9.795 -12.032 381 2HD2 LEU 49 1HD2 LEU 49 8.504 -9.793 -13.733 382 3HD2 LEU 49 3HD2 LEU 49 7.431 -9.087 -12.524 383 H ARG 50 HN ARG 50 10.294 -14.276 -13.303 384 HA ARG 50 HA ARG 50 9.818 -16.553 -11.704 385 1HB ARG 50 HB2 ARG 50 10.268 -16.236 -14.317 386 2HB ARG 50 HB1 ARG 50 11.904 -16.654 -13.831 387 1HG ARG 50 HG2 ARG 50 11.365 -18.797 -13.819 388 2HG ARG 50 HG1 ARG 50 10.123 -18.493 -12.603 389 1HD ARG 50 HD2 ARG 50 8.651 -17.742 -14.552 390 2HD ARG 50 HD1 ARG 50 9.855 -18.499 -15.594 391 HE ARG 50 HE ARG 50 9.070 -20.332 -13.614 392 1HH1 ARG 50 1HH1 ARG 50 7.787 -18.761 -16.468 393 2HH1 ARG 50 2HH1 ARG 50 6.697 -20.054 -16.839 394 1HH2 ARG 50 1HH2 ARG 50 7.632 -22.031 -14.107 395 2HH2 ARG 50 2HH2 ARG 50 6.608 -21.911 -15.499 396 H ASP 51 HN ASP 51 12.556 -14.402 -12.059 397 HA ASP 51 HA ASP 51 14.606 -15.957 -10.996 398 1HB ASP 51 HB2 ASP 51 14.948 -13.746 -12.043 399 2HB ASP 51 HB1 ASP 51 14.189 -12.978 -10.654 400 H LEU 52 HN LEU 52 12.600 -13.585 -9.240 401 HA LEU 52 HA LEU 52 13.519 -14.366 -6.678 402 1HB LEU 52 HB2 LEU 52 10.990 -12.909 -7.452 403 2HB LEU 52 HB1 LEU 52 11.638 -13.019 -5.827 404 HG LEU 52 HG LEU 52 13.297 -11.828 -8.020 405 1HD1 LEU 52 3HD1 LEU 52 11.132 -10.685 -8.110 406 2HD1 LEU 52 2HD1 LEU 52 11.244 -10.347 -6.383 407 3HD1 LEU 52 1HD1 LEU 52 12.407 -9.631 -7.499 408 1HD2 LEU 52 3HD2 LEU 52 14.361 -12.328 -5.882 409 2HD2 LEU 52 2HD2 LEU 52 14.274 -10.588 -6.156 410 3HD2 LEU 52 1HD2 LEU 52 13.146 -11.364 -5.044 411 H TYR 53 HN TYR 53 11.053 -15.612 -8.784 412 HA TYR 53 HA TYR 53 9.459 -16.920 -6.836 413 1HB TYR 53 HB2 TYR 53 9.684 -16.902 -9.768 414 2HB TYR 53 HB1 TYR 53 9.146 -18.438 -9.100 415 HD1 TYR 53 HD1 TYR 53 6.862 -18.694 -9.167 416 HD2 TYR 53 HD2 TYR 53 8.451 -14.828 -8.368 417 HE1 TYR 53 HE1 TYR 53 4.580 -17.805 -8.956 418 HE2 TYR 53 HE2 TYR 53 6.174 -13.929 -8.154 419 HH TYR 53 HH TYR 53 3.676 -15.378 -7.510 420 H SER 54 HN SER 54 12.095 -18.079 -8.936 421 HA SER 54 HA SER 54 12.138 -20.729 -8.009 422 1HB SER 54 HB2 SER 54 13.304 -19.756 -10.070 423 2HB SER 54 HB1 SER 54 14.578 -19.230 -8.969 424 HG SER 54 HG SER 54 15.176 -21.220 -9.700 425 H LYS 55 HN LYS 55 13.964 -17.866 -6.951 426 HA LYS 55 HA LYS 55 15.548 -19.146 -5.013 427 1HB LYS 55 HB2 LYS 55 15.773 -16.775 -5.981 428 2HB LYS 55 HB1 LYS 55 14.581 -16.302 -4.779 429 1HG LYS 55 HG2 LYS 55 16.142 -17.313 -3.051 430 2HG LYS 55 HG1 LYS 55 17.352 -17.364 -4.335 431 1HD LYS 55 HD2 LYS 55 17.054 -14.930 -4.659 432 2HD LYS 55 HD1 LYS 55 15.928 -14.912 -3.299 433 1HE LYS 55 HE2 LYS 55 17.724 -15.767 -1.840 434 2HE LYS 55 HE1 LYS 55 18.840 -15.699 -3.204 435 1HZ LYS 55 HZ1 LYS 55 18.476 -13.305 -3.324 436 2HZ LYS 55 HZ3 LYS 55 17.429 -13.380 -1.996 437 3HZ LYS 55 HZ2 LYS 55 19.066 -13.755 -1.804 438 H SER 56 HN SER 56 12.449 -17.411 -4.688 439 HA SER 56 HA SER 56 12.151 -17.789 -1.920 440 1HB SER 56 HB2 SER 56 9.833 -17.137 -2.237 441 2HB SER 56 HB1 SER 56 10.875 -16.133 -3.245 442 HG SER 56 HG SER 56 9.523 -16.738 -4.750 443 H THR 57 HN THR 57 11.791 -20.105 -4.461 444 HA THR 57 HA THR 57 9.781 -21.745 -3.441 445 HB THR 57 HB THR 57 12.263 -22.650 -4.916 446 HG1 THR 57 HG1 THR 57 9.798 -21.645 -5.891 447 1HG2 THR 57 1HG2 THR 57 9.526 -23.877 -4.704 448 2HG2 THR 57 3HG2 THR 57 10.770 -24.382 -5.848 449 3HG2 THR 57 2HG2 THR 57 11.047 -24.548 -4.115 450 H ALA 58 HN ALA 58 13.312 -22.067 -2.986 451 HA ALA 58 HA ALA 58 12.889 -23.966 -0.824 452 1HB ALA 58 HB3 ALA 58 14.667 -24.394 -2.437 453 2HB ALA 58 HB2 ALA 58 15.450 -22.879 -1.989 454 3HB ALA 58 HB1 ALA 58 15.324 -24.187 -0.813 455 H ALA 59 HN ALA 59 14.219 -20.703 -1.265 456 HA ALA 59 HA ALA 59 15.073 -20.292 1.381 457 1HB ALA 59 HB3 ALA 59 15.122 -17.919 0.820 458 2HB ALA 59 HB1 ALA 59 14.181 -18.237 -0.637 459 3HB ALA 59 HB2 ALA 59 15.809 -18.895 -0.477 460 H MET 60 HN MET 60 12.164 -18.884 -0.164 461 HA MET 60 HA MET 60 11.021 -17.973 2.229 462 1HB MET 60 HB2 MET 60 10.470 -17.515 -0.337 463 2HB MET 60 HB1 MET 60 9.217 -18.706 -0.016 464 1HG MET 60 HG2 MET 60 8.186 -16.663 0.383 465 2HG MET 60 HG1 MET 60 8.596 -17.259 1.990 466 1HE MET 60 HE2 MET 60 9.360 -14.730 -0.838 467 2HE MET 60 HE1 MET 60 8.177 -14.133 0.324 468 3HE MET 60 HE3 MET 60 9.740 -13.331 0.167 469 H SER 61 HN SER 61 11.201 -21.183 1.029 470 HA SER 61 HA SER 61 8.777 -22.207 2.070 471 1HB SER 61 HB2 SER 61 11.124 -23.256 0.774 472 2HB SER 61 HB1 SER 61 10.695 -24.275 2.147 473 HG SER 61 HG SER 61 9.318 -23.797 -0.215 474 H THR 62 HN THR 62 11.661 -21.202 3.629 475 HA THR 62 HA THR 62 11.040 -22.751 6.040 476 HB THR 62 HB THR 62 13.253 -21.932 6.859 477 HG1 THR 62 HG1 THR 62 13.935 -20.231 5.835 478 1HG2 THR 62 1HG2 THR 62 13.100 -24.091 5.676 479 2HG2 THR 62 3HG2 THR 62 13.473 -23.254 4.168 480 3HG2 THR 62 2HG2 THR 62 14.658 -23.288 5.474 481 H TYR 63 HN TYR 63 11.737 -19.410 5.016 482 HA TYR 63 HA TYR 63 11.102 -18.199 7.468 483 1HB TYR 63 HB2 TYR 63 12.434 -17.184 5.559 484 2HB TYR 63 HB1 TYR 63 10.895 -16.895 4.752 485 HD1 TYR 63 HD1 TYR 63 12.701 -16.184 7.936 486 HD2 TYR 63 HD2 TYR 63 9.729 -14.921 5.165 487 HE1 TYR 63 HE1 TYR 63 12.465 -14.066 9.164 488 HE2 TYR 63 HE2 TYR 63 9.484 -12.800 6.385 489 HH TYR 63 HH TYR 63 10.442 -12.285 9.397 490 H THR 64 HN THR 64 9.100 -19.519 4.980 491 HA THR 64 HA THR 64 6.835 -17.860 5.454 492 HB THR 64 HB THR 64 7.258 -20.478 4.060 493 HG1 THR 64 HG1 THR 64 7.348 -19.077 2.517 494 1HG2 THR 64 3HG2 THR 64 4.580 -19.354 4.813 495 2HG2 THR 64 2HG2 THR 64 4.818 -20.395 3.409 496 3HG2 THR 64 1HG2 THR 64 5.182 -20.997 5.027 497 H GLY 65 HN GLY 65 7.534 -21.208 6.435 498 1HA GLY 65 HA1 GLY 65 6.801 -22.414 8.253 499 2HA GLY 65 HA2 GLY 65 5.384 -21.370 8.272 500 H ILE 66 HN ILE 66 8.756 -20.382 8.558 501 HA ILE 66 HA ILE 66 8.851 -20.143 11.374 502 HB ILE 66 HB ILE 66 10.488 -18.848 9.198 503 1HG1 ILE 66 2HG1 ILE 66 11.387 -20.832 11.278 504 2HG1 ILE 66 1HG1 ILE 66 10.614 -21.359 9.787 505 1HG2 ILE 66 2HG2 ILE 66 10.662 -18.489 12.172 506 2HG2 ILE 66 1HG2 ILE 66 12.072 -18.291 11.132 507 3HG2 ILE 66 3HG2 ILE 66 10.659 -17.260 10.908 508 1HD1 ILE 66 1HD1 ILE 66 12.471 -19.821 8.708 509 2HD1 ILE 66 3HD1 ILE 66 13.296 -20.180 10.226 510 3HD1 ILE 66 2HD1 ILE 66 12.791 -21.495 9.164 511 H PHE 67 HN PHE 67 8.574 -17.583 8.897 512 HA PHE 67 HA PHE 67 8.102 -15.425 10.559 513 1HB PHE 67 HB2 PHE 67 8.468 -15.200 8.141 514 2HB PHE 67 HB1 PHE 67 6.889 -15.910 7.828 515 HD1 PHE 67 HD1 PHE 67 4.964 -14.584 7.784 516 HD2 PHE 67 HD2 PHE 67 8.577 -13.000 9.375 517 HE1 PHE 67 HE1 PHE 67 3.941 -12.348 7.872 518 HE2 PHE 67 HE2 PHE 67 7.562 -10.762 9.467 519 HZ PHE 67 HZ PHE 67 5.240 -10.433 8.715 520 H THR 68 HN THR 68 5.607 -17.400 8.955 521 HA THR 68 HA THR 68 3.433 -16.213 10.287 522 HB THR 68 HB THR 68 3.492 -18.996 9.126 523 HG1 THR 68 HG1 THR 68 3.157 -16.501 7.819 524 1HG2 THR 68 3HG2 THR 68 1.293 -17.012 9.591 525 2HG2 THR 68 2HG2 THR 68 1.148 -18.334 8.433 526 3HG2 THR 68 1HG2 THR 68 1.407 -18.683 10.142 527 H ASP 69 HN ASP 69 5.705 -18.550 11.347 528 HA ASP 69 HA ASP 69 4.191 -20.030 13.176 529 1HB ASP 69 HB2 ASP 69 6.869 -19.913 12.495 530 2HB ASP 69 HB1 ASP 69 6.864 -19.377 14.172 531 H GLN 70 HN GLN 70 6.164 -17.124 13.832 532 HA GLN 70 HA GLN 70 5.153 -16.783 16.469 533 1HB GLN 70 HB2 GLN 70 7.353 -15.894 15.380 534 2HB GLN 70 HB1 GLN 70 6.350 -14.539 14.881 535 1HG GLN 70 HG2 GLN 70 5.890 -13.932 17.118 536 2HG GLN 70 HG1 GLN 70 6.556 -15.442 17.737 537 1HE2 GLN 70 1HE2 GLN 70 8.819 -15.736 17.735 538 2HE2 GLN 70 2HE2 GLN 70 9.896 -14.388 17.650 539 H VAL 71 HN VAL 71 4.029 -15.799 13.344 540 HA VAL 71 HA VAL 71 2.392 -13.620 14.154 541 HB VAL 71 HB VAL 71 2.159 -15.429 11.734 542 1HG1 VAL 71 1HG1 VAL 71 0.701 -12.903 12.468 543 2HG1 VAL 71 3HG1 VAL 71 0.826 -13.483 10.807 544 3HG1 VAL 71 2HG1 VAL 71 0.022 -14.470 12.027 545 1HG2 VAL 71 3HG2 VAL 71 4.201 -13.805 12.194 546 2HG2 VAL 71 2HG2 VAL 71 3.512 -13.996 10.583 547 3HG2 VAL 71 1HG2 VAL 71 3.068 -12.605 11.572 548 H LEU 72 HN LEU 72 1.696 -17.009 13.364 549 HA LEU 72 HA LEU 72 -0.996 -17.052 14.127 550 1HB LEU 72 HB2 LEU 72 1.103 -19.223 14.108 551 2HB LEU 72 HB1 LEU 72 -0.580 -19.531 14.486 552 HG LEU 72 HG LEU 72 0.189 -18.233 11.892 553 1HD1 LEU 72 2HD1 LEU 72 0.075 -21.193 12.453 554 2HD1 LEU 72 1HD1 LEU 72 0.207 -20.453 10.857 555 3HD1 LEU 72 3HD1 LEU 72 1.513 -20.265 12.027 556 1HD2 LEU 72 1HD2 LEU 72 -2.160 -18.186 12.543 557 2HD2 LEU 72 3HD2 LEU 72 -1.914 -19.235 11.146 558 3HD2 LEU 72 2HD2 LEU 72 -2.149 -19.938 12.747 559 H SER 73 HN SER 73 2.005 -17.390 15.929 560 HA SER 73 HA SER 73 0.955 -18.274 18.371 561 1HB SER 73 HB2 SER 73 3.435 -17.994 17.635 562 2HB SER 73 HB1 SER 73 3.264 -16.351 18.250 563 HG SER 73 HG SER 73 4.005 -17.623 19.916 564 H VAL 74 HN VAL 74 1.262 -15.037 17.029 565 HA VAL 74 HA VAL 74 0.366 -13.685 19.383 566 HB VAL 74 HB VAL 74 0.309 -12.688 16.528 567 1HG1 VAL 74 2HG1 VAL 74 -0.037 -11.359 19.189 568 2HG1 VAL 74 1HG1 VAL 74 0.586 -10.457 17.807 569 3HG1 VAL 74 3HG1 VAL 74 -1.011 -11.202 17.726 570 1HG2 VAL 74 3HG2 VAL 74 2.526 -13.260 18.252 571 2HG2 VAL 74 2HG2 VAL 74 2.530 -12.646 16.599 572 3HG2 VAL 74 1HG2 VAL 74 2.434 -11.524 17.956 573 H LEU 75 HN LEU 75 -1.237 -15.489 16.948 574 HA LEU 75 HA LEU 75 -3.732 -14.158 16.897 575 1HB LEU 75 HB2 LEU 75 -2.667 -16.224 15.507 576 2HB LEU 75 HB1 LEU 75 -3.740 -17.094 16.587 577 HG LEU 75 HG LEU 75 -4.755 -14.780 14.967 578 1HD1 LEU 75 3HD1 LEU 75 -3.663 -16.296 13.393 579 2HD1 LEU 75 2HD1 LEU 75 -4.582 -17.648 14.054 580 3HD1 LEU 75 1HD1 LEU 75 -5.417 -16.339 13.218 581 1HD2 LEU 75 1HD2 LEU 75 -5.961 -17.164 16.339 582 2HD2 LEU 75 3HD2 LEU 75 -6.299 -15.452 16.598 583 3HD2 LEU 75 2HD2 LEU 75 -6.841 -16.243 15.118 584 H LYS 76 HN LYS 76 -2.357 -16.624 18.946 585 HA LYS 76 HA LYS 76 -4.742 -17.207 20.399 586 1HB LYS 76 HB2 LYS 76 -1.832 -17.699 21.047 587 2HB LYS 76 HB1 LYS 76 -3.166 -18.287 22.030 588 1HG LYS 76 HG2 LYS 76 -3.954 -19.677 20.252 589 2HG LYS 76 HG1 LYS 76 -2.796 -18.971 19.123 590 1HD LYS 76 HD2 LYS 76 -0.959 -19.855 20.547 591 2HD LYS 76 HD1 LYS 76 -2.172 -20.662 21.542 592 1HE LYS 76 HE2 LYS 76 -2.967 -21.763 19.384 593 2HE LYS 76 HE1 LYS 76 -1.465 -21.180 18.667 594 1HZ LYS 76 HZ1 LYS 76 -0.237 -22.406 20.361 595 2HZ LYS 76 HZ3 LYS 76 -1.687 -22.983 21.018 596 3HZ LYS 76 HZ2 LYS 76 -1.225 -23.440 19.457 597 H GLY 77 HN GLY 77 -1.872 -15.215 21.140 598 1HA GLY 77 HA1 GLY 77 -1.525 -13.585 22.723 599 2HA GLY 77 HA2 GLY 77 -2.809 -14.326 23.666 600 H GLU 78 HN GLU 78 -2.503 -12.458 20.633 601 HA GLU 78 HA GLU 78 -4.030 -10.275 21.567 602 1HB GLU 78 HB2 GLU 78 -2.400 -10.203 19.666 603 2HB GLU 78 HB1 GLU 78 -3.566 -11.083 18.689 604 1HG GLU 78 HG2 GLU 78 -4.307 -8.496 19.996 605 2HG GLU 78 HG1 GLU 78 -3.421 -8.522 18.472 606 H GLU 79 HN GLU 79 -4.906 -12.707 19.093 607 HA GLU 79 HA GLU 79 -6.877 -13.666 18.524 608 1HB GLU 79 HB2 GLU 79 -6.962 -13.742 21.190 609 2HB GLU 79 HB1 GLU 79 -8.313 -12.650 20.928 610 1HG GLU 79 HG2 GLU 79 -9.196 -14.838 21.073 611 2HG GLU 79 HG1 GLU 79 -9.283 -14.356 19.379 No H/Q in entry = 611 Start of MODEL 50 1 H1 THR 1 HT1 THR 1 -3.301 4.895 36.202 2 H2 THR 1 HT3 THR 1 -4.530 5.919 36.820 3 H3 THR 1 HT2 THR 1 -2.882 6.381 36.951 4 HA THR 1 HA THR 1 -2.419 4.709 38.472 5 HB THR 1 HB THR 1 -4.194 5.235 40.242 6 HG1 THR 1 HG1 THR 1 -5.986 5.986 39.491 7 1HG2 THR 1 1HG2 THR 1 -2.146 6.601 39.933 8 2HG2 THR 1 3HG2 THR 1 -3.065 7.647 38.850 9 3HG2 THR 1 2HG2 THR 1 -3.534 7.503 40.545 10 H GLN 2 HN GLN 2 -5.916 4.475 37.729 11 HA GLN 2 HA GLN 2 -5.889 1.674 38.540 12 1HB GLN 2 HB2 GLN 2 -8.128 3.562 37.800 13 2HB GLN 2 HB1 GLN 2 -8.381 1.856 38.146 14 1HG GLN 2 HG2 GLN 2 -7.604 2.135 40.395 15 2HG GLN 2 HG1 GLN 2 -7.133 3.803 40.071 16 1HE2 GLN 2 1HE2 GLN 2 -8.773 5.371 39.757 17 2HE2 GLN 2 2HE2 GLN 2 -10.369 5.122 40.370 18 H GLN 3 HN GLN 3 -4.431 1.291 36.625 19 HA GLN 3 HA GLN 3 -5.928 0.047 34.548 20 1HB GLN 3 HB2 GLN 3 -4.973 2.753 34.093 21 2HB GLN 3 HB1 GLN 3 -4.287 1.624 32.934 22 1HG GLN 3 HG2 GLN 3 -6.208 1.422 31.835 23 2HG GLN 3 HG1 GLN 3 -7.138 1.227 33.320 24 1HE2 GLN 3 1HE2 GLN 3 -5.853 3.512 31.015 25 2HE2 GLN 3 2HE2 GLN 3 -6.840 4.847 31.493 26 HA PRO 4 HA PRO 4 -1.293 -0.841 33.761 27 1HB PRO 4 HB2 PRO 4 0.620 0.676 34.901 28 2HB PRO 4 HB1 PRO 4 -0.179 1.147 33.396 29 1HG PRO 4 HG2 PRO 4 -0.692 2.091 36.190 30 2HG PRO 4 HG1 PRO 4 -0.608 3.031 34.690 31 1HD PRO 4 HD2 PRO 4 -2.953 2.263 35.856 32 2HD PRO 4 HD1 PRO 4 -2.770 2.536 34.114 33 H GLN 5 HN GLN 5 -1.959 -2.597 35.115 34 HA GLN 5 HA GLN 5 -1.481 -2.599 37.930 35 1HB GLN 5 HB2 GLN 5 -3.184 -4.035 36.860 36 2HB GLN 5 HB1 GLN 5 -1.906 -4.934 36.055 37 1HG GLN 5 HG2 GLN 5 -1.732 -4.736 38.997 38 2HG GLN 5 HG1 GLN 5 -3.042 -5.717 38.340 39 1HE2 GLN 5 1HE2 GLN 5 0.214 -5.637 39.180 40 2HE2 GLN 5 2HE2 GLN 5 0.700 -7.127 38.453 41 H GLN 6 HN GLN 6 0.085 -4.452 35.299 42 HA GLN 6 HA GLN 6 2.254 -5.297 36.910 43 1HB GLN 6 HB2 GLN 6 1.346 -6.298 34.699 44 2HB GLN 6 HB1 GLN 6 2.379 -5.115 33.908 45 1HG GLN 6 HG2 GLN 6 3.398 -7.358 34.125 46 2HG GLN 6 HG1 GLN 6 4.339 -6.074 34.879 47 1HE2 GLN 6 1HE2 GLN 6 1.957 -8.595 35.592 48 2HE2 GLN 6 2HE2 GLN 6 2.525 -8.923 37.190 49 H ASP 7 HN ASP 7 4.585 -4.767 36.443 50 HA ASP 7 HA ASP 7 5.005 -1.956 36.635 51 1HB ASP 7 HB2 ASP 7 7.370 -2.511 36.828 52 2HB ASP 7 HB1 ASP 7 6.415 -3.606 37.822 53 H GLU 8 HN GLU 8 6.242 -0.612 35.240 54 HA GLU 8 HA GLU 8 5.641 -0.958 32.478 55 1HB GLU 8 HB2 GLU 8 5.986 1.230 33.891 56 2HB GLU 8 HB1 GLU 8 7.671 1.028 33.436 57 1HG GLU 8 HG2 GLU 8 5.331 1.324 31.565 58 2HG GLU 8 HG1 GLU 8 6.562 2.537 31.914 59 H MET 9 HN MET 9 6.637 -2.546 31.384 60 HA MET 9 HA MET 9 9.289 -3.422 31.901 61 1HB MET 9 HB2 MET 9 7.227 -3.998 29.822 62 2HB MET 9 HB1 MET 9 8.889 -4.472 29.498 63 1HG MET 9 HG2 MET 9 8.328 -6.363 30.534 64 2HG MET 9 HG1 MET 9 8.553 -5.430 32.013 65 1HE MET 9 HE1 MET 9 7.454 -6.716 33.377 66 2HE MET 9 HE3 MET 9 6.102 -5.720 33.915 67 3HE MET 9 HE2 MET 9 5.807 -7.344 33.296 68 HA PRO 10 HA PRO 10 11.396 -0.137 29.711 69 1HB PRO 10 HB2 PRO 10 13.882 -1.281 29.777 70 2HB PRO 10 HB1 PRO 10 13.165 -0.410 31.137 71 1HG PRO 10 HG2 PRO 10 13.310 -3.356 30.640 72 2HG PRO 10 HG1 PRO 10 13.569 -2.460 32.149 73 1HD PRO 10 HD2 PRO 10 11.261 -3.750 31.630 74 2HD PRO 10 HD1 PRO 10 11.303 -2.230 32.546 75 H SER 11 HN SER 11 11.104 0.051 27.584 76 HA SER 11 HA SER 11 11.222 -2.165 25.787 77 1HB SER 11 HB2 SER 11 10.924 0.810 25.352 78 2HB SER 11 HB1 SER 11 10.942 -0.351 24.025 79 HG SER 11 HG SER 11 9.039 -1.138 24.661 80 HA PRO 12 HA PRO 12 15.602 -2.001 24.984 81 1HB PRO 12 HB2 PRO 12 15.657 -3.706 22.880 82 2HB PRO 12 HB1 PRO 12 15.441 -4.254 24.546 83 1HG PRO 12 HG2 PRO 12 13.384 -3.823 22.413 84 2HG PRO 12 HG1 PRO 12 13.534 -5.159 23.570 85 1HD PRO 12 HD2 PRO 12 11.799 -3.102 23.916 86 2HD PRO 12 HD1 PRO 12 12.556 -3.959 25.273 87 H THR 13 HN THR 13 17.077 -1.234 23.393 88 HA THR 13 HA THR 13 16.036 0.859 21.756 89 HB THR 13 HB THR 13 18.479 0.999 20.976 90 HG1 THR 13 HG1 THR 13 19.431 -0.851 21.433 91 1HG2 THR 13 2HG2 THR 13 17.619 2.442 22.746 92 2HG2 THR 13 1HG2 THR 13 17.970 1.187 23.935 93 3HG2 THR 13 3HG2 THR 13 19.287 1.954 23.047 94 H PHE 14 HN PHE 14 15.042 0.512 19.894 95 HA PHE 14 HA PHE 14 16.208 -1.420 18.005 96 1HB PHE 14 HB2 PHE 14 13.414 -1.242 19.006 97 2HB PHE 14 HB1 PHE 14 13.627 -1.586 17.293 98 HD1 PHE 14 HD1 PHE 14 14.203 -3.731 16.559 99 HD2 PHE 14 HD2 PHE 14 14.529 -2.757 20.689 100 HE1 PHE 14 HE1 PHE 14 14.605 -6.101 17.082 101 HE2 PHE 14 HE2 PHE 14 14.932 -5.125 21.219 102 HZ PHE 14 HZ PHE 14 14.971 -6.801 19.415 103 H LEU 15 HN LEU 15 13.846 1.247 18.273 104 HA LEU 15 HA LEU 15 13.913 1.987 15.559 105 1HB LEU 15 HB2 LEU 15 13.031 3.303 18.086 106 2HB LEU 15 HB1 LEU 15 13.190 4.292 16.647 107 HG LEU 15 HG LEU 15 11.695 2.432 15.553 108 1HD1 LEU 15 1HD1 LEU 15 11.080 2.133 18.488 109 2HD1 LEU 15 3HD1 LEU 15 10.056 1.540 17.181 110 3HD1 LEU 15 2HD1 LEU 15 11.679 0.887 17.395 111 1HD2 LEU 15 1HD2 LEU 15 11.071 4.776 15.798 112 2HD2 LEU 15 3HD2 LEU 15 9.707 3.718 16.159 113 3HD2 LEU 15 2HD2 LEU 15 10.601 4.486 17.472 114 H THR 16 HN THR 16 16.011 2.792 18.246 115 HA THR 16 HA THR 16 17.259 5.083 17.254 116 HB THR 16 HB THR 16 18.667 2.925 18.827 117 HG1 THR 16 HG1 THR 16 17.182 3.225 20.266 118 1HG2 THR 16 3HG2 THR 16 18.950 5.920 18.840 119 2HG2 THR 16 2HG2 THR 16 19.782 4.805 19.925 120 3HG2 THR 16 1HG2 THR 16 20.107 4.757 18.192 121 H GLN 17 HN GLN 17 18.167 1.659 16.832 122 HA GLN 17 HA GLN 17 20.430 2.118 15.227 123 1HB GLN 17 HB2 GLN 17 19.108 -0.118 16.272 124 2HB GLN 17 HB1 GLN 17 19.066 -0.344 14.530 125 1HG GLN 17 HG2 GLN 17 21.500 0.054 16.252 126 2HG GLN 17 HG1 GLN 17 21.012 -1.418 15.415 127 1HE2 GLN 17 1HE2 GLN 17 22.713 1.522 15.203 128 2HE2 GLN 17 2HE2 GLN 17 23.178 1.405 13.543 129 H VAL 18 HN VAL 18 17.114 1.215 14.296 130 HA VAL 18 HA VAL 18 17.046 0.985 11.670 131 HB VAL 18 HB VAL 18 15.207 2.844 13.182 132 1HG1 VAL 18 2HG1 VAL 18 15.002 1.628 10.441 133 2HG1 VAL 18 1HG1 VAL 18 13.585 2.167 11.343 134 3HG1 VAL 18 3HG1 VAL 18 14.845 3.322 10.908 135 1HG2 VAL 18 3HG2 VAL 18 15.371 -0.102 12.870 136 2HG2 VAL 18 2HG2 VAL 18 14.843 0.865 14.246 137 3HG2 VAL 18 1HG2 VAL 18 13.768 0.632 12.869 138 H LYS 19 HN LYS 19 17.191 4.235 13.153 139 HA LYS 19 HA LYS 19 17.197 5.767 10.864 140 1HB LYS 19 HB2 LYS 19 18.291 6.148 13.606 141 2HB LYS 19 HB1 LYS 19 18.792 7.288 12.365 142 1HG LYS 19 HG2 LYS 19 16.961 8.375 13.148 143 2HG LYS 19 HG1 LYS 19 16.190 7.385 11.907 144 1HD LYS 19 HD2 LYS 19 15.991 5.660 13.894 145 2HD LYS 19 HD1 LYS 19 16.114 7.122 14.874 146 1HE LYS 19 HE2 LYS 19 14.197 7.054 12.589 147 2HE LYS 19 HE1 LYS 19 13.779 6.220 14.085 148 1HZ LYS 19 HZ2 LYS 19 14.095 8.298 15.284 149 2HZ LYS 19 HZ1 LYS 19 14.491 9.096 13.846 150 3HZ LYS 19 HZ3 LYS 19 12.932 8.479 14.070 151 H GLU 20 HN GLU 20 20.109 4.610 12.583 152 HA GLU 20 HA GLU 20 21.932 5.537 10.640 153 1HB GLU 20 HB2 GLU 20 22.521 4.920 12.989 154 2HB GLU 20 HB1 GLU 20 22.313 3.230 12.555 155 1HG GLU 20 HG2 GLU 20 24.125 4.666 10.779 156 2HG GLU 20 HG1 GLU 20 24.657 4.637 12.458 157 H SER 21 HN SER 21 20.018 2.648 10.887 158 HA SER 21 HA SER 21 21.414 1.010 9.065 159 1HB SER 21 HB2 SER 21 19.420 0.462 10.690 160 2HB SER 21 HB1 SER 21 18.426 0.879 9.295 161 HG SER 21 HG SER 21 19.105 -0.863 8.269 162 H LEU 22 HN LEU 22 18.754 3.318 8.611 163 HA LEU 22 HA LEU 22 18.517 2.888 5.806 164 1HB LEU 22 HB2 LEU 22 16.792 3.885 7.427 165 2HB LEU 22 HB1 LEU 22 17.677 5.388 7.249 166 HG LEU 22 HG LEU 22 17.298 5.088 4.717 167 1HD1 LEU 22 1HD1 LEU 22 15.187 3.220 5.788 168 2HD1 LEU 22 3HD1 LEU 22 15.297 3.809 4.128 169 3HD1 LEU 22 2HD1 LEU 22 16.564 2.770 4.782 170 1HD2 LEU 22 2HD2 LEU 22 16.218 6.810 6.063 171 2HD2 LEU 22 1HD2 LEU 22 15.105 6.156 4.862 172 3HD2 LEU 22 3HD2 LEU 22 14.972 5.660 6.550 173 H SER 23 HN SER 23 20.399 5.089 7.811 174 HA SER 23 HA SER 23 21.186 6.921 5.848 175 1HB SER 23 HB2 SER 23 22.727 5.975 8.278 176 2HB SER 23 HB1 SER 23 23.107 7.414 7.333 177 HG SER 23 HG SER 23 21.060 6.965 9.154 178 H SER 24 HN SER 24 22.921 4.032 7.017 179 HA SER 24 HA SER 24 24.982 4.149 5.087 180 1HB SER 24 HB2 SER 24 23.952 1.708 6.556 181 2HB SER 24 HB1 SER 24 25.529 1.880 5.786 182 HG SER 24 HG SER 24 24.591 2.930 8.186 183 H TYR 25 HN TYR 25 21.699 3.189 4.847 184 HA TYR 25 HA TYR 25 22.054 1.389 2.624 185 1HB TYR 25 HB2 TYR 25 20.158 1.202 4.247 186 2HB TYR 25 HB1 TYR 25 19.510 2.705 3.602 187 HD1 TYR 25 HD1 TYR 25 18.401 2.765 1.463 188 HD2 TYR 25 HD2 TYR 25 20.148 -0.845 2.888 189 HE1 TYR 25 HE1 TYR 25 17.207 1.507 -0.278 190 HE2 TYR 25 HE2 TYR 25 18.958 -2.113 1.149 191 HH TYR 25 HH TYR 25 17.888 -1.142 -1.432 192 H TRP 26 HN TRP 26 21.108 4.770 3.095 193 HA TRP 26 HA TRP 26 20.362 5.318 0.433 194 1HB TRP 26 HB2 TRP 26 20.049 6.723 2.622 195 2HB TRP 26 HB1 TRP 26 21.605 7.417 2.177 196 HD1 TRP 26 HD1 TRP 26 17.940 7.575 1.353 197 HE1 TRP 26 HE1 TRP 26 17.542 9.328 -0.487 198 HE3 TRP 26 HE3 TRP 26 22.794 8.448 -0.009 199 HZ2 TRP 26 HZ2 TRP 26 19.077 10.876 -2.280 200 HZ3 TRP 26 HZ3 TRP 26 23.241 10.079 -1.795 201 HH2 TRP 26 HH2 TRP 26 21.420 11.267 -2.907 202 H GLU 27 HN GLU 27 23.462 5.485 2.100 203 HA GLU 27 HA GLU 27 25.101 6.833 0.421 204 1HB GLU 27 HB2 GLU 27 25.461 4.520 2.218 205 2HB GLU 27 HB1 GLU 27 26.707 4.705 0.992 206 1HG GLU 27 HG2 GLU 27 27.504 5.862 2.857 207 2HG GLU 27 HG1 GLU 27 26.909 7.111 1.764 208 H SER 28 HN SER 28 24.452 3.346 0.128 209 HA SER 28 HA SER 28 25.510 3.301 -2.572 210 1HB SER 28 HB2 SER 28 25.013 0.869 -2.459 211 2HB SER 28 HB1 SER 28 26.011 1.417 -1.114 212 HG SER 28 HG SER 28 24.523 0.662 0.146 213 H ALA 29 HN ALA 29 22.467 3.826 -1.093 214 HA ALA 29 HA ALA 29 20.714 2.660 -2.956 215 1HB ALA 29 HB3 ALA 29 20.007 3.550 -0.771 216 2HB ALA 29 HB2 ALA 29 20.261 5.186 -1.377 217 3HB ALA 29 HB1 ALA 29 19.024 4.161 -2.101 218 H LYS 30 HN LYS 30 22.518 5.681 -3.073 219 HA LYS 30 HA LYS 30 21.153 7.032 -5.064 220 1HB LYS 30 HB2 LYS 30 23.251 7.717 -3.683 221 2HB LYS 30 HB1 LYS 30 24.153 7.015 -5.018 222 1HG LYS 30 HG2 LYS 30 22.565 8.581 -6.440 223 2HG LYS 30 HG1 LYS 30 22.508 9.480 -4.923 224 1HD LYS 30 HD2 LYS 30 24.315 10.454 -5.980 225 2HD LYS 30 HD1 LYS 30 25.100 9.225 -4.988 226 1HE LYS 30 HE2 LYS 30 25.010 7.706 -6.993 227 2HE LYS 30 HE1 LYS 30 24.485 9.100 -7.935 228 1HZ LYS 30 HZ2 LYS 30 26.541 10.228 -7.333 229 2HZ LYS 30 HZ1 LYS 30 27.044 8.882 -6.440 230 3HZ LYS 30 HZ3 LYS 30 26.864 8.765 -8.119 231 H THR 31 HN THR 31 23.809 4.701 -5.509 232 HA THR 31 HA THR 31 24.012 4.692 -8.254 233 HB THR 31 HB THR 31 24.108 2.167 -6.599 234 HG1 THR 31 HG1 THR 31 25.568 3.162 -5.476 235 1HG2 THR 31 2HG2 THR 31 25.659 3.047 -9.020 236 2HG2 THR 31 1HG2 THR 31 25.968 1.580 -8.091 237 3HG2 THR 31 3HG2 THR 31 24.440 1.775 -8.949 238 H ALA 32 HN ALA 32 21.627 3.139 -6.192 239 HA ALA 32 HA ALA 32 20.351 1.577 -8.161 240 1HB ALA 32 HB2 ALA 32 18.789 2.757 -5.908 241 2HB ALA 32 HB1 ALA 32 18.740 1.128 -6.583 242 3HB ALA 32 HB3 ALA 32 20.086 1.616 -5.554 243 H ALA 33 HN ALA 33 19.847 4.930 -7.087 244 HA ALA 33 HA ALA 33 17.514 5.557 -8.410 245 1HB ALA 33 HB2 ALA 33 18.863 7.046 -6.876 246 2HB ALA 33 HB1 ALA 33 19.849 7.446 -8.283 247 3HB ALA 33 HB3 ALA 33 18.128 7.836 -8.270 248 H GLN 34 HN GLN 34 20.782 6.044 -9.759 249 HA GLN 34 HA GLN 34 19.835 6.654 -12.352 250 1HB GLN 34 HB2 GLN 34 22.162 6.292 -13.088 251 2HB GLN 34 HB1 GLN 34 22.078 7.309 -11.657 252 1HG GLN 34 HG2 GLN 34 22.675 5.387 -10.263 253 2HG GLN 34 HG1 GLN 34 22.779 4.381 -11.707 254 1HE2 GLN 34 1HE2 GLN 34 24.406 4.927 -13.292 255 2HE2 GLN 34 2HE2 GLN 34 25.868 5.694 -12.783 256 H ASN 35 HN ASN 35 20.734 3.664 -10.737 257 HA ASN 35 HA ASN 35 20.731 1.977 -12.997 258 1HB ASN 35 HB2 ASN 35 21.573 1.443 -10.638 259 2HB ASN 35 HB1 ASN 35 19.892 1.100 -10.238 260 1HD2 ASN 35 1HD2 ASN 35 22.416 0.265 -12.584 261 2HD2 ASN 35 2HD2 ASN 35 21.934 -1.383 -12.772 262 H LEU 36 HN LEU 36 18.165 3.342 -11.133 263 HA LEU 36 HA LEU 36 16.043 1.628 -11.742 264 1HB LEU 36 HB2 LEU 36 16.157 3.747 -10.198 265 2HB LEU 36 HB1 LEU 36 15.684 4.609 -11.651 266 HG LEU 36 HG LEU 36 13.737 2.866 -11.730 267 1HD1 LEU 36 2HD1 LEU 36 14.584 1.447 -9.935 268 2HD1 LEU 36 1HD1 LEU 36 14.480 2.802 -8.810 269 3HD1 LEU 36 3HD1 LEU 36 13.011 2.132 -9.521 270 1HD2 LEU 36 3HD2 LEU 36 13.824 5.105 -9.711 271 2HD2 LEU 36 2HD2 LEU 36 13.445 5.264 -11.426 272 3HD2 LEU 36 1HD2 LEU 36 12.362 4.364 -10.363 273 H TYR 37 HN TYR 37 17.390 4.430 -13.374 274 HA TYR 37 HA TYR 37 15.683 4.405 -15.637 275 1HB TYR 37 HB2 TYR 37 18.444 5.533 -15.160 276 2HB TYR 37 HB1 TYR 37 17.630 5.685 -16.713 277 HD1 TYR 37 HD1 TYR 37 17.615 6.726 -13.195 278 HD2 TYR 37 HD2 TYR 37 15.748 7.173 -16.992 279 HE1 TYR 37 HE1 TYR 37 16.450 8.731 -12.379 280 HE2 TYR 37 HE2 TYR 37 14.579 9.180 -16.187 281 HH TYR 37 HH TYR 37 13.905 9.962 -13.490 282 H GLU 38 HN GLU 38 18.753 2.865 -14.850 283 HA GLU 38 HA GLU 38 19.412 1.820 -17.358 284 1HB GLU 38 HB2 GLU 38 20.150 1.199 -14.561 285 2HB GLU 38 HB1 GLU 38 20.428 -0.081 -15.732 286 1HG GLU 38 HG2 GLU 38 22.438 1.072 -15.675 287 2HG GLU 38 HG1 GLU 38 21.636 1.702 -17.112 288 H LYS 39 HN LYS 39 17.746 0.159 -14.696 289 HA LYS 39 HA LYS 39 17.176 -2.207 -16.052 290 1HB LYS 39 HB2 LYS 39 16.859 -1.411 -13.520 291 2HB LYS 39 HB1 LYS 39 15.198 -1.226 -14.063 292 1HG LYS 39 HG2 LYS 39 16.412 -3.766 -14.845 293 2HG LYS 39 HG1 LYS 39 16.311 -3.526 -13.100 294 1HD LYS 39 HD2 LYS 39 14.029 -3.544 -13.091 295 2HD LYS 39 HD1 LYS 39 13.909 -2.862 -14.714 296 1HE LYS 39 HE2 LYS 39 13.136 -5.107 -14.834 297 2HE LYS 39 HE1 LYS 39 14.722 -5.061 -15.599 298 1HZ LYS 39 HZ1 LYS 39 14.373 -5.830 -12.761 299 2HZ LYS 39 HZ3 LYS 39 14.269 -6.961 -14.015 300 3HZ LYS 39 HZ2 LYS 39 15.705 -6.106 -13.766 301 H THR 40 HN THR 40 15.824 0.902 -16.555 302 HA THR 40 HA THR 40 13.219 0.134 -17.385 303 HB THR 40 HB THR 40 14.776 2.523 -18.383 304 HG1 THR 40 HG1 THR 40 13.295 2.224 -15.983 305 1HG2 THR 40 2HG2 THR 40 11.826 2.069 -18.015 306 2HG2 THR 40 1HG2 THR 40 12.572 3.613 -18.428 307 3HG2 THR 40 3HG2 THR 40 12.690 2.252 -19.542 308 H TYR 41 HN TYR 41 16.188 0.817 -19.168 309 HA TYR 41 HA TYR 41 15.183 0.151 -21.730 310 1HB TYR 41 HB2 TYR 41 18.093 -0.158 -21.087 311 2HB TYR 41 HB1 TYR 41 17.334 0.492 -22.534 312 HD1 TYR 41 HD1 TYR 41 15.865 2.712 -22.005 313 HD2 TYR 41 HD2 TYR 41 19.206 1.346 -19.750 314 HE1 TYR 41 HE1 TYR 41 16.223 4.993 -21.161 315 HE2 TYR 41 HE2 TYR 41 19.572 3.622 -18.901 316 HH TYR 41 HH TYR 41 17.528 5.889 -18.770 317 H LEU 42 HN LEU 42 16.859 -1.738 -19.251 318 HA LEU 42 HA LEU 42 17.219 -4.062 -20.854 319 1HB LEU 42 HB2 LEU 42 17.223 -3.739 -17.854 320 2HB LEU 42 HB1 LEU 42 17.748 -5.177 -18.709 321 HG LEU 42 HG LEU 42 19.073 -2.625 -19.447 322 1HD1 LEU 42 2HD1 LEU 42 18.972 -2.446 -17.018 323 2HD1 LEU 42 1HD1 LEU 42 19.649 -4.067 -16.863 324 3HD1 LEU 42 3HD1 LEU 42 20.617 -2.769 -17.564 325 1HD2 LEU 42 1HD2 LEU 42 19.636 -4.752 -20.530 326 2HD2 LEU 42 3HD2 LEU 42 21.007 -4.085 -19.642 327 3HD2 LEU 42 2HD2 LEU 42 20.083 -5.425 -18.962 328 HA PRO 43 HA PRO 43 13.172 -5.851 -20.304 329 1HB PRO 43 HB2 PRO 43 13.543 -8.068 -21.723 330 2HB PRO 43 HB1 PRO 43 13.621 -6.481 -22.498 331 1HG PRO 43 HG2 PRO 43 15.834 -8.318 -21.713 332 2HG PRO 43 HG1 PRO 43 15.703 -7.256 -23.124 333 1HD PRO 43 HD2 PRO 43 17.084 -6.703 -20.731 334 2HD PRO 43 HD1 PRO 43 16.695 -5.543 -22.016 335 H ALA 44 HN ALA 44 15.418 -6.438 -18.241 336 HA ALA 44 HA ALA 44 15.261 -9.155 -17.491 337 1HB ALA 44 HB2 ALA 44 16.075 -6.675 -16.004 338 2HB ALA 44 HB1 ALA 44 16.116 -8.279 -15.269 339 3HB ALA 44 HB3 ALA 44 17.102 -7.934 -16.691 340 H VAL 45 HN VAL 45 12.996 -6.625 -17.139 341 HA VAL 45 HA VAL 45 11.701 -6.848 -14.810 342 HB VAL 45 HB VAL 45 10.338 -6.808 -17.507 343 1HG1 VAL 45 2HG1 VAL 45 9.312 -6.285 -14.733 344 2HG1 VAL 45 1HG1 VAL 45 8.536 -5.598 -16.160 345 3HG1 VAL 45 3HG1 VAL 45 8.648 -7.349 -15.973 346 1HG2 VAL 45 1HG2 VAL 45 11.382 -4.630 -15.711 347 2HG2 VAL 45 3HG2 VAL 45 11.809 -4.958 -17.390 348 3HG2 VAL 45 2HG2 VAL 45 10.209 -4.332 -16.993 349 H ASP 46 HN ASP 46 10.915 -9.008 -17.552 350 HA ASP 46 HA ASP 46 9.300 -10.710 -15.915 351 1HB ASP 46 HB2 ASP 46 10.336 -11.008 -18.736 352 2HB ASP 46 HB1 ASP 46 9.257 -12.167 -17.966 353 H GLU 47 HN GLU 47 12.659 -10.762 -16.961 354 HA GLU 47 HA GLU 47 13.154 -13.504 -16.380 355 1HB GLU 47 HB2 GLU 47 14.723 -12.464 -17.791 356 2HB GLU 47 HB1 GLU 47 14.913 -11.086 -16.718 357 1HG GLU 47 HG2 GLU 47 15.705 -13.685 -15.591 358 2HG GLU 47 HG1 GLU 47 16.684 -13.104 -16.936 359 H LYS 48 HN LYS 48 14.028 -10.567 -14.531 360 HA LYS 48 HA LYS 48 14.981 -11.844 -12.247 361 1HB LYS 48 HB2 LYS 48 14.657 -9.229 -13.056 362 2HB LYS 48 HB1 LYS 48 13.557 -9.348 -11.690 363 1HG LYS 48 HG2 LYS 48 15.404 -8.792 -10.532 364 2HG LYS 48 HG1 LYS 48 15.712 -10.527 -10.622 365 1HD LYS 48 HD2 LYS 48 17.706 -9.870 -11.445 366 2HD LYS 48 HD1 LYS 48 16.808 -9.713 -12.955 367 1HE LYS 48 HE2 LYS 48 16.308 -7.309 -12.095 368 2HE LYS 48 HE1 LYS 48 17.697 -7.588 -11.047 369 1HZ LYS 48 HZ2 LYS 48 17.795 -7.937 -13.990 370 2HZ LYS 48 HZ1 LYS 48 18.195 -6.486 -13.218 371 3HZ LYS 48 HZ3 LYS 48 19.097 -7.884 -12.912 372 H LEU 49 HN LEU 49 11.715 -11.370 -13.317 373 HA LEU 49 HA LEU 49 10.375 -11.604 -10.849 374 1HB LEU 49 HB2 LEU 49 9.657 -11.360 -13.570 375 2HB LEU 49 HB1 LEU 49 8.885 -12.823 -12.994 376 HG LEU 49 HG LEU 49 8.057 -11.336 -11.031 377 1HD1 LEU 49 1HD1 LEU 49 9.544 -9.427 -11.709 378 2HD1 LEU 49 3HD1 LEU 49 8.484 -9.193 -13.100 379 3HD1 LEU 49 2HD1 LEU 49 7.847 -9.013 -11.466 380 1HD2 LEU 49 2HD2 LEU 49 6.608 -12.331 -12.719 381 2HD2 LEU 49 1HD2 LEU 49 6.089 -10.690 -12.332 382 3HD2 LEU 49 3HD2 LEU 49 6.971 -11.007 -13.826 383 H ARG 50 HN ARG 50 10.685 -14.062 -13.418 384 HA ARG 50 HA ARG 50 10.001 -16.235 -11.752 385 1HB ARG 50 HB2 ARG 50 10.105 -16.034 -14.367 386 2HB ARG 50 HB1 ARG 50 11.762 -16.581 -14.152 387 1HG ARG 50 HG2 ARG 50 10.537 -18.522 -14.575 388 2HG ARG 50 HG1 ARG 50 10.781 -18.521 -12.828 389 1HD ARG 50 HD2 ARG 50 8.341 -17.160 -13.743 390 2HD ARG 50 HD1 ARG 50 8.386 -18.894 -14.059 391 HE ARG 50 HE ARG 50 8.116 -17.603 -11.511 392 1HH1 ARG 50 1HH1 ARG 50 9.197 -20.527 -13.110 393 2HH1 ARG 50 2HH1 ARG 50 8.984 -21.518 -11.708 394 1HH2 ARG 50 1HH2 ARG 50 7.834 -18.918 -9.669 395 2HH2 ARG 50 2HH2 ARG 50 8.211 -20.606 -9.755 396 H ASP 51 HN ASP 51 13.047 -14.665 -12.532 397 HA ASP 51 HA ASP 51 14.857 -16.579 -11.619 398 1HB ASP 51 HB2 ASP 51 14.908 -13.681 -12.114 399 2HB ASP 51 HB1 ASP 51 16.073 -14.226 -10.913 400 H LEU 52 HN LEU 52 13.587 -13.786 -9.793 401 HA LEU 52 HA LEU 52 14.633 -14.707 -7.305 402 1HB LEU 52 HB2 LEU 52 14.022 -12.303 -8.046 403 2HB LEU 52 HB1 LEU 52 12.392 -12.730 -7.562 404 HG LEU 52 HG LEU 52 13.771 -13.464 -5.342 405 1HD1 LEU 52 3HD1 LEU 52 15.888 -12.634 -6.237 406 2HD1 LEU 52 2HD1 LEU 52 15.178 -11.032 -6.437 407 3HD1 LEU 52 1HD1 LEU 52 15.380 -11.712 -4.822 408 1HD2 LEU 52 3HD2 LEU 52 12.683 -10.722 -5.976 409 2HD2 LEU 52 2HD2 LEU 52 11.752 -12.105 -5.401 410 3HD2 LEU 52 1HD2 LEU 52 12.971 -11.368 -4.361 411 H TYR 53 HN TYR 53 11.800 -15.479 -9.088 412 HA TYR 53 HA TYR 53 10.053 -16.114 -6.951 413 1HB TYR 53 HB2 TYR 53 9.973 -16.193 -9.789 414 2HB TYR 53 HB1 TYR 53 9.553 -17.802 -9.213 415 HD1 TYR 53 HD1 TYR 53 8.235 -14.720 -10.104 416 HD2 TYR 53 HD2 TYR 53 7.842 -17.735 -7.128 417 HE1 TYR 53 HE1 TYR 53 5.952 -13.944 -9.629 418 HE2 TYR 53 HE2 TYR 53 5.556 -16.968 -6.644 419 HH TYR 53 HH TYR 53 4.359 -14.320 -7.140 420 H SER 54 HN SER 54 12.325 -18.076 -8.864 421 HA SER 54 HA SER 54 11.747 -20.555 -7.675 422 1HB SER 54 HB2 SER 54 13.128 -20.108 -9.779 423 2HB SER 54 HB1 SER 54 14.475 -19.752 -8.696 424 HG SER 54 HG SER 54 14.645 -21.888 -9.154 425 H LYS 55 HN LYS 55 14.289 -18.173 -6.908 426 HA LYS 55 HA LYS 55 15.401 -19.560 -4.729 427 1HB LYS 55 HB2 LYS 55 16.342 -17.541 -6.003 428 2HB LYS 55 HB1 LYS 55 15.327 -16.556 -4.958 429 1HG LYS 55 HG2 LYS 55 16.481 -17.691 -3.006 430 2HG LYS 55 HG1 LYS 55 17.637 -18.309 -4.187 431 1HD LYS 55 HD2 LYS 55 18.246 -16.068 -4.835 432 2HD LYS 55 HD1 LYS 55 16.991 -15.389 -3.796 433 1HE LYS 55 HE2 LYS 55 18.135 -16.302 -1.830 434 2HE LYS 55 HE1 LYS 55 19.388 -16.972 -2.873 435 1HZ LYS 55 HZ2 LYS 55 18.759 -14.084 -2.568 436 2HZ LYS 55 HZ1 LYS 55 20.079 -14.882 -1.875 437 3HZ LYS 55 HZ3 LYS 55 19.970 -14.730 -3.557 438 H SER 56 HN SER 56 12.820 -17.131 -4.895 439 HA SER 56 HA SER 56 12.432 -16.812 -2.129 440 1HB SER 56 HB2 SER 56 10.678 -16.337 -4.524 441 2HB SER 56 HB1 SER 56 10.059 -16.098 -2.891 442 HG SER 56 HG SER 56 11.970 -14.649 -4.307 443 H THR 57 HN THR 57 10.631 -18.881 -4.443 444 HA THR 57 HA THR 57 8.897 -20.038 -2.589 445 HB THR 57 HB THR 57 8.748 -21.932 -4.263 446 HG1 THR 57 HG1 THR 57 10.587 -22.036 -5.339 447 1HG2 THR 57 3HG2 THR 57 8.427 -19.106 -5.220 448 2HG2 THR 57 2HG2 THR 57 7.898 -20.513 -6.143 449 3HG2 THR 57 1HG2 THR 57 7.194 -20.181 -4.560 450 H ALA 58 HN ALA 58 12.171 -20.996 -3.552 451 HA ALA 58 HA ALA 58 12.265 -23.476 -2.242 452 1HB ALA 58 HB1 ALA 58 14.732 -23.177 -2.294 453 2HB ALA 58 HB2 ALA 58 14.481 -21.525 -2.859 454 3HB ALA 58 HB3 ALA 58 13.953 -22.885 -3.849 455 H ALA 59 HN ALA 59 13.612 -20.355 -1.126 456 HA ALA 59 HA ALA 59 14.188 -21.211 1.493 457 1HB ALA 59 HB2 ALA 59 13.611 -18.386 0.620 458 2HB ALA 59 HB3 ALA 59 15.154 -19.204 0.381 459 3HB ALA 59 HB1 ALA 59 14.561 -18.904 2.013 460 H MET 60 HN MET 60 11.241 -20.044 0.028 461 HA MET 60 HA MET 60 9.849 -19.231 2.319 462 1HB MET 60 HB2 MET 60 9.146 -19.961 -0.451 463 2HB MET 60 HB1 MET 60 7.849 -20.122 0.722 464 1HG MET 60 HG2 MET 60 9.438 -17.610 0.686 465 2HG MET 60 HG1 MET 60 8.245 -17.884 -0.582 466 1HE MET 60 HE1 MET 60 9.197 -17.253 2.826 467 2HE MET 60 HE3 MET 60 7.815 -16.407 3.523 468 3HE MET 60 HE2 MET 60 7.978 -18.151 3.732 469 H SER 61 HN SER 61 10.737 -22.414 1.347 470 HA SER 61 HA SER 61 8.569 -23.843 2.479 471 1HB SER 61 HB2 SER 61 9.961 -25.806 2.288 472 2HB SER 61 HB1 SER 61 10.228 -24.801 0.864 473 HG SER 61 HG SER 61 12.196 -24.254 1.596 474 H THR 62 HN THR 62 11.236 -22.207 3.893 475 HA THR 62 HA THR 62 10.790 -23.546 6.472 476 HB THR 62 HB THR 62 12.965 -22.495 7.141 477 HG1 THR 62 HG1 THR 62 13.476 -20.900 5.849 478 1HG2 THR 62 1HG2 THR 62 12.917 -24.807 6.299 479 2HG2 THR 62 3HG2 THR 62 13.204 -24.193 4.670 480 3HG2 THR 62 2HG2 THR 62 14.422 -23.965 5.925 481 H TYR 63 HN TYR 63 11.215 -20.331 4.998 482 HA TYR 63 HA TYR 63 10.629 -18.838 7.295 483 1HB TYR 63 HB2 TYR 63 10.494 -18.149 4.359 484 2HB TYR 63 HB1 TYR 63 10.208 -16.976 5.640 485 HD1 TYR 63 HD1 TYR 63 12.169 -17.107 7.543 486 HD2 TYR 63 HD2 TYR 63 12.594 -18.085 3.424 487 HE1 TYR 63 HE1 TYR 63 14.585 -16.680 7.697 488 HE2 TYR 63 HE2 TYR 63 15.011 -17.662 3.567 489 HH TYR 63 HH TYR 63 16.752 -17.720 5.957 490 H THR 64 HN THR 64 8.567 -20.613 5.160 491 HA THR 64 HA THR 64 6.242 -19.013 5.555 492 HB THR 64 HB THR 64 6.715 -21.790 4.530 493 HG1 THR 64 HG1 THR 64 6.832 -20.306 2.958 494 1HG2 THR 64 2HG2 THR 64 4.034 -20.672 5.284 495 2HG2 THR 64 1HG2 THR 64 4.241 -21.913 4.049 496 3HG2 THR 64 3HG2 THR 64 4.732 -22.234 5.712 497 H GLY 65 HN GLY 65 7.282 -22.094 6.992 498 1HA GLY 65 HA1 GLY 65 6.733 -23.059 9.011 499 2HA GLY 65 HA2 GLY 65 5.245 -22.116 8.974 500 H ILE 66 HN ILE 66 8.538 -20.871 8.840 501 HA ILE 66 HA ILE 66 8.815 -20.188 11.567 502 HB ILE 66 HB ILE 66 10.173 -19.114 9.096 503 1HG1 ILE 66 2HG1 ILE 66 11.395 -20.727 11.326 504 2HG1 ILE 66 1HG1 ILE 66 10.539 -21.510 10.001 505 1HG2 ILE 66 2HG2 ILE 66 10.555 -18.348 11.973 506 2HG2 ILE 66 1HG2 ILE 66 11.855 -18.195 10.792 507 3HG2 ILE 66 3HG2 ILE 66 10.351 -17.303 10.567 508 1HD1 ILE 66 3HD1 ILE 66 12.157 -20.043 8.536 509 2HD1 ILE 66 2HD1 ILE 66 13.138 -20.080 10.002 510 3HD1 ILE 66 1HD1 ILE 66 12.671 -21.588 9.214 511 H PHE 67 HN PHE 67 8.177 -18.056 8.768 512 HA PHE 67 HA PHE 67 7.643 -15.715 10.145 513 1HB PHE 67 HB2 PHE 67 6.512 -16.736 7.541 514 2HB PHE 67 HB1 PHE 67 6.135 -15.136 8.163 515 HD1 PHE 67 HD1 PHE 67 9.318 -15.534 9.287 516 HD2 PHE 67 HD2 PHE 67 7.220 -15.112 5.605 517 HE1 PHE 67 HE1 PHE 67 11.354 -14.651 8.231 518 HE2 PHE 67 HE2 PHE 67 9.255 -14.228 4.546 519 HZ PHE 67 HZ PHE 67 11.326 -13.997 5.857 520 H THR 68 HN THR 68 5.227 -18.085 9.033 521 HA THR 68 HA THR 68 3.042 -16.868 10.325 522 HB THR 68 HB THR 68 3.308 -19.775 9.551 523 HG1 THR 68 HG1 THR 68 2.520 -17.533 8.003 524 1HG2 THR 68 2HG2 THR 68 0.943 -18.014 10.066 525 2HG2 THR 68 1HG2 THR 68 0.834 -19.441 9.035 526 3HG2 THR 68 3HG2 THR 68 1.306 -19.609 10.725 527 H ASP 69 HN ASP 69 5.565 -18.840 11.551 528 HA ASP 69 HA ASP 69 4.300 -20.128 13.689 529 1HB ASP 69 HB2 ASP 69 6.908 -19.928 12.798 530 2HB ASP 69 HB1 ASP 69 6.969 -19.128 14.365 531 H GLN 70 HN GLN 70 6.025 -16.997 13.734 532 HA GLN 70 HA GLN 70 5.187 -16.345 16.372 533 1HB GLN 70 HB2 GLN 70 7.096 -15.374 14.669 534 2HB GLN 70 HB1 GLN 70 5.897 -14.090 14.624 535 1HG GLN 70 HG2 GLN 70 7.085 -15.211 17.150 536 2HG GLN 70 HG1 GLN 70 7.677 -13.774 16.322 537 1HE2 GLN 70 1HE2 GLN 70 5.493 -14.988 18.590 538 2HE2 GLN 70 2HE2 GLN 70 4.562 -13.554 18.830 539 H VAL 71 HN VAL 71 3.728 -15.960 13.256 540 HA VAL 71 HA VAL 71 1.944 -13.839 13.892 541 HB VAL 71 HB VAL 71 1.685 -16.020 11.803 542 1HG1 VAL 71 1HG1 VAL 71 0.085 -13.518 12.277 543 2HG1 VAL 71 3HG1 VAL 71 0.116 -14.351 10.723 544 3HG1 VAL 71 2HG1 VAL 71 -0.494 -15.179 12.156 545 1HG2 VAL 71 2HG2 VAL 71 3.632 -14.272 11.774 546 2HG2 VAL 71 1HG2 VAL 71 2.748 -14.642 10.293 547 3HG2 VAL 71 3HG2 VAL 71 2.373 -13.178 11.202 548 H LEU 72 HN LEU 72 1.518 -17.353 13.646 549 HA LEU 72 HA LEU 72 -1.075 -17.507 14.692 550 1HB LEU 72 HB2 LEU 72 1.046 -19.341 14.006 551 2HB LEU 72 HB1 LEU 72 0.314 -19.817 15.527 552 HG LEU 72 HG LEU 72 -1.935 -19.630 14.295 553 1HD1 LEU 72 3HD1 LEU 72 -0.809 -18.432 12.339 554 2HD1 LEU 72 2HD1 LEU 72 -0.242 -20.028 11.852 555 3HD1 LEU 72 1HD1 LEU 72 -1.972 -19.702 11.960 556 1HD2 LEU 72 3HD2 LEU 72 -0.928 -21.743 14.989 557 2HD2 LEU 72 2HD2 LEU 72 -1.723 -21.900 13.424 558 3HD2 LEU 72 1HD2 LEU 72 0.034 -21.777 13.512 559 H SER 73 HN SER 73 2.100 -17.350 16.189 560 HA SER 73 HA SER 73 1.384 -17.975 18.822 561 1HB SER 73 HB2 SER 73 3.737 -17.684 17.891 562 2HB SER 73 HB1 SER 73 3.495 -15.949 18.074 563 HG SER 73 HG SER 73 3.703 -16.134 20.170 564 H VAL 74 HN VAL 74 1.234 -14.935 17.058 565 HA VAL 74 HA VAL 74 0.457 -13.358 19.311 566 HB VAL 74 HB VAL 74 0.031 -12.776 16.371 567 1HG1 VAL 74 3HG1 VAL 74 -0.225 -11.116 18.853 568 2HG1 VAL 74 2HG1 VAL 74 0.162 -10.370 17.302 569 3HG1 VAL 74 1HG1 VAL 74 -1.341 -11.272 17.495 570 1HG2 VAL 74 2HG2 VAL 74 2.438 -12.922 17.889 571 2HG2 VAL 74 1HG2 VAL 74 2.221 -12.449 16.205 572 3HG2 VAL 74 3HG2 VAL 74 2.135 -11.234 17.479 573 H LEU 75 HN LEU 75 -1.198 -15.601 17.315 574 HA LEU 75 HA LEU 75 -3.810 -14.517 17.388 575 1HB LEU 75 HB2 LEU 75 -2.731 -16.588 16.090 576 2HB LEU 75 HB1 LEU 75 -3.443 -17.465 17.430 577 HG LEU 75 HG LEU 75 -5.210 -15.545 16.024 578 1HD1 LEU 75 3HD1 LEU 75 -4.368 -18.163 14.789 579 2HD1 LEU 75 2HD1 LEU 75 -5.691 -17.136 14.233 580 3HD1 LEU 75 1HD1 LEU 75 -4.028 -16.554 14.151 581 1HD2 LEU 75 2HD2 LEU 75 -5.922 -16.961 17.938 582 2HD2 LEU 75 1HD2 LEU 75 -6.868 -17.223 16.472 583 3HD2 LEU 75 3HD2 LEU 75 -5.627 -18.386 16.941 584 H LYS 76 HN LYS 76 -1.979 -16.555 19.546 585 HA LYS 76 HA LYS 76 -4.122 -17.152 21.333 586 1HB LYS 76 HB2 LYS 76 -1.128 -17.260 21.743 587 2HB LYS 76 HB1 LYS 76 -2.313 -17.902 22.870 588 1HG LYS 76 HG2 LYS 76 -3.023 -19.552 21.307 589 2HG LYS 76 HG1 LYS 76 -2.075 -18.815 20.014 590 1HD LYS 76 HD2 LYS 76 -0.675 -19.702 22.492 591 2HD LYS 76 HD1 LYS 76 -1.192 -20.923 21.329 592 1HE LYS 76 HE2 LYS 76 0.813 -20.502 20.389 593 2HE LYS 76 HE1 LYS 76 -0.040 -19.139 19.668 594 1HZ LYS 76 HZ1 LYS 76 1.367 -18.913 22.263 595 2HZ LYS 76 HZ3 LYS 76 2.155 -18.648 20.790 596 3HZ LYS 76 HZ2 LYS 76 0.851 -17.670 21.238 597 H GLY 77 HN GLY 77 -1.494 -14.749 21.357 598 1HA GLY 77 HA1 GLY 77 -1.064 -13.159 23.061 599 2HA GLY 77 HA2 GLY 77 -2.627 -13.531 23.772 600 H GLU 78 HN GLU 78 -4.352 -13.198 21.674 601 HA GLU 78 HA GLU 78 -4.622 -10.383 21.567 602 1HB GLU 78 HB2 GLU 78 -2.825 -10.708 19.850 603 2HB GLU 78 HB1 GLU 78 -3.950 -11.684 18.919 604 1HG GLU 78 HG2 GLU 78 -4.683 -8.899 19.708 605 2HG GLU 78 HG1 GLU 78 -3.613 -9.184 18.336 606 H GLU 79 HN GLU 79 -5.423 -13.007 19.275 607 HA GLU 79 HA GLU 79 -8.077 -13.344 20.188 608 1HB GLU 79 HB2 GLU 79 -8.299 -11.080 19.164 609 2HB GLU 79 HB1 GLU 79 -7.816 -11.766 17.620 610 1HG GLU 79 HG2 GLU 79 -10.153 -12.902 19.090 611 2HG GLU 79 HG1 GLU 79 -10.329 -11.412 18.164 No H/Q in entry = 611 Start of MODEL 51 1 H1 THR 1 HT2 THR 1 0.637 -1.406 17.171 2 H2 THR 1 HT1 THR 1 1.816 -0.615 16.207 3 H3 THR 1 HT3 THR 1 0.281 -0.992 15.545 4 HA THR 1 HA THR 1 0.716 -3.309 15.747 5 HB THR 1 HB THR 1 2.725 -3.330 14.131 6 HG1 THR 1 HG1 THR 1 3.820 -1.523 14.457 7 1HG2 THR 1 1HG2 THR 1 0.353 -3.219 13.390 8 2HG2 THR 1 3HG2 THR 1 0.499 -1.462 13.371 9 3HG2 THR 1 2HG2 THR 1 1.501 -2.442 12.300 10 H GLN 2 HN GLN 2 1.333 -4.481 17.461 11 HA GLN 2 HA GLN 2 4.157 -4.327 18.290 12 1HB GLN 2 HB2 GLN 2 1.685 -4.485 19.996 13 2HB GLN 2 HB1 GLN 2 3.234 -5.060 20.592 14 1HG GLN 2 HG2 GLN 2 3.161 -2.907 21.396 15 2HG GLN 2 HG1 GLN 2 4.101 -2.723 19.916 16 1HE2 GLN 2 1HE2 GLN 2 3.590 -0.913 18.912 17 2HE2 GLN 2 2HE2 GLN 2 2.004 -0.247 18.755 18 H GLN 3 HN GLN 3 5.167 -6.270 18.820 19 HA GLN 3 HA GLN 3 3.624 -8.715 18.282 20 1HB GLN 3 HB2 GLN 3 5.002 -8.248 16.336 21 2HB GLN 3 HB1 GLN 3 6.427 -8.069 17.348 22 1HG GLN 3 HG2 GLN 3 6.552 -10.194 16.315 23 2HG GLN 3 HG1 GLN 3 6.162 -10.462 18.011 24 1HE2 GLN 3 1HE2 GLN 3 5.505 -11.515 15.017 25 2HE2 GLN 3 2HE2 GLN 3 3.895 -12.102 15.239 26 HA PRO 4 HA PRO 4 5.466 -9.344 22.398 27 1HB PRO 4 HB2 PRO 4 3.578 -11.037 23.297 28 2HB PRO 4 HB1 PRO 4 3.322 -9.290 23.243 29 1HG PRO 4 HG2 PRO 4 2.393 -11.400 21.332 30 2HG PRO 4 HG1 PRO 4 1.504 -10.009 21.980 31 1HD PRO 4 HD2 PRO 4 2.652 -10.037 19.506 32 2HD PRO 4 HD1 PRO 4 2.421 -8.558 20.458 33 H GLN 5 HN GLN 5 5.204 -11.293 19.689 34 HA GLN 5 HA GLN 5 5.830 -13.837 20.809 35 1HB GLN 5 HB2 GLN 5 6.118 -12.766 18.000 36 2HB GLN 5 HB1 GLN 5 6.397 -14.443 18.450 37 1HG GLN 5 HG2 GLN 5 3.801 -12.941 18.694 38 2HG GLN 5 HG1 GLN 5 4.196 -14.164 17.488 39 1HE2 GLN 5 1HE2 GLN 5 5.078 -16.263 18.613 40 2HE2 GLN 5 2HE2 GLN 5 4.086 -16.851 19.898 41 H GLN 6 HN GLN 6 7.772 -14.985 20.694 42 HA GLN 6 HA GLN 6 9.937 -15.020 21.568 43 1HB GLN 6 HB2 GLN 6 10.108 -14.336 18.637 44 2HB GLN 6 HB1 GLN 6 11.486 -14.883 19.580 45 1HG GLN 6 HG2 GLN 6 10.873 -16.909 18.864 46 2HG GLN 6 HG1 GLN 6 9.686 -16.812 20.163 47 1HE2 GLN 6 1HE2 GLN 6 7.639 -17.135 19.626 48 2HE2 GLN 6 2HE2 GLN 6 6.981 -17.020 18.034 49 H ASP 7 HN ASP 7 11.128 -12.726 19.248 50 HA ASP 7 HA ASP 7 12.399 -11.201 21.284 51 1HB ASP 7 HB2 ASP 7 13.295 -11.617 18.954 52 2HB ASP 7 HB1 ASP 7 12.125 -10.435 18.375 53 H GLU 8 HN GLU 8 10.873 -10.250 22.607 54 HA GLU 8 HA GLU 8 8.681 -8.714 21.626 55 1HB GLU 8 HB2 GLU 8 9.657 -9.598 24.172 56 2HB GLU 8 HB1 GLU 8 9.346 -7.869 24.257 57 1HG GLU 8 HG2 GLU 8 7.311 -9.747 23.121 58 2HG GLU 8 HG1 GLU 8 7.459 -9.501 24.860 59 H MET 9 HN MET 9 8.551 -6.332 22.734 60 HA MET 9 HA MET 9 10.338 -4.737 21.208 61 1HB MET 9 HB2 MET 9 8.303 -4.043 23.327 62 2HB MET 9 HB1 MET 9 9.243 -2.828 22.471 63 1HG MET 9 HG2 MET 9 8.225 -3.323 20.420 64 2HG MET 9 HG1 MET 9 7.572 -4.848 21.017 65 1HE MET 9 HE2 MET 9 5.999 -4.701 23.358 66 2HE MET 9 HE1 MET 9 4.462 -3.932 22.963 67 3HE MET 9 HE3 MET 9 5.174 -5.101 21.851 68 HA PRO 10 HA PRO 10 13.666 -4.754 24.213 69 1HB PRO 10 HB2 PRO 10 15.254 -2.961 22.899 70 2HB PRO 10 HB1 PRO 10 15.140 -4.671 22.464 71 1HG PRO 10 HG2 PRO 10 13.777 -2.308 21.234 72 2HG PRO 10 HG1 PRO 10 14.534 -3.702 20.442 73 1HD PRO 10 HD2 PRO 10 11.864 -3.506 20.754 74 2HD PRO 10 HD1 PRO 10 12.708 -5.067 20.817 75 H SER 11 HN SER 11 13.978 -3.596 26.011 76 HA SER 11 HA SER 11 12.529 -1.175 26.444 77 1HB SER 11 HB2 SER 11 14.383 -2.844 28.119 78 2HB SER 11 HB1 SER 11 13.870 -1.252 28.677 79 HG SER 11 HG SER 11 12.372 -3.582 28.305 80 HA PRO 12 HA PRO 12 16.925 0.858 26.690 81 1HB PRO 12 HB2 PRO 12 19.002 -0.519 25.598 82 2HB PRO 12 HB1 PRO 12 18.549 -0.644 27.301 83 1HG PRO 12 HG2 PRO 12 17.899 -2.478 25.028 84 2HG PRO 12 HG1 PRO 12 18.412 -2.878 26.677 85 1HD PRO 12 HD2 PRO 12 15.835 -3.012 25.890 86 2HD PRO 12 HD1 PRO 12 16.300 -2.569 27.544 87 H THR 13 HN THR 13 18.727 1.429 24.845 88 HA THR 13 HA THR 13 17.179 2.286 22.609 89 HB THR 13 HB THR 13 19.492 3.062 21.766 90 HG1 THR 13 HG1 THR 13 20.968 1.989 22.877 91 1HG2 THR 13 2HG2 THR 13 17.948 4.591 22.868 92 2HG2 THR 13 1HG2 THR 13 18.554 4.070 24.440 93 3HG2 THR 13 3HG2 THR 13 19.621 4.916 23.319 94 H PHE 14 HN PHE 14 16.520 0.846 21.158 95 HA PHE 14 HA PHE 14 18.544 -0.855 19.868 96 1HB PHE 14 HB2 PHE 14 16.002 -1.662 21.154 97 2HB PHE 14 HB1 PHE 14 16.320 -2.379 19.579 98 HD1 PHE 14 HD1 PHE 14 17.746 -4.205 19.379 99 HD2 PHE 14 HD2 PHE 14 17.811 -1.877 22.941 100 HE1 PHE 14 HE1 PHE 14 19.226 -5.864 20.432 101 HE2 PHE 14 HE2 PHE 14 19.292 -3.531 24.000 102 HZ PHE 14 HZ PHE 14 20.001 -5.528 22.745 103 H LEU 15 HN LEU 15 15.133 0.161 19.544 104 HA LEU 15 HA LEU 15 15.054 -0.001 16.734 105 1HB LEU 15 HB2 LEU 15 13.370 1.356 18.802 106 2HB LEU 15 HB1 LEU 15 13.094 1.702 17.106 107 HG LEU 15 HG LEU 15 12.972 -0.915 16.895 108 1HD1 LEU 15 2HD1 LEU 15 12.398 -0.436 19.811 109 2HD1 LEU 15 1HD1 LEU 15 11.893 -1.880 18.931 110 3HD1 LEU 15 3HD1 LEU 15 13.608 -1.512 19.113 111 1HD2 LEU 15 2HD2 LEU 15 11.150 0.622 16.388 112 2HD2 LEU 15 1HD2 LEU 15 10.556 -0.796 17.254 113 3HD2 LEU 15 3HD2 LEU 15 10.757 0.736 18.103 114 H THR 16 HN THR 16 16.161 2.509 18.897 115 HA THR 16 HA THR 16 16.073 4.738 17.223 116 HB THR 16 HB THR 16 18.053 5.533 18.628 117 HG1 THR 16 HG1 THR 16 19.036 3.774 19.370 118 1HG2 THR 16 2HG2 THR 16 15.744 6.044 19.263 119 2HG2 THR 16 1HG2 THR 16 15.665 4.523 20.153 120 3HG2 THR 16 3HG2 THR 16 16.785 5.787 20.664 121 H GLN 17 HN GLN 17 18.255 2.011 17.189 122 HA GLN 17 HA GLN 17 20.410 3.152 15.794 123 1HB GLN 17 HB2 GLN 17 20.260 0.862 16.947 124 2HB GLN 17 HB1 GLN 17 19.526 0.294 15.455 125 1HG GLN 17 HG2 GLN 17 21.993 1.768 15.008 126 2HG GLN 17 HG1 GLN 17 22.212 0.348 16.030 127 1HE2 GLN 17 1HE2 GLN 17 21.562 1.513 12.859 128 2HE2 GLN 17 2HE2 GLN 17 21.534 -0.021 12.066 129 H VAL 18 HN VAL 18 17.381 1.747 14.667 130 HA VAL 18 HA VAL 18 17.536 1.213 12.096 131 HB VAL 18 HB VAL 18 15.421 1.488 13.409 132 1HG1 VAL 18 3HG1 VAL 18 15.912 3.912 13.989 133 2HG1 VAL 18 2HG1 VAL 18 15.367 4.303 12.357 134 3HG1 VAL 18 1HG1 VAL 18 14.262 3.533 13.496 135 1HG2 VAL 18 2HG2 VAL 18 15.553 0.976 10.954 136 2HG2 VAL 18 1HG2 VAL 18 14.045 1.721 11.487 137 3HG2 VAL 18 3HG2 VAL 18 15.262 2.689 10.654 138 H LYS 19 HN LYS 19 17.766 4.577 13.246 139 HA LYS 19 HA LYS 19 17.666 5.933 10.853 140 1HB LYS 19 HB2 LYS 19 19.314 6.511 13.314 141 2HB LYS 19 HB1 LYS 19 19.159 7.635 11.971 142 1HG LYS 19 HG2 LYS 19 16.765 6.567 13.431 143 2HG LYS 19 HG1 LYS 19 17.647 7.993 13.981 144 1HD LYS 19 HD2 LYS 19 17.140 9.187 12.001 145 2HD LYS 19 HD1 LYS 19 16.574 7.730 11.182 146 1HE LYS 19 HE2 LYS 19 14.588 8.761 11.758 147 2HE LYS 19 HE1 LYS 19 14.825 7.645 13.101 148 1HZ LYS 19 HZ2 LYS 19 15.548 10.527 13.122 149 2HZ LYS 19 HZ1 LYS 19 14.177 9.859 13.852 150 3HZ LYS 19 HZ3 LYS 19 15.720 9.452 14.416 151 H GLU 20 HN GLU 20 20.586 4.574 12.392 152 HA GLU 20 HA GLU 20 22.364 5.349 10.345 153 1HB GLU 20 HB2 GLU 20 22.667 4.247 12.818 154 2HB GLU 20 HB1 GLU 20 23.029 2.868 11.790 155 1HG GLU 20 HG2 GLU 20 24.387 5.554 11.711 156 2HG GLU 20 HG1 GLU 20 25.051 4.064 12.378 157 H SER 21 HN SER 21 20.210 2.642 10.674 158 HA SER 21 HA SER 21 21.355 0.913 8.762 159 1HB SER 21 HB2 SER 21 18.390 1.128 9.300 160 2HB SER 21 HB1 SER 21 19.309 -0.296 8.815 161 HG SER 21 HG SER 21 18.774 -0.267 11.063 162 H LEU 22 HN LEU 22 18.946 3.501 8.486 163 HA LEU 22 HA LEU 22 18.491 3.144 5.694 164 1HB LEU 22 HB2 LEU 22 17.829 5.267 7.696 165 2HB LEU 22 HB1 LEU 22 17.636 5.610 5.987 166 HG LEU 22 HG LEU 22 16.253 3.362 6.018 167 1HD1 LEU 22 2HD1 LEU 22 16.129 4.302 8.878 168 2HD1 LEU 22 1HD1 LEU 22 14.969 3.195 8.144 169 3HD1 LEU 22 3HD1 LEU 22 16.663 2.727 8.288 170 1HD2 LEU 22 1HD2 LEU 22 15.397 5.563 5.390 171 2HD2 LEU 22 3HD2 LEU 22 14.230 4.675 6.369 172 3HD2 LEU 22 2HD2 LEU 22 15.183 5.968 7.094 173 H SER 23 HN SER 23 20.632 5.206 7.616 174 HA SER 23 HA SER 23 21.567 6.868 5.570 175 1HB SER 23 HB2 SER 23 22.019 7.353 7.920 176 2HB SER 23 HB1 SER 23 23.008 5.900 8.052 177 HG SER 23 HG SER 23 24.610 6.892 7.085 178 H SER 24 HN SER 24 22.973 3.839 6.821 179 HA SER 24 HA SER 24 25.082 3.711 4.946 180 1HB SER 24 HB2 SER 24 25.215 1.301 5.615 181 2HB SER 24 HB1 SER 24 25.200 2.413 6.984 182 HG SER 24 HG SER 24 23.304 1.670 7.580 183 H TYR 25 HN TYR 25 21.719 3.103 4.621 184 HA TYR 25 HA TYR 25 21.972 1.301 2.372 185 1HB TYR 25 HB2 TYR 25 20.053 1.048 3.845 186 2HB TYR 25 HB1 TYR 25 19.571 2.715 3.555 187 HD1 TYR 25 HD1 TYR 25 19.890 -0.618 1.985 188 HD2 TYR 25 HD2 TYR 25 18.275 3.304 1.654 189 HE1 TYR 25 HE1 TYR 25 18.503 -1.355 0.093 190 HE2 TYR 25 HE2 TYR 25 16.883 2.578 -0.237 191 HH TYR 25 HH TYR 25 17.307 0.302 -2.068 192 H TRP 26 HN TRP 26 21.165 4.705 2.935 193 HA TRP 26 HA TRP 26 20.544 5.383 0.271 194 1HB TRP 26 HB2 TRP 26 21.438 6.988 2.655 195 2HB TRP 26 HB1 TRP 26 21.189 7.749 1.087 196 HD1 TRP 26 HD1 TRP 26 18.849 4.991 2.383 197 HE1 TRP 26 HE1 TRP 26 16.518 6.011 2.759 198 HE3 TRP 26 HE3 TRP 26 19.971 9.912 1.561 199 HZ2 TRP 26 HZ2 TRP 26 15.312 8.562 2.715 200 HZ3 TRP 26 HZ3 TRP 26 18.170 11.577 1.748 201 HH2 TRP 26 HH2 TRP 26 15.890 10.915 2.311 202 H GLU 27 HN GLU 27 23.573 5.297 2.049 203 HA GLU 27 HA GLU 27 25.350 6.669 0.543 204 1HB GLU 27 HB2 GLU 27 25.491 4.298 2.250 205 2HB GLU 27 HB1 GLU 27 26.749 4.330 1.023 206 1HG GLU 27 HG2 GLU 27 27.720 5.392 2.838 207 2HG GLU 27 HG1 GLU 27 27.194 6.724 1.811 208 H SER 28 HN SER 28 24.583 3.239 -0.036 209 HA SER 28 HA SER 28 25.702 3.403 -2.716 210 1HB SER 28 HB2 SER 28 24.581 1.089 -1.123 211 2HB SER 28 HB1 SER 28 25.203 0.942 -2.767 212 HG SER 28 HG SER 28 26.569 1.404 -0.375 213 H ALA 29 HN ALA 29 22.680 3.929 -1.297 214 HA ALA 29 HA ALA 29 20.915 2.756 -3.142 215 1HB ALA 29 HB1 ALA 29 20.161 3.671 -1.015 216 2HB ALA 29 HB2 ALA 29 19.265 4.379 -2.358 217 3HB ALA 29 HB3 ALA 29 20.544 5.301 -1.569 218 H LYS 30 HN LYS 30 22.843 5.677 -3.366 219 HA LYS 30 HA LYS 30 21.510 7.072 -5.344 220 1HB LYS 30 HB2 LYS 30 23.698 7.623 -4.023 221 2HB LYS 30 HB1 LYS 30 24.499 6.893 -5.405 222 1HG LYS 30 HG2 LYS 30 22.477 9.056 -5.809 223 2HG LYS 30 HG1 LYS 30 24.132 9.453 -5.341 224 1HD LYS 30 HD2 LYS 30 23.436 7.738 -7.723 225 2HD LYS 30 HD1 LYS 30 23.683 9.482 -7.814 226 1HE LYS 30 HE2 LYS 30 25.844 9.042 -8.131 227 2HE LYS 30 HE1 LYS 30 25.904 8.566 -6.436 228 1HZ LYS 30 HZ3 LYS 30 25.141 6.649 -8.556 229 2HZ LYS 30 HZ2 LYS 30 26.760 6.919 -8.149 230 3HZ LYS 30 HZ1 LYS 30 25.685 6.323 -6.986 231 H THR 31 HN THR 31 24.084 4.662 -5.866 232 HA THR 31 HA THR 31 24.143 4.623 -8.616 233 HB THR 31 HB THR 31 24.909 2.275 -8.448 234 HG1 THR 31 HG1 THR 31 23.889 1.265 -6.885 235 1HG2 THR 31 1HG2 THR 31 26.462 4.151 -7.884 236 2HG2 THR 31 3HG2 THR 31 26.095 3.853 -6.185 237 3HG2 THR 31 2HG2 THR 31 26.863 2.596 -7.155 238 H ALA 32 HN ALA 32 21.830 3.138 -6.434 239 HA ALA 32 HA ALA 32 20.461 1.549 -8.318 240 1HB ALA 32 HB2 ALA 32 18.989 2.802 -6.046 241 2HB ALA 32 HB1 ALA 32 18.909 1.155 -6.670 242 3HB ALA 32 HB3 ALA 32 20.291 1.665 -5.701 243 H ALA 33 HN ALA 33 20.038 4.930 -7.299 244 HA ALA 33 HA ALA 33 17.673 5.563 -8.568 245 1HB ALA 33 HB3 ALA 33 19.071 7.070 -7.102 246 2HB ALA 33 HB2 ALA 33 20.045 7.412 -8.532 247 3HB ALA 33 HB1 ALA 33 18.335 7.839 -8.508 248 H GLN 34 HN GLN 34 20.914 5.957 -10.006 249 HA GLN 34 HA GLN 34 19.928 6.536 -12.591 250 1HB GLN 34 HB2 GLN 34 22.316 6.879 -11.571 251 2HB GLN 34 HB1 GLN 34 22.602 5.243 -12.151 252 1HG GLN 34 HG2 GLN 34 21.561 6.340 -14.370 253 2HG GLN 34 HG1 GLN 34 22.304 7.765 -13.644 254 1HE2 GLN 34 1HE2 GLN 34 24.602 7.299 -12.793 255 2HE2 GLN 34 2HE2 GLN 34 25.630 6.432 -13.878 256 H ASN 35 HN ASN 35 20.767 3.562 -10.923 257 HA ASN 35 HA ASN 35 20.707 1.830 -13.144 258 1HB ASN 35 HB2 ASN 35 21.509 1.365 -10.723 259 2HB ASN 35 HB1 ASN 35 19.823 0.973 -10.400 260 1HD2 ASN 35 1HD2 ASN 35 18.916 -0.863 -11.317 261 2HD2 ASN 35 2HD2 ASN 35 19.877 -2.101 -12.042 262 H LEU 36 HN LEU 36 18.177 3.275 -11.267 263 HA LEU 36 HA LEU 36 16.023 1.599 -11.868 264 1HB LEU 36 HB2 LEU 36 16.171 3.715 -10.329 265 2HB LEU 36 HB1 LEU 36 15.721 4.587 -11.783 266 HG LEU 36 HG LEU 36 13.745 2.871 -11.867 267 1HD1 LEU 36 2HD1 LEU 36 14.531 2.793 -8.958 268 2HD1 LEU 36 1HD1 LEU 36 12.992 2.227 -9.609 269 3HD1 LEU 36 3HD1 LEU 36 14.496 1.432 -10.079 270 1HD2 LEU 36 3HD2 LEU 36 13.859 5.132 -9.876 271 2HD2 LEU 36 2HD2 LEU 36 13.481 5.270 -11.593 272 3HD2 LEU 36 1HD2 LEU 36 12.388 4.402 -10.516 273 H TYR 37 HN TYR 37 17.413 4.374 -13.516 274 HA TYR 37 HA TYR 37 15.694 4.367 -15.774 275 1HB TYR 37 HB2 TYR 37 18.512 5.413 -15.410 276 2HB TYR 37 HB1 TYR 37 17.558 5.669 -16.865 277 HD1 TYR 37 HD1 TYR 37 15.568 7.118 -16.806 278 HD2 TYR 37 HD2 TYR 37 18.072 6.652 -13.399 279 HE1 TYR 37 HE1 TYR 37 14.558 9.119 -15.797 280 HE2 TYR 37 HE2 TYR 37 17.068 8.651 -12.380 281 HH TYR 37 HH TYR 37 15.643 10.912 -13.776 282 H GLU 38 HN GLU 38 18.710 2.745 -14.969 283 HA GLU 38 HA GLU 38 19.378 1.708 -17.475 284 1HB GLU 38 HB2 GLU 38 20.067 1.065 -14.679 285 2HB GLU 38 HB1 GLU 38 20.282 -0.250 -15.823 286 1HG GLU 38 HG2 GLU 38 22.349 0.781 -15.798 287 2HG GLU 38 HG1 GLU 38 21.579 1.461 -17.230 288 H LYS 39 HN LYS 39 17.582 0.109 -14.865 289 HA LYS 39 HA LYS 39 16.967 -2.246 -16.223 290 1HB LYS 39 HB2 LYS 39 16.242 -0.990 -13.743 291 2HB LYS 39 HB1 LYS 39 14.811 -1.694 -14.484 292 1HG LYS 39 HG2 LYS 39 17.236 -3.381 -14.426 293 2HG LYS 39 HG1 LYS 39 16.451 -3.057 -12.880 294 1HD LYS 39 HD2 LYS 39 14.357 -3.663 -14.605 295 2HD LYS 39 HD1 LYS 39 15.632 -4.801 -15.047 296 1HE LYS 39 HE2 LYS 39 15.760 -5.649 -12.834 297 2HE LYS 39 HE1 LYS 39 14.761 -4.341 -12.203 298 1HZ LYS 39 HZ3 LYS 39 12.936 -5.243 -13.639 299 2HZ LYS 39 HZ2 LYS 39 13.907 -6.598 -13.922 300 3HZ LYS 39 HZ1 LYS 39 13.394 -6.241 -12.351 301 H THR 40 HN THR 40 15.749 0.904 -16.791 302 HA THR 40 HA THR 40 13.145 0.175 -17.707 303 HB THR 40 HB THR 40 14.750 2.598 -18.532 304 HG1 THR 40 HG1 THR 40 14.092 3.572 -16.712 305 1HG2 THR 40 1HG2 THR 40 11.781 2.146 -18.358 306 2HG2 THR 40 3HG2 THR 40 12.561 3.695 -18.683 307 3HG2 THR 40 2HG2 THR 40 12.732 2.363 -19.828 308 H TYR 41 HN TYR 41 16.217 0.805 -19.315 309 HA TYR 41 HA TYR 41 15.319 0.325 -21.956 310 1HB TYR 41 HB2 TYR 41 18.164 -0.196 -21.176 311 2HB TYR 41 HB1 TYR 41 17.529 0.564 -22.629 312 HD1 TYR 41 HD1 TYR 41 16.040 2.805 -21.910 313 HD2 TYR 41 HD2 TYR 41 19.420 1.214 -19.875 314 HE1 TYR 41 HE1 TYR 41 16.491 5.020 -20.940 315 HE2 TYR 41 HE2 TYR 41 19.881 3.423 -18.899 316 HH TYR 41 HH TYR 41 19.061 6.082 -19.889 317 H LEU 42 HN LEU 42 16.810 -1.780 -19.522 318 HA LEU 42 HA LEU 42 16.924 -4.049 -21.287 319 1HB LEU 42 HB2 LEU 42 17.246 -3.994 -18.290 320 2HB LEU 42 HB1 LEU 42 17.760 -5.268 -19.378 321 HG LEU 42 HG LEU 42 18.911 -2.601 -19.917 322 1HD1 LEU 42 3HD1 LEU 42 18.883 -2.683 -17.443 323 2HD1 LEU 42 2HD1 LEU 42 19.796 -4.190 -17.515 324 3HD1 LEU 42 1HD1 LEU 42 20.510 -2.697 -18.125 325 1HD2 LEU 42 2HD2 LEU 42 19.537 -4.599 -21.184 326 2HD2 LEU 42 1HD2 LEU 42 20.912 -3.933 -20.305 327 3HD2 LEU 42 3HD2 LEU 42 20.089 -5.369 -19.696 328 HA PRO 43 HA PRO 43 12.918 -5.701 -20.258 329 1HB PRO 43 HB2 PRO 43 13.084 -8.009 -21.572 330 2HB PRO 43 HB1 PRO 43 13.146 -6.469 -22.438 331 1HG PRO 43 HG2 PRO 43 15.347 -8.359 -21.776 332 2HG PRO 43 HG1 PRO 43 15.141 -7.328 -23.200 333 1HD PRO 43 HD2 PRO 43 16.729 -6.781 -20.923 334 2HD PRO 43 HD1 PRO 43 16.329 -5.657 -22.235 335 H ALA 44 HN ALA 44 15.217 -6.218 -18.296 336 HA ALA 44 HA ALA 44 15.096 -8.892 -17.397 337 1HB ALA 44 HB2 ALA 44 16.172 -6.343 -16.366 338 2HB ALA 44 HB1 ALA 44 15.863 -7.610 -15.177 339 3HB ALA 44 HB3 ALA 44 16.943 -7.920 -16.536 340 H VAL 45 HN VAL 45 12.850 -6.344 -17.087 341 HA VAL 45 HA VAL 45 11.672 -6.528 -14.666 342 HB VAL 45 HB VAL 45 9.459 -6.100 -15.813 343 1HG1 VAL 45 2HG1 VAL 45 11.012 -4.328 -15.078 344 2HG1 VAL 45 1HG1 VAL 45 11.762 -4.356 -16.674 345 3HG1 VAL 45 3HG1 VAL 45 10.075 -3.871 -16.500 346 1HG2 VAL 45 3HG2 VAL 45 11.177 -6.611 -18.203 347 2HG2 VAL 45 2HG2 VAL 45 9.513 -7.102 -17.888 348 3HG2 VAL 45 1HG2 VAL 45 9.874 -5.428 -18.305 349 H ASP 46 HN ASP 46 10.920 -8.710 -17.389 350 HA ASP 46 HA ASP 46 9.125 -10.296 -15.825 351 1HB ASP 46 HB2 ASP 46 10.436 -10.930 -18.478 352 2HB ASP 46 HB1 ASP 46 9.072 -11.789 -17.770 353 H GLU 47 HN GLU 47 12.559 -10.448 -16.562 354 HA GLU 47 HA GLU 47 12.963 -13.159 -15.811 355 1HB GLU 47 HB2 GLU 47 14.540 -11.755 -17.174 356 2HB GLU 47 HB1 GLU 47 14.983 -10.913 -15.698 357 1HG GLU 47 HG2 GLU 47 16.430 -12.886 -16.614 358 2HG GLU 47 HG1 GLU 47 16.182 -12.674 -14.885 359 H LYS 48 HN LYS 48 13.357 -10.107 -14.019 360 HA LYS 48 HA LYS 48 14.337 -11.117 -11.626 361 1HB LYS 48 HB2 LYS 48 13.307 -8.637 -12.568 362 2HB LYS 48 HB1 LYS 48 12.530 -8.988 -11.031 363 1HG LYS 48 HG2 LYS 48 14.360 -7.906 -10.258 364 2HG LYS 48 HG1 LYS 48 15.027 -9.538 -10.324 365 1HD LYS 48 HD2 LYS 48 15.234 -7.806 -12.741 366 2HD LYS 48 HD1 LYS 48 16.311 -7.492 -11.380 367 1HE LYS 48 HE2 LYS 48 17.637 -9.059 -12.257 368 2HE LYS 48 HE1 LYS 48 16.453 -10.227 -11.673 369 1HZ LYS 48 HZ1 LYS 48 15.452 -9.352 -14.072 370 2HZ LYS 48 HZ3 LYS 48 17.114 -9.512 -14.352 371 3HZ LYS 48 HZ2 LYS 48 16.220 -10.830 -13.783 372 H LEU 49 HN LEU 49 11.092 -11.261 -12.902 373 HA LEU 49 HA LEU 49 9.691 -11.729 -10.500 374 1HB LEU 49 HB2 LEU 49 9.159 -11.984 -13.373 375 2HB LEU 49 HB1 LEU 49 8.308 -13.167 -12.400 376 HG LEU 49 HG LEU 49 7.592 -11.092 -10.980 377 1HD1 LEU 49 3HD1 LEU 49 9.068 -9.506 -12.123 378 2HD1 LEU 49 2HD1 LEU 49 8.212 -9.806 -13.635 379 3HD1 LEU 49 1HD1 LEU 49 7.370 -9.052 -12.281 380 1HD2 LEU 49 1HD2 LEU 49 6.064 -12.515 -12.239 381 2HD2 LEU 49 3HD2 LEU 49 5.620 -10.815 -12.401 382 3HD2 LEU 49 2HD2 LEU 49 6.453 -11.639 -13.720 383 H ARG 50 HN ARG 50 10.648 -14.081 -13.011 384 HA ARG 50 HA ARG 50 10.229 -16.356 -11.397 385 1HB ARG 50 HB2 ARG 50 11.916 -15.954 -13.871 386 2HB ARG 50 HB1 ARG 50 11.665 -17.520 -13.115 387 1HG ARG 50 HG2 ARG 50 9.642 -15.765 -14.473 388 2HG ARG 50 HG1 ARG 50 10.140 -17.401 -14.904 389 1HD ARG 50 HD2 ARG 50 8.564 -16.572 -12.467 390 2HD ARG 50 HD1 ARG 50 7.953 -17.448 -13.868 391 HE ARG 50 HE ARG 50 10.082 -18.895 -12.734 392 1HH1 ARG 50 1HH1 ARG 50 6.768 -18.008 -12.037 393 2HH1 ARG 50 2HH1 ARG 50 6.470 -19.408 -11.063 394 1HH2 ARG 50 1HH2 ARG 50 9.685 -20.735 -11.447 395 2HH2 ARG 50 2HH2 ARG 50 8.125 -20.955 -10.727 396 H ASP 51 HN ASP 51 12.914 -14.143 -11.707 397 HA ASP 51 HA ASP 51 15.017 -15.702 -10.746 398 1HB ASP 51 HB2 ASP 51 14.420 -12.789 -10.799 399 2HB ASP 51 HB1 ASP 51 15.693 -13.322 -9.708 400 H LEU 52 HN LEU 52 12.916 -13.517 -8.865 401 HA LEU 52 HA LEU 52 13.870 -14.492 -6.354 402 1HB LEU 52 HB2 LEU 52 11.680 -12.645 -7.219 403 2HB LEU 52 HB1 LEU 52 11.713 -13.230 -5.566 404 HG LEU 52 HG LEU 52 14.187 -12.357 -5.609 405 1HD1 LEU 52 1HD1 LEU 52 12.899 -10.729 -7.795 406 2HD1 LEU 52 3HD1 LEU 52 14.432 -10.353 -7.008 407 3HD1 LEU 52 2HD1 LEU 52 14.271 -11.823 -7.969 408 1HD2 LEU 52 1HD2 LEU 52 12.412 -11.514 -4.159 409 2HD2 LEU 52 3HD2 LEU 52 13.410 -10.199 -4.778 410 3HD2 LEU 52 2HD2 LEU 52 11.816 -10.497 -5.472 411 H TYR 53 HN TYR 53 11.448 -15.548 -8.575 412 HA TYR 53 HA TYR 53 9.709 -16.851 -6.756 413 1HB TYR 53 HB2 TYR 53 9.422 -16.274 -9.309 414 2HB TYR 53 HB1 TYR 53 10.118 -17.874 -9.542 415 HD1 TYR 53 HD1 TYR 53 7.132 -16.058 -9.009 416 HD2 TYR 53 HD2 TYR 53 8.970 -19.815 -8.222 417 HE1 TYR 53 HE1 TYR 53 4.916 -17.063 -8.656 418 HE2 TYR 53 HE2 TYR 53 6.760 -20.829 -7.869 419 HH TYR 53 HH TYR 53 4.128 -19.907 -8.878 420 H SER 54 HN SER 54 12.383 -18.072 -8.779 421 HA SER 54 HA SER 54 12.288 -20.734 -7.889 422 1HB SER 54 HB2 SER 54 13.568 -19.758 -9.893 423 2HB SER 54 HB1 SER 54 14.830 -19.345 -8.732 424 HG SER 54 HG SER 54 14.018 -21.833 -9.675 425 H LYS 55 HN LYS 55 14.154 -17.947 -6.716 426 HA LYS 55 HA LYS 55 15.644 -19.300 -4.752 427 1HB LYS 55 HB2 LYS 55 14.741 -16.418 -4.897 428 2HB LYS 55 HB1 LYS 55 15.886 -17.029 -3.710 429 1HG LYS 55 HG2 LYS 55 17.537 -17.390 -5.298 430 2HG LYS 55 HG1 LYS 55 16.387 -17.394 -6.636 431 1HD LYS 55 HD2 LYS 55 15.987 -14.988 -6.264 432 2HD LYS 55 HD1 LYS 55 17.197 -15.005 -4.979 433 1HE LYS 55 HE2 LYS 55 18.673 -14.474 -6.568 434 2HE LYS 55 HE1 LYS 55 18.529 -16.150 -7.096 435 1HZ LYS 55 HZ2 LYS 55 16.828 -13.939 -8.112 436 2HZ LYS 55 HZ1 LYS 55 18.220 -14.496 -8.892 437 3HZ LYS 55 HZ3 LYS 55 16.892 -15.524 -8.696 438 H SER 56 HN SER 56 12.585 -17.484 -4.490 439 HA SER 56 HA SER 56 12.180 -17.922 -1.745 440 1HB SER 56 HB2 SER 56 9.901 -17.177 -2.120 441 2HB SER 56 HB1 SER 56 11.006 -16.193 -3.078 442 HG SER 56 HG SER 56 9.777 -16.742 -4.686 443 H THR 57 HN THR 57 11.830 -20.162 -4.354 444 HA THR 57 HA THR 57 9.731 -21.753 -3.444 445 HB THR 57 HB THR 57 12.231 -22.716 -4.850 446 HG1 THR 57 HG1 THR 57 9.847 -21.590 -5.892 447 1HG2 THR 57 2HG2 THR 57 9.444 -23.839 -4.752 448 2HG2 THR 57 1HG2 THR 57 10.690 -24.354 -5.890 449 3HG2 THR 57 3HG2 THR 57 10.926 -24.589 -4.158 450 H ALA 58 HN ALA 58 13.232 -22.208 -2.873 451 HA ALA 58 HA ALA 58 12.667 -24.138 -0.772 452 1HB ALA 58 HB2 ALA 58 14.483 -24.590 -2.337 453 2HB ALA 58 HB1 ALA 58 15.306 -23.119 -1.818 454 3HB ALA 58 HB3 ALA 58 15.087 -24.453 -0.685 455 H ALA 59 HN ALA 59 14.113 -20.910 -1.088 456 HA ALA 59 HA ALA 59 14.903 -20.591 1.589 457 1HB ALA 59 HB2 ALA 59 15.033 -18.205 1.089 458 2HB ALA 59 HB3 ALA 59 14.129 -18.463 -0.402 459 3HB ALA 59 HB1 ALA 59 15.733 -19.170 -0.209 460 H MET 60 HN MET 60 12.081 -19.057 0.004 461 HA MET 60 HA MET 60 10.906 -18.164 2.390 462 1HB MET 60 HB2 MET 60 10.347 -17.973 -0.357 463 2HB MET 60 HB1 MET 60 8.907 -18.664 0.375 464 1HG MET 60 HG2 MET 60 10.106 -16.331 1.735 465 2HG MET 60 HG1 MET 60 9.336 -16.042 0.177 466 1HE MET 60 HE3 MET 60 8.938 -17.418 3.769 467 2HE MET 60 HE2 MET 60 8.686 -15.673 3.767 468 3HE MET 60 HE1 MET 60 7.355 -16.756 4.177 469 H SER 61 HN SER 61 10.990 -21.343 1.078 470 HA SER 61 HA SER 61 8.524 -22.322 2.068 471 1HB SER 61 HB2 SER 61 10.858 -23.408 0.761 472 2HB SER 61 HB1 SER 61 10.349 -24.464 2.077 473 HG SER 61 HG SER 61 8.536 -24.898 1.051 474 H THR 62 HN THR 62 11.463 -21.517 3.669 475 HA THR 62 HA THR 62 10.805 -23.151 6.004 476 HB THR 62 HB THR 62 12.998 -22.388 6.885 477 HG1 THR 62 HG1 THR 62 13.674 -20.598 6.025 478 1HG2 THR 62 2HG2 THR 62 12.886 -24.435 5.503 479 2HG2 THR 62 1HG2 THR 62 13.282 -23.457 4.090 480 3HG2 THR 62 3HG2 THR 62 14.438 -23.601 5.414 481 H TYR 63 HN TYR 63 11.490 -19.758 5.166 482 HA TYR 63 HA TYR 63 10.779 -18.683 7.664 483 1HB TYR 63 HB2 TYR 63 12.149 -17.563 5.831 484 2HB TYR 63 HB1 TYR 63 10.620 -17.224 5.028 485 HD1 TYR 63 HD1 TYR 63 9.614 -15.184 5.441 486 HD2 TYR 63 HD2 TYR 63 12.224 -16.809 8.383 487 HE1 TYR 63 HE1 TYR 63 9.355 -13.144 6.788 488 HE2 TYR 63 HE2 TYR 63 11.971 -14.773 9.738 489 HH TYR 63 HH TYR 63 10.016 -12.897 9.902 490 H THR 64 HN THR 64 8.852 -19.980 5.134 491 HA THR 64 HA THR 64 6.561 -18.341 5.536 492 HB THR 64 HB THR 64 7.074 -20.944 4.159 493 HG1 THR 64 HG1 THR 64 7.107 -19.543 2.615 494 1HG2 THR 64 2HG2 THR 64 4.343 -19.947 4.899 495 2HG2 THR 64 1HG2 THR 64 4.634 -20.965 3.489 496 3HG2 THR 64 3HG2 THR 64 5.017 -21.564 5.102 497 H GLY 65 HN GLY 65 7.275 -21.670 6.566 498 1HA GLY 65 HA1 GLY 65 6.496 -22.875 8.368 499 2HA GLY 65 HA2 GLY 65 5.082 -21.826 8.362 500 H ILE 66 HN ILE 66 8.444 -20.825 8.681 501 HA ILE 66 HA ILE 66 8.519 -20.587 11.497 502 HB ILE 66 HB ILE 66 10.149 -19.236 9.344 503 1HG1 ILE 66 2HG1 ILE 66 11.071 -21.288 11.345 504 2HG1 ILE 66 1HG1 ILE 66 10.290 -21.768 9.842 505 1HG2 ILE 66 2HG2 ILE 66 10.338 -18.996 12.331 506 2HG2 ILE 66 1HG2 ILE 66 11.734 -18.734 11.286 507 3HG2 ILE 66 3HG2 ILE 66 10.306 -17.714 11.119 508 1HD1 ILE 66 1HD1 ILE 66 12.118 -20.198 8.786 509 2HD1 ILE 66 3HD1 ILE 66 12.960 -20.558 10.293 510 3HD1 ILE 66 2HD1 ILE 66 12.475 -21.870 9.219 511 H PHE 67 HN PHE 67 8.259 -18.022 9.022 512 HA PHE 67 HA PHE 67 7.740 -15.878 10.689 513 1HB PHE 67 HB2 PHE 67 8.155 -15.637 8.280 514 2HB PHE 67 HB1 PHE 67 6.581 -16.345 7.933 515 HD1 PHE 67 HD1 PHE 67 8.087 -13.531 9.863 516 HD2 PHE 67 HD2 PHE 67 4.810 -14.935 7.540 517 HE1 PHE 67 HE1 PHE 67 7.066 -11.296 9.961 518 HE2 PHE 67 HE2 PHE 67 3.783 -12.701 7.632 519 HZ PHE 67 HZ PHE 67 4.911 -10.878 8.845 520 H THR 68 HN THR 68 5.297 -17.875 9.032 521 HA THR 68 HA THR 68 3.082 -16.710 10.314 522 HB THR 68 HB THR 68 3.245 -19.479 9.121 523 HG1 THR 68 HG1 THR 68 3.678 -18.393 7.377 524 1HG2 THR 68 1HG2 THR 68 0.930 -17.622 9.585 525 2HG2 THR 68 3HG2 THR 68 0.869 -19.007 8.496 526 3HG2 THR 68 2HG2 THR 68 1.160 -19.252 10.218 527 H ASP 69 HN ASP 69 5.372 -18.977 11.453 528 HA ASP 69 HA ASP 69 3.839 -20.496 13.220 529 1HB ASP 69 HB2 ASP 69 6.499 -20.393 12.617 530 2HB ASP 69 HB1 ASP 69 6.491 -19.729 14.247 531 H GLN 70 HN GLN 70 5.689 -17.545 13.973 532 HA GLN 70 HA GLN 70 4.601 -17.293 16.582 533 1HB GLN 70 HB2 GLN 70 5.725 -15.144 16.658 534 2HB GLN 70 HB1 GLN 70 6.784 -16.356 15.954 535 1HG GLN 70 HG2 GLN 70 5.517 -15.264 13.763 536 2HG GLN 70 HG1 GLN 70 5.766 -13.883 14.828 537 1HE2 GLN 70 1HE2 GLN 70 7.305 -16.384 12.956 538 2HE2 GLN 70 2HE2 GLN 70 8.893 -15.705 12.986 539 H VAL 71 HN VAL 71 3.574 -16.091 13.450 540 HA VAL 71 HA VAL 71 1.820 -14.089 14.472 541 HB VAL 71 HB VAL 71 1.013 -13.717 12.330 542 1HG1 VAL 71 1HG1 VAL 71 3.722 -13.951 12.659 543 2HG1 VAL 71 3HG1 VAL 71 3.432 -14.847 11.168 544 3HG1 VAL 71 2HG1 VAL 71 2.910 -13.168 11.304 545 1HG2 VAL 71 1HG2 VAL 71 1.746 -16.535 11.561 546 2HG2 VAL 71 3HG2 VAL 71 0.121 -15.918 11.845 547 3HG2 VAL 71 2HG2 VAL 71 1.064 -15.325 10.479 548 H LEU 72 HN LEU 72 1.331 -17.401 13.325 549 HA LEU 72 HA LEU 72 -1.405 -17.624 13.865 550 1HB LEU 72 HB2 LEU 72 -0.029 -19.269 12.573 551 2HB LEU 72 HB1 LEU 72 0.687 -19.796 14.084 552 HG LEU 72 HG LEU 72 -1.746 -20.307 14.810 553 1HD1 LEU 72 3HD1 LEU 72 -2.069 -20.221 11.814 554 2HD1 LEU 72 2HD1 LEU 72 -3.238 -20.883 12.956 555 3HD1 LEU 72 1HD1 LEU 72 -2.860 -19.161 12.980 556 1HD2 LEU 72 3HD2 LEU 72 -0.014 -21.993 14.381 557 2HD2 LEU 72 2HD2 LEU 72 -1.605 -22.532 13.846 558 3HD2 LEU 72 1HD2 LEU 72 -0.424 -21.965 12.666 559 H SER 73 HN SER 73 1.471 -17.962 15.865 560 HA SER 73 HA SER 73 0.281 -19.046 18.158 561 1HB SER 73 HB2 SER 73 2.701 -17.285 17.801 562 2HB SER 73 HB1 SER 73 2.212 -17.893 19.381 563 HG SER 73 HG SER 73 3.297 -19.243 17.207 564 H VAL 74 HN VAL 74 0.498 -15.722 17.046 565 HA VAL 74 HA VAL 74 -0.574 -14.576 19.437 566 HB VAL 74 HB VAL 74 -0.689 -13.343 16.681 567 1HG1 VAL 74 2HG1 VAL 74 -0.761 -12.245 19.480 568 2HG1 VAL 74 1HG1 VAL 74 -0.419 -11.238 18.073 569 3HG1 VAL 74 3HG1 VAL 74 -1.966 -12.073 18.203 570 1HG2 VAL 74 1HG2 VAL 74 1.632 -14.001 18.286 571 2HG2 VAL 74 3HG2 VAL 74 1.540 -13.394 16.634 572 3HG2 VAL 74 2HG2 VAL 74 1.511 -12.267 17.989 573 H LEU 75 HN LEU 75 -1.935 -16.252 16.759 574 HA LEU 75 HA LEU 75 -4.518 -15.104 16.712 575 1HB LEU 75 HB2 LEU 75 -3.372 -16.732 15.040 576 2HB LEU 75 HB1 LEU 75 -4.001 -17.989 16.087 577 HG LEU 75 HG LEU 75 -6.031 -16.035 15.312 578 1HD1 LEU 75 2HD1 LEU 75 -4.643 -16.004 13.274 579 2HD1 LEU 75 1HD1 LEU 75 -4.808 -17.756 13.160 580 3HD1 LEU 75 3HD1 LEU 75 -6.230 -16.724 13.007 581 1HD2 LEU 75 2HD2 LEU 75 -5.821 -19.037 15.102 582 2HD2 LEU 75 1HD2 LEU 75 -6.555 -18.128 16.424 583 3HD2 LEU 75 3HD2 LEU 75 -7.282 -18.089 14.818 584 H LYS 76 HN LYS 76 -3.029 -17.622 18.602 585 HA LYS 76 HA LYS 76 -5.415 -18.556 19.860 586 1HB LYS 76 HB2 LYS 76 -2.530 -18.803 20.737 587 2HB LYS 76 HB1 LYS 76 -3.880 -19.689 21.432 588 1HG LYS 76 HG2 LYS 76 -3.700 -21.260 19.884 589 2HG LYS 76 HG1 LYS 76 -3.862 -20.064 18.597 590 1HD LYS 76 HD2 LYS 76 -1.371 -19.558 19.080 591 2HD LYS 76 HD1 LYS 76 -1.376 -21.123 19.893 592 1HE LYS 76 HE2 LYS 76 -2.351 -22.074 17.755 593 2HE LYS 76 HE1 LYS 76 -1.962 -20.529 17.001 594 1HZ LYS 76 HZ1 LYS 76 0.383 -21.029 17.998 595 2HZ LYS 76 HZ3 LYS 76 -0.159 -22.632 17.969 596 3HZ LYS 76 HZ2 LYS 76 -0.094 -21.735 16.537 597 H GLY 77 HN GLY 77 -2.965 -16.136 20.662 598 1HA GLY 77 HA1 GLY 77 -2.773 -14.758 22.528 599 2HA GLY 77 HA2 GLY 77 -4.146 -15.582 23.251 600 H GLU 78 HN GLU 78 -6.295 -15.118 22.179 601 HA GLU 78 HA GLU 78 -7.944 -13.659 21.632 602 1HB GLU 78 HB2 GLU 78 -5.997 -11.529 22.532 603 2HB GLU 78 HB1 GLU 78 -7.742 -11.366 22.404 604 1HG GLU 78 HG2 GLU 78 -6.218 -13.097 24.336 605 2HG GLU 78 HG1 GLU 78 -7.148 -11.645 24.703 606 H GLU 79 HN GLU 79 -6.001 -14.397 19.555 607 HA GLU 79 HA GLU 79 -5.745 -13.987 17.337 608 1HB GLU 79 HB2 GLU 79 -8.046 -12.611 17.905 609 2HB GLU 79 HB1 GLU 79 -7.025 -11.347 17.232 610 1HG GLU 79 HG2 GLU 79 -7.732 -13.959 15.910 611 2HG GLU 79 HG1 GLU 79 -8.385 -12.371 15.510 No H/Q in entry = 611 Start of MODEL 52 1 H1 THR 1 HT2 THR 1 26.967 12.169 41.600 2 H2 THR 1 HT1 THR 1 26.718 11.083 42.905 3 H3 THR 1 HT3 THR 1 28.280 11.253 42.218 4 HA THR 1 HA THR 1 27.519 10.354 40.166 5 HB THR 1 HB THR 1 26.761 8.642 42.549 6 HG1 THR 1 HG1 THR 1 28.769 8.987 43.052 7 1HG2 THR 1 3HG2 THR 1 27.782 7.869 39.826 8 2HG2 THR 1 2HG2 THR 1 27.616 6.775 41.201 9 3HG2 THR 1 1HG2 THR 1 26.186 7.527 40.494 10 H GLN 2 HN GLN 2 25.826 11.066 38.971 11 HA GLN 2 HA GLN 2 23.102 10.744 39.960 12 1HB GLN 2 HB2 GLN 2 24.421 12.368 37.885 13 2HB GLN 2 HB1 GLN 2 22.830 11.765 37.444 14 1HG GLN 2 HG2 GLN 2 21.972 12.724 39.592 15 2HG GLN 2 HG1 GLN 2 23.548 13.487 39.799 16 1HE2 GLN 2 1HE2 GLN 2 20.697 13.331 37.751 17 2HE2 GLN 2 2HE2 GLN 2 20.894 14.892 37.039 18 H GLN 3 HN GLN 3 22.084 8.893 39.630 19 HA GLN 3 HA GLN 3 22.927 6.806 38.013 20 1HB GLN 3 HB2 GLN 3 21.205 6.784 39.912 21 2HB GLN 3 HB1 GLN 3 20.028 7.256 38.695 22 1HG GLN 3 HG2 GLN 3 20.014 4.850 39.099 23 2HG GLN 3 HG1 GLN 3 20.466 5.235 37.440 24 1HE2 GLN 3 1HE2 GLN 3 22.536 4.790 36.725 25 2HE2 GLN 3 2HE2 GLN 3 23.650 3.829 37.632 26 HA PRO 4 HA PRO 4 19.523 8.243 34.719 27 1HB PRO 4 HB2 PRO 4 19.364 11.028 34.705 28 2HB PRO 4 HB1 PRO 4 18.144 9.929 35.352 29 1HG PRO 4 HG2 PRO 4 20.294 11.431 36.779 30 2HG PRO 4 HG1 PRO 4 18.626 11.101 37.285 31 1HD PRO 4 HD2 PRO 4 20.669 9.731 38.313 32 2HD PRO 4 HD1 PRO 4 19.130 8.928 37.948 33 H GLN 5 HN GLN 5 22.320 10.202 35.651 34 HA GLN 5 HA GLN 5 23.006 10.980 32.990 35 1HB GLN 5 HB2 GLN 5 24.025 11.422 35.666 36 2HB GLN 5 HB1 GLN 5 25.337 11.083 34.546 37 1HG GLN 5 HG2 GLN 5 25.179 13.359 34.384 38 2HG GLN 5 HG1 GLN 5 24.150 12.850 33.047 39 1HE2 GLN 5 1HE2 GLN 5 24.276 15.234 34.980 40 2HE2 GLN 5 2HE2 GLN 5 22.635 15.423 35.487 41 H GLN 6 HN GLN 6 24.028 8.372 35.163 42 HA GLN 6 HA GLN 6 26.090 7.367 33.495 43 1HB GLN 6 HB2 GLN 6 24.568 6.328 35.850 44 2HB GLN 6 HB1 GLN 6 25.529 5.200 34.906 45 1HG GLN 6 HG2 GLN 6 27.227 5.781 36.209 46 2HG GLN 6 HG1 GLN 6 27.263 7.291 35.300 47 1HE2 GLN 6 1HE2 GLN 6 27.490 8.950 36.619 48 2HE2 GLN 6 2HE2 GLN 6 26.718 9.145 38.151 49 H ASP 7 HN ASP 7 25.963 5.004 32.650 50 HA ASP 7 HA ASP 7 23.943 4.921 30.640 51 1HB ASP 7 HB2 ASP 7 26.152 4.054 30.150 52 2HB ASP 7 HB1 ASP 7 26.026 2.883 31.458 53 H GLU 8 HN GLU 8 21.905 4.657 31.403 54 HA GLU 8 HA GLU 8 21.218 2.861 33.503 55 1HB GLU 8 HB2 GLU 8 19.393 4.091 31.428 56 2HB GLU 8 HB1 GLU 8 18.904 3.392 32.965 57 1HG GLU 8 HG2 GLU 8 20.720 5.779 32.730 58 2HG GLU 8 HG1 GLU 8 18.968 5.893 32.885 59 H MET 9 HN MET 9 20.320 2.768 30.042 60 HA MET 9 HA MET 9 19.506 0.048 30.141 61 1HB MET 9 HB2 MET 9 19.461 0.217 27.648 62 2HB MET 9 HB1 MET 9 18.539 1.467 28.469 63 1HG MET 9 HG2 MET 9 19.715 3.073 27.502 64 2HG MET 9 HG1 MET 9 21.240 2.345 27.999 65 1HE MET 9 HE3 MET 9 22.837 2.280 26.450 66 2HE MET 9 HE2 MET 9 22.666 0.541 26.214 67 3HE MET 9 HE1 MET 9 22.795 1.611 24.819 68 HA PRO 10 HA PRO 10 23.692 -1.605 30.040 69 1HB PRO 10 HB2 PRO 10 22.323 -4.206 29.940 70 2HB PRO 10 HB1 PRO 10 23.432 -3.569 31.156 71 1HG PRO 10 HG2 PRO 10 20.805 -3.874 31.647 72 2HG PRO 10 HG1 PRO 10 21.747 -2.547 32.352 73 1HD PRO 10 HD2 PRO 10 19.879 -2.512 30.008 74 2HD PRO 10 HD1 PRO 10 20.072 -1.323 31.314 75 H SER 11 HN SER 11 21.248 -3.469 28.199 76 HA SER 11 HA SER 11 23.100 -4.119 26.123 77 1HB SER 11 HB2 SER 11 20.128 -4.493 26.457 78 2HB SER 11 HB1 SER 11 20.944 -4.912 24.951 79 HG SER 11 HG SER 11 22.002 -6.510 25.944 80 HA PRO 12 HA PRO 12 22.673 -0.604 23.478 81 1HB PRO 12 HB2 PRO 12 23.052 -1.729 21.039 82 2HB PRO 12 HB1 PRO 12 24.362 -1.505 22.204 83 1HG PRO 12 HG2 PRO 12 22.761 -3.964 21.605 84 2HG PRO 12 HG1 PRO 12 24.509 -3.801 21.851 85 1HD PRO 12 HD2 PRO 12 22.845 -4.690 23.791 86 2HD PRO 12 HD1 PRO 12 24.308 -3.749 24.148 87 H THR 13 HN THR 13 21.171 0.485 22.240 88 HA THR 13 HA THR 13 18.539 -0.610 22.127 89 HB THR 13 HB THR 13 18.037 1.566 20.886 90 HG1 THR 13 HG1 THR 13 19.967 2.168 20.071 91 1HG2 THR 13 1HG2 THR 13 17.810 1.285 23.360 92 2HG2 THR 13 3HG2 THR 13 19.426 1.975 23.514 93 3HG2 THR 13 2HG2 THR 13 18.122 2.932 22.812 94 H PHE 14 HN PHE 14 18.275 -2.278 20.743 95 HA PHE 14 HA PHE 14 19.464 -2.412 18.160 96 1HB PHE 14 HB2 PHE 14 17.895 -4.126 19.849 97 2HB PHE 14 HB1 PHE 14 17.205 -4.119 18.230 98 HD1 PHE 14 HD1 PHE 14 20.263 -4.797 20.176 99 HD2 PHE 14 HD2 PHE 14 18.280 -5.211 16.433 100 HE1 PHE 14 HE1 PHE 14 21.993 -6.382 19.440 101 HE2 PHE 14 HE2 PHE 14 20.008 -6.798 15.691 102 HZ PHE 14 HZ PHE 14 21.867 -7.386 17.195 103 H LEU 15 HN LEU 15 16.157 -1.717 19.277 104 HA LEU 15 HA LEU 15 15.018 -1.327 16.735 105 1HB LEU 15 HB2 LEU 15 14.271 -0.437 19.499 106 2HB LEU 15 HB1 LEU 15 13.354 0.115 18.111 107 HG LEU 15 HG LEU 15 13.301 -2.520 17.617 108 1HD1 LEU 15 3HD1 LEU 15 13.590 -2.256 20.600 109 2HD1 LEU 15 2HD1 LEU 15 12.853 -3.652 19.814 110 3HD1 LEU 15 1HD1 LEU 15 14.543 -3.254 19.501 111 1HD2 LEU 15 3HD2 LEU 15 11.476 -1.036 19.505 112 2HD2 LEU 15 2HD2 LEU 15 11.359 -1.073 17.745 113 3HD2 LEU 15 1HD2 LEU 15 11.084 -2.544 18.679 114 H THR 16 HN THR 16 16.256 1.057 19.084 115 HA THR 16 HA THR 16 15.794 3.355 17.573 116 HB THR 16 HB THR 16 18.032 2.877 19.549 117 HG1 THR 16 HG1 THR 16 16.318 2.582 20.768 118 1HG2 THR 16 2HG2 THR 16 16.805 5.401 18.495 119 2HG2 THR 16 1HG2 THR 16 17.675 5.330 20.028 120 3HG2 THR 16 3HG2 THR 16 18.505 4.933 18.523 121 H GLN 17 HN GLN 17 18.265 0.937 17.196 122 HA GLN 17 HA GLN 17 20.231 2.444 15.882 123 1HB GLN 17 HB2 GLN 17 19.831 -0.256 16.557 124 2HB GLN 17 HB1 GLN 17 20.079 -0.230 14.816 125 1HG GLN 17 HG2 GLN 17 22.212 -0.500 15.676 126 2HG GLN 17 HG1 GLN 17 22.123 1.223 15.317 127 1HE2 GLN 17 1HE2 GLN 17 21.904 2.702 17.049 128 2HE2 GLN 17 2HE2 GLN 17 22.355 2.264 18.658 129 H VAL 18 HN VAL 18 17.267 0.987 14.691 130 HA VAL 18 HA VAL 18 17.377 0.685 12.078 131 HB VAL 18 HB VAL 18 15.157 1.800 11.801 132 1HG1 VAL 18 3HG1 VAL 18 15.706 -0.203 13.951 133 2HG1 VAL 18 2HG1 VAL 18 14.057 0.325 13.625 134 3HG1 VAL 18 1HG1 VAL 18 15.006 -0.440 12.350 135 1HG2 VAL 18 3HG2 VAL 18 15.855 2.810 14.507 136 2HG2 VAL 18 2HG2 VAL 18 14.975 3.595 13.198 137 3HG2 VAL 18 1HG2 VAL 18 14.175 2.379 14.193 138 H LYS 19 HN LYS 19 17.390 3.964 13.488 139 HA LYS 19 HA LYS 19 17.230 5.468 11.190 140 1HB LYS 19 HB2 LYS 19 18.417 7.248 12.422 141 2HB LYS 19 HB1 LYS 19 17.153 6.490 13.379 142 1HG LYS 19 HG2 LYS 19 19.131 5.005 14.249 143 2HG LYS 19 HG1 LYS 19 20.110 6.365 13.698 144 1HD LYS 19 HD2 LYS 19 17.713 6.957 15.356 145 2HD LYS 19 HD1 LYS 19 19.116 6.248 16.157 146 1HE LYS 19 HE2 LYS 19 19.740 8.409 16.358 147 2HE LYS 19 HE1 LYS 19 20.336 8.160 14.719 148 1HZ LYS 19 HZ1 LYS 19 17.681 9.294 15.422 149 2HZ LYS 19 HZ3 LYS 19 19.025 10.190 14.918 150 3HZ LYS 19 HZ2 LYS 19 18.293 9.096 13.858 151 H GLU 20 HN GLU 20 20.157 4.010 12.580 152 HA GLU 20 HA GLU 20 21.982 5.180 10.780 153 1HB GLU 20 HB2 GLU 20 22.108 2.670 12.441 154 2HB GLU 20 HB1 GLU 20 23.448 3.198 11.431 155 1HG GLU 20 HG2 GLU 20 24.155 4.489 13.075 156 2HG GLU 20 HG1 GLU 20 22.664 5.424 12.967 157 H SER 21 HN SER 21 19.926 2.374 10.548 158 HA SER 21 HA SER 21 21.165 1.109 8.356 159 1HB SER 21 HB2 SER 21 19.389 -0.344 8.376 160 2HB SER 21 HB1 SER 21 19.173 0.365 9.975 161 HG SER 21 HG SER 21 17.511 1.568 9.231 162 H LEU 22 HN LEU 22 18.796 3.714 8.555 163 HA LEU 22 HA LEU 22 18.200 3.793 5.769 164 1HB LEU 22 HB2 LEU 22 16.790 4.734 7.654 165 2HB LEU 22 HB1 LEU 22 17.933 6.061 7.739 166 HG LEU 22 HG LEU 22 17.395 6.442 5.251 167 1HD1 LEU 22 1HD1 LEU 22 15.043 4.729 6.040 168 2HD1 LEU 22 3HD1 LEU 22 15.158 5.694 4.568 169 3HD1 LEU 22 2HD1 LEU 22 16.262 4.342 4.826 170 1HD2 LEU 22 2HD2 LEU 22 16.695 7.932 7.062 171 2HD2 LEU 22 1HD2 LEU 22 15.456 7.806 5.813 172 3HD2 LEU 22 3HD2 LEU 22 15.267 6.932 7.334 173 H SER 23 HN SER 23 20.442 5.582 7.865 174 HA SER 23 HA SER 23 21.388 7.406 5.962 175 1HB SER 23 HB2 SER 23 22.971 6.199 8.245 176 2HB SER 23 HB1 SER 23 23.299 7.728 7.431 177 HG SER 23 HG SER 23 21.428 7.114 9.367 178 H SER 24 HN SER 24 22.679 4.230 6.912 179 HA SER 24 HA SER 24 24.793 4.177 5.045 180 1HB SER 24 HB2 SER 24 23.327 1.870 6.346 181 2HB SER 24 HB1 SER 24 24.876 1.755 5.513 182 HG SER 24 HG SER 24 24.267 2.818 8.009 183 H TYR 25 HN TYR 25 21.409 3.776 4.639 184 HA TYR 25 HA TYR 25 21.455 2.052 2.371 185 1HB TYR 25 HB2 TYR 25 19.488 2.854 4.025 186 2HB TYR 25 HB1 TYR 25 19.207 3.965 2.689 187 HD1 TYR 25 HD1 TYR 25 18.657 3.070 0.437 188 HD2 TYR 25 HD2 TYR 25 18.954 0.538 3.843 189 HE1 TYR 25 HE1 TYR 25 17.443 1.309 -0.774 190 HE2 TYR 25 HE2 TYR 25 17.742 -1.231 2.641 191 HH TYR 25 HH TYR 25 17.467 -1.614 -0.284 192 H TRP 26 HN TRP 26 21.364 5.574 2.790 193 HA TRP 26 HA TRP 26 21.039 6.246 0.072 194 1HB TRP 26 HB2 TRP 26 20.643 7.858 1.870 195 2HB TRP 26 HB1 TRP 26 22.349 7.819 2.303 196 HD1 TRP 26 HD1 TRP 26 19.928 9.349 -0.187 197 HE1 TRP 26 HE1 TRP 26 21.165 11.117 -1.589 198 HE3 TRP 26 HE3 TRP 26 24.713 8.388 1.332 199 HZ2 TRP 26 HZ2 TRP 26 23.820 11.987 -1.997 200 HZ3 TRP 26 HZ3 TRP 26 26.544 9.733 0.388 201 HH2 TRP 26 HH2 TRP 26 26.104 11.495 -1.243 202 H GLU 27 HN GLU 27 23.904 5.675 2.038 203 HA GLU 27 HA GLU 27 25.981 6.553 0.548 204 1HB GLU 27 HB2 GLU 27 25.587 4.249 2.350 205 2HB GLU 27 HB1 GLU 27 26.967 4.123 1.270 206 1HG GLU 27 HG2 GLU 27 27.833 5.096 3.193 207 2HG GLU 27 HG1 GLU 27 27.605 6.452 2.091 208 H SER 28 HN SER 28 24.545 3.316 0.142 209 HA SER 28 HA SER 28 25.793 3.083 -2.485 210 1HB SER 28 HB2 SER 28 24.284 1.091 -0.780 211 2HB SER 28 HB1 SER 28 24.922 0.730 -2.384 212 HG SER 28 HG SER 28 26.888 0.654 -1.595 213 H ALA 29 HN ALA 29 22.966 4.373 -1.334 214 HA ALA 29 HA ALA 29 20.978 3.298 -3.003 215 1HB ALA 29 HB3 ALA 29 20.391 4.695 -1.134 216 2HB ALA 29 HB1 ALA 29 19.768 5.419 -2.615 217 3HB ALA 29 HB2 ALA 29 21.218 6.075 -1.857 218 H LYS 30 HN LYS 30 23.582 5.486 -3.736 219 HA LYS 30 HA LYS 30 22.600 6.868 -5.919 220 1HB LYS 30 HB2 LYS 30 25.240 6.162 -4.893 221 2HB LYS 30 HB1 LYS 30 25.216 6.328 -6.643 222 1HG LYS 30 HG2 LYS 30 25.777 8.448 -5.828 223 2HG LYS 30 HG1 LYS 30 24.074 8.563 -6.273 224 1HD LYS 30 HD2 LYS 30 24.547 7.724 -3.502 225 2HD LYS 30 HD1 LYS 30 25.129 9.347 -3.880 226 1HE LYS 30 HE2 LYS 30 23.046 10.081 -3.629 227 2HE LYS 30 HE1 LYS 30 22.604 9.166 -5.069 228 1HZ LYS 30 HZ3 LYS 30 22.694 7.794 -2.469 229 2HZ LYS 30 HZ2 LYS 30 21.365 8.771 -2.839 230 3HZ LYS 30 HZ1 LYS 30 21.746 7.458 -3.830 231 H THR 31 HN THR 31 24.087 3.636 -5.913 232 HA THR 31 HA THR 31 24.142 3.092 -8.611 233 HB THR 31 HB THR 31 23.860 0.705 -8.008 234 HG1 THR 31 HG1 THR 31 22.508 0.490 -6.389 235 1HG2 THR 31 1HG2 THR 31 26.050 1.862 -7.620 236 2HG2 THR 31 3HG2 THR 31 25.580 2.018 -5.928 237 3HG2 THR 31 2HG2 THR 31 25.765 0.418 -6.648 238 H ALA 32 HN ALA 32 21.435 3.025 -6.371 239 HA ALA 32 HA ALA 32 19.517 1.880 -8.094 240 1HB ALA 32 HB3 ALA 32 17.928 2.450 -6.506 241 2HB ALA 32 HB2 ALA 32 19.403 2.350 -5.544 242 3HB ALA 32 HB1 ALA 32 18.775 3.923 -6.037 243 H ALA 33 HN ALA 33 20.444 5.266 -7.480 244 HA ALA 33 HA ALA 33 18.554 6.591 -8.990 245 1HB ALA 33 HB3 ALA 33 21.449 7.401 -8.979 246 2HB ALA 33 HB1 ALA 33 20.401 7.602 -7.575 247 3HB ALA 33 HB2 ALA 33 20.025 8.436 -9.083 248 H GLN 34 HN GLN 34 21.707 5.436 -10.172 249 HA GLN 34 HA GLN 34 21.191 6.067 -12.880 250 1HB GLN 34 HB2 GLN 34 23.089 4.047 -11.664 251 2HB GLN 34 HB1 GLN 34 23.081 4.499 -13.362 252 1HG GLN 34 HG2 GLN 34 24.701 5.903 -12.675 253 2HG GLN 34 HG1 GLN 34 23.321 6.930 -12.290 254 1HE2 GLN 34 1HE2 GLN 34 23.414 7.824 -10.357 255 2HE2 GLN 34 2HE2 GLN 34 24.190 7.162 -8.962 256 H ASN 35 HN ASN 35 20.614 3.231 -10.888 257 HA ASN 35 HA ASN 35 19.864 1.447 -12.935 258 1HB ASN 35 HB2 ASN 35 20.385 0.699 -10.647 259 2HB ASN 35 HB1 ASN 35 18.940 1.509 -10.053 260 1HD2 ASN 35 1HD2 ASN 35 19.740 -0.728 -12.713 261 2HD2 ASN 35 2HD2 ASN 35 18.445 -1.826 -12.392 262 H LEU 36 HN LEU 36 18.162 4.046 -11.407 263 HA LEU 36 HA LEU 36 15.508 3.372 -11.956 264 1HB LEU 36 HB2 LEU 36 16.586 5.443 -10.702 265 2HB LEU 36 HB1 LEU 36 16.443 6.196 -12.277 266 HG LEU 36 HG LEU 36 13.954 5.413 -12.134 267 1HD1 LEU 36 3HD1 LEU 36 14.217 4.049 -10.132 268 2HD1 LEU 36 2HD1 LEU 36 14.737 5.469 -9.223 269 3HD1 LEU 36 1HD1 LEU 36 13.090 5.376 -9.849 270 1HD2 LEU 36 2HD2 LEU 36 15.139 7.709 -10.586 271 2HD2 LEU 36 1HD2 LEU 36 14.521 7.721 -12.237 272 3HD2 LEU 36 3HD2 LEU 36 13.410 7.518 -10.883 273 H TYR 37 HN TYR 37 17.965 5.064 -13.810 274 HA TYR 37 HA TYR 37 16.436 5.454 -16.173 275 1HB TYR 37 HB2 TYR 37 19.437 5.240 -15.808 276 2HB TYR 37 HB1 TYR 37 18.640 5.795 -17.276 277 HD1 TYR 37 HD1 TYR 37 17.370 7.942 -17.246 278 HD2 TYR 37 HD2 TYR 37 19.749 6.689 -13.949 279 HE1 TYR 37 HE1 TYR 37 17.357 10.240 -16.371 280 HE2 TYR 37 HE2 TYR 37 19.742 8.982 -13.064 281 HH TYR 37 HH TYR 37 19.279 11.525 -14.546 282 H GLU 38 HN GLU 38 18.462 2.865 -14.946 283 HA GLU 38 HA GLU 38 18.594 1.245 -17.236 284 1HB GLU 38 HB2 GLU 38 19.716 1.031 -14.839 285 2HB GLU 38 HB1 GLU 38 18.344 -0.027 -14.547 286 1HG GLU 38 HG2 GLU 38 20.386 -0.341 -16.737 287 2HG GLU 38 HG1 GLU 38 20.300 -1.283 -15.250 288 H LYS 39 HN LYS 39 16.288 1.300 -14.571 289 HA LYS 39 HA LYS 39 14.635 -0.780 -15.376 290 1HB LYS 39 HB2 LYS 39 14.494 1.437 -13.477 291 2HB LYS 39 HB1 LYS 39 12.921 0.945 -14.091 292 1HG LYS 39 HG2 LYS 39 13.453 -0.231 -12.041 293 2HG LYS 39 HG1 LYS 39 13.366 -1.355 -13.398 294 1HD LYS 39 HD2 LYS 39 16.042 -0.482 -13.248 295 2HD LYS 39 HD1 LYS 39 15.541 -0.848 -11.597 296 1HE LYS 39 HE2 LYS 39 16.456 -2.840 -12.543 297 2HE LYS 39 HE1 LYS 39 14.711 -3.055 -12.416 298 1HZ LYS 39 HZ2 LYS 39 16.057 -2.184 -14.912 299 2HZ LYS 39 HZ1 LYS 39 15.735 -3.804 -14.554 300 3HZ LYS 39 HZ3 LYS 39 14.458 -2.708 -14.729 301 H THR 40 HN THR 40 15.004 2.298 -16.865 302 HA THR 40 HA THR 40 12.337 2.515 -17.886 303 HB THR 40 HB THR 40 13.131 4.231 -19.331 304 HG1 THR 40 HG1 THR 40 15.756 3.261 -18.870 305 1HG2 THR 40 1HG2 THR 40 14.750 4.295 -16.802 306 2HG2 THR 40 3HG2 THR 40 14.611 5.644 -17.928 307 3HG2 THR 40 2HG2 THR 40 13.179 5.037 -17.097 308 H TYR 41 HN TYR 41 15.323 1.064 -18.975 309 HA TYR 41 HA TYR 41 14.447 0.247 -21.548 310 1HB TYR 41 HB2 TYR 41 16.577 -1.074 -19.855 311 2HB TYR 41 HB1 TYR 41 16.419 -1.148 -21.607 312 HD1 TYR 41 HD1 TYR 41 16.369 1.289 -22.751 313 HD2 TYR 41 HD2 TYR 41 18.168 0.362 -19.010 314 HE1 TYR 41 HE1 TYR 41 17.814 3.267 -22.962 315 HE2 TYR 41 HE2 TYR 41 19.618 2.337 -19.210 316 HH TYR 41 HH TYR 41 20.441 3.779 -21.632 317 H LEU 42 HN LEU 42 14.641 -1.527 -18.454 318 HA LEU 42 HA LEU 42 13.507 -3.315 -17.634 319 1HB LEU 42 HB2 LEU 42 11.670 -2.876 -19.989 320 2HB LEU 42 HB1 LEU 42 11.344 -3.945 -18.641 321 HG LEU 42 HG LEU 42 11.802 -1.004 -18.230 322 1HD1 LEU 42 2HD1 LEU 42 9.990 -1.223 -19.841 323 2HD1 LEU 42 1HD1 LEU 42 9.177 -2.377 -18.784 324 3HD1 LEU 42 3HD1 LEU 42 9.379 -0.702 -18.271 325 1HD2 LEU 42 1HD2 LEU 42 10.407 -3.150 -16.634 326 2HD2 LEU 42 3HD2 LEU 42 11.942 -2.375 -16.246 327 3HD2 LEU 42 2HD2 LEU 42 10.448 -1.440 -16.207 328 HA PRO 43 HA PRO 43 15.314 -6.207 -20.747 329 1HB PRO 43 HB2 PRO 43 17.814 -6.463 -19.640 330 2HB PRO 43 HB1 PRO 43 17.385 -5.269 -20.863 331 1HG PRO 43 HG2 PRO 43 18.090 -4.824 -18.106 332 2HG PRO 43 HG1 PRO 43 17.735 -3.624 -19.357 333 1HD PRO 43 HD2 PRO 43 15.988 -4.698 -17.231 334 2HD PRO 43 HD1 PRO 43 15.862 -3.175 -18.136 335 H ALA 44 HN ALA 44 17.002 -6.720 -17.670 336 HA ALA 44 HA ALA 44 16.494 -9.488 -17.599 337 1HB ALA 44 HB1 ALA 44 17.564 -7.586 -15.535 338 2HB ALA 44 HB3 ALA 44 17.447 -9.327 -15.276 339 3HB ALA 44 HB2 ALA 44 18.461 -8.696 -16.573 340 H VAL 45 HN VAL 45 14.514 -6.901 -16.584 341 HA VAL 45 HA VAL 45 13.212 -7.537 -14.349 342 HB VAL 45 HB VAL 45 11.053 -6.763 -15.440 343 1HG1 VAL 45 3HG1 VAL 45 12.764 -5.320 -14.290 344 2HG1 VAL 45 2HG1 VAL 45 13.405 -4.940 -15.888 345 3HG1 VAL 45 1HG1 VAL 45 11.749 -4.497 -15.474 346 1HG2 VAL 45 1HG2 VAL 45 12.870 -6.768 -17.821 347 2HG2 VAL 45 3HG2 VAL 45 11.198 -7.315 -17.688 348 3HG2 VAL 45 2HG2 VAL 45 11.564 -5.590 -17.695 349 H ASP 46 HN ASP 46 12.383 -9.066 -17.473 350 HA ASP 46 HA ASP 46 10.405 -10.767 -16.374 351 1HB ASP 46 HB2 ASP 46 10.768 -10.108 -18.835 352 2HB ASP 46 HB1 ASP 46 11.976 -11.389 -18.868 353 H GLU 47 HN GLU 47 13.882 -11.086 -16.802 354 HA GLU 47 HA GLU 47 14.018 -13.891 -16.316 355 1HB GLU 47 HB2 GLU 47 15.856 -12.710 -17.397 356 2HB GLU 47 HB1 GLU 47 16.111 -11.734 -15.959 357 1HG GLU 47 HG2 GLU 47 16.229 -14.553 -15.347 358 2HG GLU 47 HG1 GLU 47 17.370 -14.118 -16.618 359 H LYS 48 HN LYS 48 14.342 -11.048 -14.216 360 HA LYS 48 HA LYS 48 15.020 -12.361 -11.840 361 1HB LYS 48 HB2 LYS 48 13.517 -9.784 -12.307 362 2HB LYS 48 HB1 LYS 48 14.034 -10.329 -10.717 363 1HG LYS 48 HG2 LYS 48 16.274 -10.002 -11.188 364 2HG LYS 48 HG1 LYS 48 16.021 -10.062 -12.934 365 1HD LYS 48 HD2 LYS 48 14.471 -7.917 -12.067 366 2HD LYS 48 HD1 LYS 48 15.963 -7.796 -11.133 367 1HE LYS 48 HE2 LYS 48 17.277 -7.541 -13.021 368 2HE LYS 48 HE1 LYS 48 16.081 -8.288 -14.076 369 1HZ LYS 48 HZ3 LYS 48 14.666 -6.269 -13.590 370 2HZ LYS 48 HZ2 LYS 48 16.053 -5.559 -12.933 371 3HZ LYS 48 HZ1 LYS 48 16.027 -6.012 -14.562 372 H LEU 49 HN LEU 49 11.980 -12.191 -13.500 373 HA LEU 49 HA LEU 49 10.232 -12.616 -11.328 374 1HB LEU 49 HB2 LEU 49 9.941 -13.454 -14.220 375 2HB LEU 49 HB1 LEU 49 8.650 -13.476 -13.034 376 HG LEU 49 HG LEU 49 10.105 -10.961 -13.842 377 1HD1 LEU 49 1HD1 LEU 49 8.910 -12.072 -15.745 378 2HD1 LEU 49 3HD1 LEU 49 7.416 -11.884 -14.829 379 3HD1 LEU 49 2HD1 LEU 49 8.325 -10.461 -15.335 380 1HD2 LEU 49 2HD2 LEU 49 7.538 -11.470 -12.343 381 2HD2 LEU 49 1HD2 LEU 49 9.033 -10.798 -11.691 382 3HD2 LEU 49 3HD2 LEU 49 8.097 -9.884 -12.874 383 H ARG 50 HN ARG 50 11.305 -14.974 -13.783 384 HA ARG 50 HA ARG 50 10.550 -17.244 -12.281 385 1HB ARG 50 HB2 ARG 50 11.757 -16.711 -14.826 386 2HB ARG 50 HB1 ARG 50 12.700 -17.944 -14.001 387 1HG ARG 50 HG2 ARG 50 11.179 -19.241 -15.101 388 2HG ARG 50 HG1 ARG 50 10.351 -19.014 -13.559 389 1HD ARG 50 HD2 ARG 50 9.877 -17.434 -16.086 390 2HD ARG 50 HD1 ARG 50 8.823 -18.686 -15.434 391 HE ARG 50 HE ARG 50 8.999 -15.956 -14.583 392 1HH1 ARG 50 1HH1 ARG 50 8.172 -19.196 -13.541 393 2HH1 ARG 50 2HH1 ARG 50 7.117 -18.653 -12.282 394 1HH2 ARG 50 1HH2 ARG 50 7.608 -15.249 -12.921 395 2HH2 ARG 50 2HH2 ARG 50 6.795 -16.413 -11.932 396 H ASP 51 HN ASP 51 13.507 -15.350 -12.477 397 HA ASP 51 HA ASP 51 15.289 -17.061 -11.185 398 1HB ASP 51 HB2 ASP 51 15.135 -14.173 -11.723 399 2HB ASP 51 HB1 ASP 51 16.102 -14.596 -10.316 400 H LEU 52 HN LEU 52 13.410 -14.410 -9.709 401 HA LEU 52 HA LEU 52 14.058 -15.126 -7.043 402 1HB LEU 52 HB2 LEU 52 11.852 -13.406 -8.170 403 2HB LEU 52 HB1 LEU 52 12.169 -13.578 -6.454 404 HG LEU 52 HG LEU 52 14.318 -12.629 -8.325 405 1HD1 LEU 52 2HD1 LEU 52 12.360 -11.193 -8.678 406 2HD1 LEU 52 1HD1 LEU 52 12.277 -10.895 -6.942 407 3HD1 LEU 52 3HD1 LEU 52 13.671 -10.338 -7.867 408 1HD2 LEU 52 3HD2 LEU 52 13.792 -12.217 -5.384 409 2HD2 LEU 52 2HD2 LEU 52 14.991 -13.303 -6.086 410 3HD2 LEU 52 1HD2 LEU 52 15.156 -11.559 -6.286 411 H TYR 53 HN TYR 53 11.686 -16.319 -9.263 412 HA TYR 53 HA TYR 53 9.776 -17.257 -7.389 413 1HB TYR 53 HB2 TYR 53 10.187 -17.397 -10.242 414 2HB TYR 53 HB1 TYR 53 9.723 -18.977 -9.622 415 HD1 TYR 53 HD1 TYR 53 8.713 -15.395 -9.218 416 HD2 TYR 53 HD2 TYR 53 7.470 -19.451 -9.551 417 HE1 TYR 53 HE1 TYR 53 6.364 -14.674 -9.156 418 HE2 TYR 53 HE2 TYR 53 5.118 -18.740 -9.491 419 HH TYR 53 HH TYR 53 3.972 -16.256 -8.376 420 H SER 54 HN SER 54 12.478 -18.882 -9.056 421 HA SER 54 HA SER 54 12.152 -21.401 -7.852 422 1HB SER 54 HB2 SER 54 14.708 -20.117 -8.855 423 2HB SER 54 HB1 SER 54 14.467 -21.839 -8.556 424 HG SER 54 HG SER 54 13.591 -20.257 -10.656 425 H LYS 55 HN LYS 55 14.194 -18.636 -6.942 426 HA LYS 55 HA LYS 55 15.399 -19.802 -4.688 427 1HB LYS 55 HB2 LYS 55 14.831 -16.904 -5.328 428 2HB LYS 55 HB1 LYS 55 15.833 -17.437 -3.985 429 1HG LYS 55 HG2 LYS 55 17.511 -18.231 -5.391 430 2HG LYS 55 HG1 LYS 55 16.441 -18.279 -6.794 431 1HD LYS 55 HD2 LYS 55 16.310 -15.785 -6.681 432 2HD LYS 55 HD1 LYS 55 17.542 -15.832 -5.418 433 1HE LYS 55 HE2 LYS 55 18.996 -15.643 -7.115 434 2HE LYS 55 HE1 LYS 55 18.690 -17.362 -7.357 435 1HZ LYS 55 HZ3 LYS 55 17.198 -15.182 -8.715 436 2HZ LYS 55 HZ2 LYS 55 18.485 -16.036 -9.404 437 3HZ LYS 55 HZ1 LYS 55 17.052 -16.842 -9.010 438 H SER 56 HN SER 56 12.497 -17.756 -4.961 439 HA SER 56 HA SER 56 11.920 -17.619 -2.218 440 1HB SER 56 HB2 SER 56 9.712 -16.838 -2.872 441 2HB SER 56 HB1 SER 56 10.936 -16.111 -3.911 442 HG SER 56 HG SER 56 8.938 -17.933 -4.519 443 H THR 57 HN THR 57 10.773 -19.973 -4.660 444 HA THR 57 HA THR 57 8.898 -21.264 -3.052 445 HB THR 57 HB THR 57 9.384 -23.284 -4.548 446 HG1 THR 57 HG1 THR 57 11.393 -22.994 -5.281 447 1HG2 THR 57 2HG2 THR 57 8.628 -20.620 -5.694 448 2HG2 THR 57 1HG2 THR 57 8.597 -22.108 -6.641 449 3HG2 THR 57 3HG2 THR 57 7.577 -21.952 -5.211 450 H ALA 58 HN ALA 58 12.393 -21.640 -3.173 451 HA ALA 58 HA ALA 58 12.324 -23.946 -1.404 452 1HB ALA 58 HB2 ALA 58 14.772 -23.899 -1.604 453 2HB ALA 58 HB1 ALA 58 13.978 -23.915 -3.179 454 3HB ALA 58 HB3 ALA 58 14.657 -22.414 -2.548 455 H ALA 59 HN ALA 59 13.616 -20.622 -1.300 456 HA ALA 59 HA ALA 59 14.473 -20.688 1.379 457 1HB ALA 59 HB1 ALA 59 14.555 -18.243 1.225 458 2HB ALA 59 HB2 ALA 59 13.657 -18.313 -0.290 459 3HB ALA 59 HB3 ALA 59 15.271 -19.016 -0.189 460 H MET 60 HN MET 60 11.529 -19.198 0.011 461 HA MET 60 HA MET 60 10.392 -18.458 2.463 462 1HB MET 60 HB2 MET 60 9.789 -17.820 -0.016 463 2HB MET 60 HB1 MET 60 8.647 -19.148 0.139 464 1HG MET 60 HG2 MET 60 7.584 -17.036 0.642 465 2HG MET 60 HG1 MET 60 7.639 -18.061 2.075 466 1HE MET 60 HE1 MET 60 7.117 -16.255 3.684 467 2HE MET 60 HE3 MET 60 8.471 -17.139 4.384 468 3HE MET 60 HE2 MET 60 8.436 -15.377 4.462 469 H SER 61 HN SER 61 10.734 -21.615 1.208 470 HA SER 61 HA SER 61 8.325 -22.767 2.160 471 1HB SER 61 HB2 SER 61 9.241 -24.831 1.595 472 2HB SER 61 HB1 SER 61 10.136 -23.742 0.539 473 HG SER 61 HG SER 61 11.013 -25.269 2.650 474 H THR 62 HN THR 62 11.163 -21.689 3.771 475 HA THR 62 HA THR 62 10.507 -23.205 6.196 476 HB THR 62 HB THR 62 12.710 -22.366 7.030 477 HG1 THR 62 HG1 THR 62 13.361 -20.666 5.963 478 1HG2 THR 62 2HG2 THR 62 12.591 -24.554 5.924 479 2HG2 THR 62 1HG2 THR 62 12.936 -23.771 4.382 480 3HG2 THR 62 3HG2 THR 62 14.138 -23.746 5.672 481 H TYR 63 HN TYR 63 11.192 -19.889 5.096 482 HA TYR 63 HA TYR 63 10.556 -18.609 7.510 483 1HB TYR 63 HB2 TYR 63 10.432 -17.470 4.711 484 2HB TYR 63 HB1 TYR 63 10.537 -16.552 6.209 485 HD1 TYR 63 HD1 TYR 63 12.635 -17.315 7.734 486 HD2 TYR 63 HD2 TYR 63 12.377 -17.698 3.505 487 HE1 TYR 63 HE1 TYR 63 15.089 -17.372 7.596 488 HE2 TYR 63 HE2 TYR 63 14.830 -17.755 3.354 489 HH TYR 63 HH TYR 63 16.789 -18.500 5.512 490 H THR 64 HN THR 64 8.549 -20.071 5.127 491 HA THR 64 HA THR 64 6.275 -18.393 5.490 492 HB THR 64 HB THR 64 6.733 -21.081 4.266 493 HG1 THR 64 HG1 THR 64 5.536 -18.665 3.384 494 1HG2 THR 64 2HG2 THR 64 4.031 -20.021 5.024 495 2HG2 THR 64 1HG2 THR 64 4.275 -21.129 3.673 496 3HG2 THR 64 3HG2 THR 64 4.704 -21.626 5.309 497 H GLY 65 HN GLY 65 6.993 -21.665 6.695 498 1HA GLY 65 HA1 GLY 65 6.265 -22.755 8.588 499 2HA GLY 65 HA2 GLY 65 4.861 -21.691 8.569 500 H ILE 66 HN ILE 66 8.236 -20.691 8.719 501 HA ILE 66 HA ILE 66 8.408 -20.306 11.515 502 HB ILE 66 HB ILE 66 9.966 -19.092 9.233 503 1HG1 ILE 66 2HG1 ILE 66 10.949 -20.991 11.354 504 2HG1 ILE 66 1HG1 ILE 66 10.139 -21.578 9.905 505 1HG2 ILE 66 2HG2 ILE 66 10.241 -18.632 12.188 506 2HG2 ILE 66 1HG2 ILE 66 11.601 -18.438 11.084 507 3HG2 ILE 66 3HG2 ILE 66 10.159 -17.442 10.889 508 1HD1 ILE 66 2HD1 ILE 66 11.941 -20.073 8.710 509 2HD1 ILE 66 1HD1 ILE 66 12.815 -20.340 10.218 510 3HD1 ILE 66 3HD1 ILE 66 12.307 -21.716 9.239 511 H PHE 67 HN PHE 67 7.972 -17.924 8.892 512 HA PHE 67 HA PHE 67 7.551 -15.658 10.419 513 1HB PHE 67 HB2 PHE 67 7.772 -15.550 7.997 514 2HB PHE 67 HB1 PHE 67 6.238 -16.389 7.791 515 HD1 PHE 67 HD1 PHE 67 4.188 -15.223 7.856 516 HD2 PHE 67 HD2 PHE 67 7.796 -13.248 8.950 517 HE1 PHE 67 HE1 PHE 67 3.009 -13.064 7.835 518 HE2 PHE 67 HE2 PHE 67 6.622 -11.086 8.931 519 HZ PHE 67 HZ PHE 67 4.226 -10.993 8.374 520 H THR 68 HN THR 68 5.003 -17.789 9.115 521 HA THR 68 HA THR 68 2.890 -16.551 10.503 522 HB THR 68 HB THR 68 1.575 -18.558 9.907 523 HG1 THR 68 HG1 THR 68 2.839 -20.275 9.969 524 1HG2 THR 68 2HG2 THR 68 3.334 -17.598 7.664 525 2HG2 THR 68 1HG2 THR 68 1.815 -18.475 7.482 526 3HG2 THR 68 3HG2 THR 68 1.823 -16.863 8.196 527 H ASP 69 HN ASP 69 5.269 -18.784 11.553 528 HA ASP 69 HA ASP 69 3.910 -20.157 13.574 529 1HB ASP 69 HB2 ASP 69 6.537 -20.039 12.700 530 2HB ASP 69 HB1 ASP 69 6.631 -19.422 14.345 531 H GLN 70 HN GLN 70 5.902 -17.210 13.932 532 HA GLN 70 HA GLN 70 5.041 -16.726 16.600 533 1HB GLN 70 HB2 GLN 70 7.152 -15.868 15.236 534 2HB GLN 70 HB1 GLN 70 6.094 -14.500 14.921 535 1HG GLN 70 HG2 GLN 70 7.219 -13.818 16.804 536 2HG GLN 70 HG1 GLN 70 5.741 -14.496 17.485 537 1HE2 GLN 70 1HE2 GLN 70 5.832 -16.518 18.533 538 2HE2 GLN 70 2HE2 GLN 70 7.326 -17.162 19.117 539 H VAL 71 HN VAL 71 3.745 -15.899 13.495 540 HA VAL 71 HA VAL 71 2.141 -13.688 14.289 541 HB VAL 71 HB VAL 71 1.789 -15.611 11.973 542 1HG1 VAL 71 1HG1 VAL 71 0.355 -13.057 12.661 543 2HG1 VAL 71 3HG1 VAL 71 0.390 -13.721 11.028 544 3HG1 VAL 71 2HG1 VAL 71 -0.336 -14.647 12.341 545 1HG2 VAL 71 2HG2 VAL 71 3.837 -13.944 12.252 546 2HG2 VAL 71 1HG2 VAL 71 3.075 -14.237 10.688 547 3HG2 VAL 71 3HG2 VAL 71 2.660 -12.795 11.617 548 H LEU 72 HN LEU 72 1.422 -17.106 13.685 549 HA LEU 72 HA LEU 72 -1.221 -17.131 14.599 550 1HB LEU 72 HB2 LEU 72 0.106 -18.960 13.355 551 2HB LEU 72 HB1 LEU 72 0.681 -19.439 14.940 552 HG LEU 72 HG LEU 72 -2.249 -19.186 14.690 553 1HD1 LEU 72 2HD1 LEU 72 -1.703 -20.147 12.513 554 2HD1 LEU 72 1HD1 LEU 72 -0.759 -21.409 13.303 555 3HD1 LEU 72 3HD1 LEU 72 -2.502 -21.325 13.554 556 1HD2 LEU 72 3HD2 LEU 72 -0.383 -21.248 15.857 557 2HD2 LEU 72 2HD2 LEU 72 -1.240 -19.980 16.735 558 3HD2 LEU 72 1HD2 LEU 72 -2.142 -21.291 15.976 559 H SER 73 HN SER 73 1.878 -17.384 16.243 560 HA SER 73 HA SER 73 0.975 -18.176 18.773 561 1HB SER 73 HB2 SER 73 3.403 -17.941 17.906 562 2HB SER 73 HB1 SER 73 3.267 -16.256 18.407 563 HG SER 73 HG SER 73 4.113 -17.429 20.106 564 H VAL 74 HN VAL 74 1.187 -14.987 17.297 565 HA VAL 74 HA VAL 74 0.418 -13.558 19.650 566 HB VAL 74 HB VAL 74 0.172 -12.651 16.774 567 1HG1 VAL 74 3HG1 VAL 74 0.132 -11.199 19.407 568 2HG1 VAL 74 2HG1 VAL 74 0.479 -10.382 17.883 569 3HG1 VAL 74 1HG1 VAL 74 -1.076 -11.178 18.122 570 1HG2 VAL 74 2HG2 VAL 74 2.511 -13.173 18.358 571 2HG2 VAL 74 1HG2 VAL 74 2.393 -12.635 16.682 572 3HG2 VAL 74 3HG2 VAL 74 2.400 -11.452 17.990 573 H LEU 75 HN LEU 75 -1.308 -15.450 17.370 574 HA LEU 75 HA LEU 75 -3.807 -14.134 17.411 575 1HB LEU 75 HB2 LEU 75 -2.776 -16.301 16.089 576 2HB LEU 75 HB1 LEU 75 -3.904 -17.057 17.196 577 HG LEU 75 HG LEU 75 -4.979 -16.663 15.067 578 1HD1 LEU 75 3HD1 LEU 75 -6.258 -16.375 17.205 579 2HD1 LEU 75 2HD1 LEU 75 -6.044 -14.634 17.017 580 3HD1 LEU 75 1HD1 LEU 75 -6.941 -15.547 15.804 581 1HD2 LEU 75 3HD2 LEU 75 -3.433 -14.649 14.583 582 2HD2 LEU 75 2HD2 LEU 75 -5.084 -14.626 13.963 583 3HD2 LEU 75 1HD2 LEU 75 -4.672 -13.704 15.409 584 H LYS 76 HN LYS 76 -2.335 -16.558 19.446 585 HA LYS 76 HA LYS 76 -4.639 -17.065 21.051 586 1HB LYS 76 HB2 LYS 76 -2.421 -18.454 20.724 587 2HB LYS 76 HB1 LYS 76 -1.867 -17.494 22.089 588 1HG LYS 76 HG2 LYS 76 -4.183 -18.294 23.105 589 2HG LYS 76 HG1 LYS 76 -3.926 -19.621 21.969 590 1HD LYS 76 HD2 LYS 76 -1.820 -20.158 22.975 591 2HD LYS 76 HD1 LYS 76 -1.872 -18.709 23.980 592 1HE LYS 76 HE2 LYS 76 -3.865 -19.596 25.118 593 2HE LYS 76 HE1 LYS 76 -3.759 -21.058 24.138 594 1HZ LYS 76 HZ1 LYS 76 -1.685 -20.109 26.042 595 2HZ LYS 76 HZ3 LYS 76 -2.777 -21.370 26.326 596 3HZ LYS 76 HZ2 LYS 76 -1.603 -21.522 25.116 597 H GLY 77 HN GLY 77 -1.850 -14.900 21.338 598 1HA GLY 77 HA1 GLY 77 -1.385 -13.194 22.804 599 2HA GLY 77 HA2 GLY 77 -2.411 -14.008 23.974 600 H GLU 78 HN GLU 78 -2.690 -12.105 20.966 601 HA GLU 78 HA GLU 78 -5.299 -11.116 21.762 602 1HB GLU 78 HB2 GLU 78 -3.069 -9.712 22.620 603 2HB GLU 78 HB1 GLU 78 -3.554 -8.849 21.168 604 1HG GLU 78 HG2 GLU 78 -5.224 -9.391 23.611 605 2HG GLU 78 HG1 GLU 78 -4.607 -7.836 23.056 606 H GLU 79 HN GLU 79 -4.485 -12.654 19.524 607 HA GLU 79 HA GLU 79 -4.932 -12.793 17.306 608 1HB GLU 79 HB2 GLU 79 -5.802 -9.907 17.554 609 2HB GLU 79 HB1 GLU 79 -6.026 -10.909 16.129 610 1HG GLU 79 HG2 GLU 79 -8.068 -11.158 17.072 611 2HG GLU 79 HG1 GLU 79 -7.232 -12.491 17.866 No H/Q in entry = 611 Start of MODEL 53 1 H1 THR 1 HT2 THR 1 29.494 0.754 26.760 2 H2 THR 1 HT1 THR 1 28.221 0.222 27.782 3 H3 THR 1 HT3 THR 1 28.928 1.765 28.025 4 HA THR 1 HA THR 1 30.978 0.800 28.644 5 HB THR 1 HB THR 1 30.117 -0.486 30.683 6 HG1 THR 1 HG1 THR 1 28.216 -1.314 29.925 7 1HG2 THR 1 3HG2 THR 1 30.423 1.995 30.635 8 2HG2 THR 1 2HG2 THR 1 28.710 2.128 30.235 9 3HG2 THR 1 1HG2 THR 1 29.205 1.407 31.767 10 H GLN 2 HN GLN 2 32.416 -0.823 28.474 11 HA GLN 2 HA GLN 2 31.827 -3.087 26.865 12 1HB GLN 2 HB2 GLN 2 34.228 -2.271 28.488 13 2HB GLN 2 HB1 GLN 2 34.170 -3.816 27.652 14 1HG GLN 2 HG2 GLN 2 34.146 -2.819 25.550 15 2HG GLN 2 HG1 GLN 2 33.642 -1.258 26.192 16 1HE2 GLN 2 1HE2 GLN 2 35.193 -0.002 27.362 17 2HE2 GLN 2 2HE2 GLN 2 36.881 -0.206 27.062 18 H GLN 3 HN GLN 3 32.516 -2.724 30.343 19 HA GLN 3 HA GLN 3 31.140 -5.278 30.801 20 1HB GLN 3 HB2 GLN 3 33.686 -5.444 30.946 21 2HB GLN 3 HB1 GLN 3 33.569 -4.431 32.378 22 1HG GLN 3 HG2 GLN 3 32.103 -6.117 33.415 23 2HG GLN 3 HG1 GLN 3 32.315 -7.141 31.996 24 1HE2 GLN 3 1HE2 GLN 3 34.185 -5.425 34.479 25 2HE2 GLN 3 2HE2 GLN 3 35.423 -6.623 34.616 26 HA PRO 4 HA PRO 4 29.254 -1.946 33.372 27 1HB PRO 4 HB2 PRO 4 26.698 -2.798 33.075 28 2HB PRO 4 HB1 PRO 4 27.508 -1.776 31.883 29 1HG PRO 4 HG2 PRO 4 27.075 -4.738 31.855 30 2HG PRO 4 HG1 PRO 4 26.895 -3.569 30.535 31 1HD PRO 4 HD2 PRO 4 29.085 -5.147 30.818 32 2HD PRO 4 HD1 PRO 4 29.153 -3.526 30.098 33 H GLN 5 HN GLN 5 30.526 -3.321 34.975 34 HA GLN 5 HA GLN 5 29.190 -5.479 36.292 35 1HB GLN 5 HB2 GLN 5 31.523 -3.778 37.200 36 2HB GLN 5 HB1 GLN 5 30.980 -5.249 37.995 37 1HG GLN 5 HG2 GLN 5 31.913 -5.146 35.138 38 2HG GLN 5 HG1 GLN 5 32.966 -5.507 36.503 39 1HE2 GLN 5 1HE2 GLN 5 30.281 -6.629 34.572 40 2HE2 GLN 5 2HE2 GLN 5 30.349 -8.277 35.083 41 H GLN 6 HN GLN 6 30.097 -2.257 37.553 42 HA GLN 6 HA GLN 6 28.277 -2.386 39.728 43 1HB GLN 6 HB2 GLN 6 30.270 -0.990 39.838 44 2HB GLN 6 HB1 GLN 6 29.700 -0.023 38.485 45 1HG GLN 6 HG2 GLN 6 27.867 -0.177 40.778 46 2HG GLN 6 HG1 GLN 6 29.397 0.644 41.082 47 1HE2 GLN 6 1HE2 GLN 6 26.284 0.958 39.873 48 2HE2 GLN 6 2HE2 GLN 6 26.465 2.486 39.086 49 H ASP 7 HN ASP 7 28.247 -0.305 36.822 50 HA ASP 7 HA ASP 7 25.554 0.536 37.225 51 1HB ASP 7 HB2 ASP 7 27.291 0.709 34.752 52 2HB ASP 7 HB1 ASP 7 25.770 1.563 34.990 53 H GLU 8 HN GLU 8 23.826 0.229 35.576 54 HA GLU 8 HA GLU 8 23.305 -2.545 35.208 55 1HB GLU 8 HB2 GLU 8 21.691 -0.456 35.503 56 2HB GLU 8 HB1 GLU 8 21.721 -0.482 33.746 57 1HG GLU 8 HG2 GLU 8 21.155 -3.006 35.222 58 2HG GLU 8 HG1 GLU 8 19.893 -1.784 35.085 59 H MET 9 HN MET 9 23.145 -3.751 33.315 60 HA MET 9 HA MET 9 25.042 -3.148 31.291 61 1HB MET 9 HB2 MET 9 24.340 -5.455 32.075 62 2HB MET 9 HB1 MET 9 22.871 -5.240 31.135 63 1HG MET 9 HG2 MET 9 24.384 -4.832 29.141 64 2HG MET 9 HG1 MET 9 25.698 -5.432 30.150 65 1HE MET 9 HE2 MET 9 26.261 -7.819 30.510 66 2HE MET 9 HE1 MET 9 24.956 -7.851 31.696 67 3HE MET 9 HE3 MET 9 25.098 -9.145 30.507 68 HA PRO 10 HA PRO 10 22.490 -0.476 28.774 69 1HB PRO 10 HB2 PRO 10 24.460 -1.208 26.681 70 2HB PRO 10 HB1 PRO 10 23.978 0.387 27.266 71 1HG PRO 10 HG2 PRO 10 26.345 -0.654 27.917 72 2HG PRO 10 HG1 PRO 10 25.411 0.300 29.084 73 1HD PRO 10 HD2 PRO 10 25.751 -2.666 28.899 74 2HD PRO 10 HD1 PRO 10 25.693 -1.624 30.336 75 H SER 11 HN SER 11 20.710 -0.941 27.647 76 HA SER 11 HA SER 11 20.202 -3.587 26.701 77 1HB SER 11 HB2 SER 11 18.466 -2.040 27.671 78 2HB SER 11 HB1 SER 11 18.550 -1.106 26.178 79 HG SER 11 HG SER 11 17.542 -3.685 26.618 80 HA PRO 12 HA PRO 12 21.785 -3.323 22.572 81 1HB PRO 12 HB2 PRO 12 19.976 -5.013 21.345 82 2HB PRO 12 HB1 PRO 12 21.402 -5.545 22.240 83 1HG PRO 12 HG2 PRO 12 18.555 -5.374 23.135 84 2HG PRO 12 HG1 PRO 12 19.760 -6.633 23.463 85 1HD PRO 12 HD2 PRO 12 19.128 -4.787 25.300 86 2HD PRO 12 HD1 PRO 12 20.790 -5.388 25.126 87 H THR 13 HN THR 13 21.501 -1.860 21.009 88 HA THR 13 HA THR 13 19.130 -0.284 20.887 89 HB THR 13 HB THR 13 21.356 0.670 20.459 90 HG1 THR 13 HG1 THR 13 20.570 2.052 19.059 91 1HG2 THR 13 1HG2 THR 13 22.287 -1.273 19.189 92 2HG2 THR 13 3HG2 THR 13 21.331 -0.740 17.807 93 3HG2 THR 13 2HG2 THR 13 22.585 0.309 18.468 94 H PHE 14 HN PHE 14 17.418 -0.395 19.577 95 HA PHE 14 HA PHE 14 17.509 -2.226 17.277 96 1HB PHE 14 HB2 PHE 14 15.276 -2.013 19.311 97 2HB PHE 14 HB1 PHE 14 15.175 -2.921 17.807 98 HD1 PHE 14 HD1 PHE 14 17.357 -4.543 17.510 99 HD2 PHE 14 HD2 PHE 14 15.625 -3.271 21.183 100 HE1 PHE 14 HE1 PHE 14 18.310 -6.511 18.637 101 HE2 PHE 14 HE2 PHE 14 16.575 -5.236 22.317 102 HZ PHE 14 HZ PHE 14 17.920 -6.859 21.044 103 H LEU 15 HN LEU 15 15.063 -0.065 18.739 104 HA LEU 15 HA LEU 15 14.113 0.899 16.267 105 1HB LEU 15 HB2 LEU 15 13.302 1.089 18.886 106 2HB LEU 15 HB1 LEU 15 13.810 2.730 18.541 107 HG LEU 15 HG LEU 15 11.427 2.477 18.152 108 1HD1 LEU 15 3HD1 LEU 15 12.808 3.981 16.705 109 2HD1 LEU 15 2HD1 LEU 15 12.818 2.701 15.492 110 3HD1 LEU 15 1HD1 LEU 15 11.293 3.441 15.982 111 1HD2 LEU 15 3HD2 LEU 15 11.544 0.033 17.619 112 2HD2 LEU 15 2HD2 LEU 15 10.506 0.975 16.549 113 3HD2 LEU 15 1HD2 LEU 15 12.109 0.475 16.008 114 H THR 16 HN THR 16 16.292 2.380 18.664 115 HA THR 16 HA THR 16 16.811 4.763 17.302 116 HB THR 16 HB THR 16 18.767 3.268 19.058 117 HG1 THR 16 HG1 THR 16 16.621 4.978 19.773 118 1HG2 THR 16 3HG2 THR 16 18.430 6.199 18.482 119 2HG2 THR 16 2HG2 THR 16 19.450 5.539 19.761 120 3HG2 THR 16 1HG2 THR 16 19.810 5.179 18.071 121 H GLN 17 HN GLN 17 18.280 1.569 16.992 122 HA GLN 17 HA GLN 17 20.472 2.277 15.383 123 1HB GLN 17 HB2 GLN 17 19.824 0.015 16.563 124 2HB GLN 17 HB1 GLN 17 19.077 -0.345 15.014 125 1HG GLN 17 HG2 GLN 17 21.439 0.419 14.106 126 2HG GLN 17 HG1 GLN 17 21.941 -0.065 15.725 127 1HE2 GLN 17 1HE2 GLN 17 20.890 -1.115 12.625 128 2HE2 GLN 17 2HE2 GLN 17 21.026 -2.813 12.912 129 H VAL 18 HN VAL 18 17.220 1.140 14.495 130 HA VAL 18 HA VAL 18 17.142 0.819 11.876 131 HB VAL 18 HB VAL 18 15.235 2.656 13.332 132 1HG1 VAL 18 1HG1 VAL 18 15.069 1.311 10.649 133 2HG1 VAL 18 3HG1 VAL 18 13.633 1.826 11.535 134 3HG1 VAL 18 2HG1 VAL 18 14.838 3.016 11.042 135 1HG2 VAL 18 1HG2 VAL 18 15.505 -0.298 13.125 136 2HG2 VAL 18 3HG2 VAL 18 14.992 0.699 14.485 137 3HG2 VAL 18 2HG2 VAL 18 13.881 0.389 13.151 138 H LYS 19 HN LYS 19 17.139 4.121 13.250 139 HA LYS 19 HA LYS 19 17.082 5.573 10.911 140 1HB LYS 19 HB2 LYS 19 18.398 6.160 13.555 141 2HB LYS 19 HB1 LYS 19 18.389 7.328 12.241 142 1HG LYS 19 HG2 LYS 19 15.834 6.116 13.218 143 2HG LYS 19 HG1 LYS 19 16.576 7.475 14.065 144 1HD LYS 19 HD2 LYS 19 16.364 8.890 12.194 145 2HD LYS 19 HD1 LYS 19 16.040 7.537 11.106 146 1HE LYS 19 HE2 LYS 19 13.914 7.138 12.306 147 2HE LYS 19 HE1 LYS 19 14.234 8.562 13.294 148 1HZ LYS 19 HZ3 LYS 19 13.901 8.548 10.341 149 2HZ LYS 19 HZ2 LYS 19 12.744 9.066 11.461 150 3HZ LYS 19 HZ1 LYS 19 14.196 9.916 11.293 151 H GLU 20 HN GLU 20 20.012 4.531 12.655 152 HA GLU 20 HA GLU 20 21.831 5.503 10.733 153 1HB GLU 20 HB2 GLU 20 22.783 5.088 12.822 154 2HB GLU 20 HB1 GLU 20 21.997 3.525 12.978 155 1HG GLU 20 HG2 GLU 20 24.045 3.910 10.848 156 2HG GLU 20 HG1 GLU 20 24.564 3.708 12.520 157 H SER 21 HN SER 21 20.028 2.539 11.012 158 HA SER 21 HA SER 21 21.456 0.964 9.160 159 1HB SER 21 HB2 SER 21 18.482 0.791 9.674 160 2HB SER 21 HB1 SER 21 19.561 -0.499 9.145 161 HG SER 21 HG SER 21 18.925 -0.329 11.491 162 H LEU 22 HN LEU 22 18.784 3.249 8.773 163 HA LEU 22 HA LEU 22 18.397 2.759 5.994 164 1HB LEU 22 HB2 LEU 22 17.095 4.219 7.996 165 2HB LEU 22 HB1 LEU 22 17.617 5.420 6.832 166 HG LEU 22 HG LEU 22 15.353 4.700 6.343 167 1HD1 LEU 22 1HD1 LEU 22 16.948 5.249 4.492 168 2HD1 LEU 22 3HD1 LEU 22 17.192 3.516 4.275 169 3HD1 LEU 22 2HD1 LEU 22 15.594 4.221 4.028 170 1HD2 LEU 22 3HD2 LEU 22 15.584 2.439 7.369 171 2HD2 LEU 22 2HD2 LEU 22 14.781 2.442 5.799 172 3HD2 LEU 22 1HD2 LEU 22 16.464 1.929 5.928 173 H SER 23 HN SER 23 20.351 5.046 7.850 174 HA SER 23 HA SER 23 21.104 6.752 5.763 175 1HB SER 23 HB2 SER 23 21.524 7.079 8.255 176 2HB SER 23 HB1 SER 23 22.899 5.991 8.072 177 HG SER 23 HG SER 23 23.975 7.509 7.058 178 H SER 24 HN SER 24 22.814 3.906 7.061 179 HA SER 24 HA SER 24 24.862 3.895 5.113 180 1HB SER 24 HB2 SER 24 25.133 1.464 5.847 181 2HB SER 24 HB1 SER 24 25.274 2.679 7.116 182 HG SER 24 HG SER 24 23.168 0.885 6.598 183 H TYR 25 HN TYR 25 21.560 2.960 4.968 184 HA TYR 25 HA TYR 25 21.850 1.063 2.821 185 1HB TYR 25 HB2 TYR 25 19.961 1.053 4.503 186 2HB TYR 25 HB1 TYR 25 19.328 2.483 3.696 187 HD1 TYR 25 HD1 TYR 25 18.290 2.323 1.513 188 HD2 TYR 25 HD2 TYR 25 19.892 -1.130 3.413 189 HE1 TYR 25 HE1 TYR 25 17.100 0.893 -0.094 190 HE2 TYR 25 HE2 TYR 25 18.706 -2.569 1.811 191 HH TYR 25 HH TYR 25 17.731 -1.899 -0.895 192 H TRP 26 HN TRP 26 20.889 4.464 3.138 193 HA TRP 26 HA TRP 26 20.202 4.889 0.438 194 1HB TRP 26 HB2 TRP 26 19.636 6.402 2.374 195 2HB TRP 26 HB1 TRP 26 21.307 6.960 2.344 196 HD1 TRP 26 HD1 TRP 26 17.990 7.365 0.566 197 HE1 TRP 26 HE1 TRP 26 18.197 9.220 -1.205 198 HE3 TRP 26 HE3 TRP 26 23.055 8.057 0.699 199 HZ2 TRP 26 HZ2 TRP 26 20.237 10.773 -2.390 200 HZ3 TRP 26 HZ3 TRP 26 24.054 9.745 -0.785 201 HH2 TRP 26 HH2 TRP 26 22.673 11.074 -2.297 202 H GLU 27 HN GLU 27 23.257 5.056 2.158 203 HA GLU 27 HA GLU 27 24.952 6.395 0.531 204 1HB GLU 27 HB2 GLU 27 25.667 5.299 2.600 205 2HB GLU 27 HB1 GLU 27 25.495 3.723 1.843 206 1HG GLU 27 HG2 GLU 27 27.289 5.665 0.514 207 2HG GLU 27 HG1 GLU 27 27.826 4.988 2.051 208 H SER 28 HN SER 28 24.311 2.909 0.194 209 HA SER 28 HA SER 28 25.391 2.903 -2.496 210 1HB SER 28 HB2 SER 28 24.230 0.714 -0.760 211 2HB SER 28 HB1 SER 28 24.827 0.450 -2.399 212 HG SER 28 HG SER 28 26.231 1.011 -0.054 213 H ALA 29 HN ALA 29 22.329 3.362 -1.024 214 HA ALA 29 HA ALA 29 20.608 2.211 -2.926 215 1HB ALA 29 HB1 ALA 29 19.913 3.084 -0.702 216 2HB ALA 29 HB3 ALA 29 20.068 4.718 -1.346 217 3HB ALA 29 HB2 ALA 29 18.883 3.609 -2.033 218 H LYS 30 HN LYS 30 22.375 5.254 -2.960 219 HA LYS 30 HA LYS 30 21.014 6.638 -4.930 220 1HB LYS 30 HB2 LYS 30 23.017 7.399 -3.536 221 2HB LYS 30 HB1 LYS 30 24.021 6.607 -4.741 222 1HG LYS 30 HG2 LYS 30 21.993 8.596 -5.637 223 2HG LYS 30 HG1 LYS 30 23.489 9.164 -4.894 224 1HD LYS 30 HD2 LYS 30 23.364 7.277 -7.247 225 2HD LYS 30 HD1 LYS 30 23.580 9.023 -7.381 226 1HE LYS 30 HE2 LYS 30 25.771 8.669 -7.214 227 2HE LYS 30 HE1 LYS 30 25.496 8.222 -5.532 228 1HZ LYS 30 HZ3 LYS 30 25.259 6.257 -7.734 229 2HZ LYS 30 HZ2 LYS 30 26.735 6.572 -6.970 230 3HZ LYS 30 HZ1 LYS 30 25.436 5.960 -6.077 231 H THR 31 HN THR 31 23.707 4.358 -5.407 232 HA THR 31 HA THR 31 23.922 4.409 -8.150 233 HB THR 31 HB THR 31 24.059 1.859 -6.533 234 HG1 THR 31 HG1 THR 31 25.497 2.883 -5.402 235 1HG2 THR 31 1HG2 THR 31 25.594 2.790 -8.947 236 2HG2 THR 31 3HG2 THR 31 25.920 1.315 -8.038 237 3HG2 THR 31 2HG2 THR 31 24.388 1.505 -8.893 238 H ALA 32 HN ALA 32 21.563 2.761 -6.131 239 HA ALA 32 HA ALA 32 20.318 1.228 -8.144 240 1HB ALA 32 HB1 ALA 32 18.728 2.313 -5.865 241 2HB ALA 32 HB3 ALA 32 18.719 0.701 -6.581 242 3HB ALA 32 HB2 ALA 32 20.052 1.194 -5.535 243 H ALA 33 HN ALA 33 19.726 4.529 -6.953 244 HA ALA 33 HA ALA 33 17.398 5.150 -8.289 245 1HB ALA 33 HB1 ALA 33 18.700 6.609 -6.676 246 2HB ALA 33 HB3 ALA 33 19.676 7.096 -8.061 247 3HB ALA 33 HB2 ALA 33 17.944 7.432 -8.039 248 H GLN 34 HN GLN 34 20.689 5.676 -9.551 249 HA GLN 34 HA GLN 34 19.822 6.423 -12.137 250 1HB GLN 34 HB2 GLN 34 22.142 6.749 -11.028 251 2HB GLN 34 HB1 GLN 34 22.479 5.116 -11.584 252 1HG GLN 34 HG2 GLN 34 22.094 5.793 -13.881 253 2HG GLN 34 HG1 GLN 34 21.682 7.423 -13.348 254 1HE2 GLN 34 1HE2 GLN 34 23.331 8.759 -12.505 255 2HE2 GLN 34 2HE2 GLN 34 24.995 8.456 -12.859 256 H ASN 35 HN ASN 35 20.649 3.351 -10.639 257 HA ASN 35 HA ASN 35 20.650 1.763 -12.969 258 1HB ASN 35 HB2 ASN 35 21.445 1.136 -10.602 259 2HB ASN 35 HB1 ASN 35 19.757 0.757 -10.273 260 1HD2 ASN 35 1HD2 ASN 35 18.805 -1.015 -11.271 261 2HD2 ASN 35 2HD2 ASN 35 19.736 -2.233 -12.067 262 H LEU 36 HN LEU 36 18.072 3.080 -11.078 263 HA LEU 36 HA LEU 36 15.950 1.404 -11.784 264 1HB LEU 36 HB2 LEU 36 16.155 3.620 -10.244 265 2HB LEU 36 HB1 LEU 36 15.413 4.322 -11.668 266 HG LEU 36 HG LEU 36 13.726 3.731 -10.019 267 1HD1 LEU 36 2HD1 LEU 36 13.314 3.496 -12.504 268 2HD1 LEU 36 1HD1 LEU 36 13.515 1.759 -12.276 269 3HD1 LEU 36 3HD1 LEU 36 12.219 2.613 -11.440 270 1HD2 LEU 36 3HD2 LEU 36 15.118 1.829 -9.061 271 2HD2 LEU 36 2HD2 LEU 36 13.380 1.557 -9.194 272 3HD2 LEU 36 1HD2 LEU 36 14.477 0.843 -10.376 273 H TYR 37 HN TYR 37 17.330 4.263 -13.286 274 HA TYR 37 HA TYR 37 15.650 4.330 -15.566 275 1HB TYR 37 HB2 TYR 37 17.639 5.958 -14.547 276 2HB TYR 37 HB1 TYR 37 18.387 5.298 -15.998 277 HD1 TYR 37 HD1 TYR 37 17.814 6.128 -18.126 278 HD2 TYR 37 HD2 TYR 37 15.394 7.120 -14.769 279 HE1 TYR 37 HE1 TYR 37 16.588 7.759 -19.498 280 HE2 TYR 37 HE2 TYR 37 14.161 8.753 -16.133 281 HH TYR 37 HH TYR 37 13.834 8.848 -19.044 282 H GLU 38 HN GLU 38 18.687 2.733 -14.797 283 HA GLU 38 HA GLU 38 19.393 1.797 -17.331 284 1HB GLU 38 HB2 GLU 38 20.566 1.661 -14.929 285 2HB GLU 38 HB1 GLU 38 19.930 0.024 -15.010 286 1HG GLU 38 HG2 GLU 38 21.797 1.330 -16.977 287 2HG GLU 38 HG1 GLU 38 22.198 0.070 -15.812 288 H LYS 39 HN LYS 39 17.770 -0.089 -14.785 289 HA LYS 39 HA LYS 39 17.172 -2.295 -16.393 290 1HB LYS 39 HB2 LYS 39 15.552 -2.916 -14.629 291 2HB LYS 39 HB1 LYS 39 17.128 -2.474 -13.990 292 1HG LYS 39 HG2 LYS 39 16.096 -1.089 -12.607 293 2HG LYS 39 HG1 LYS 39 15.662 -0.103 -14.002 294 1HD LYS 39 HD2 LYS 39 13.928 -2.428 -13.606 295 2HD LYS 39 HD1 LYS 39 13.891 -1.273 -12.273 296 1HE LYS 39 HE2 LYS 39 12.592 0.082 -13.457 297 2HE LYS 39 HE1 LYS 39 13.814 0.174 -14.724 298 1HZ LYS 39 HZ2 LYS 39 12.880 -1.877 -15.670 299 2HZ LYS 39 HZ1 LYS 39 11.664 -1.863 -14.494 300 3HZ LYS 39 HZ3 LYS 39 11.753 -0.617 -15.635 301 H THR 40 HN THR 40 15.799 0.809 -16.560 302 HA THR 40 HA THR 40 13.117 0.160 -17.179 303 HB THR 40 HB THR 40 14.728 2.502 -18.213 304 HG1 THR 40 HG1 THR 40 13.242 2.185 -15.820 305 1HG2 THR 40 2HG2 THR 40 11.764 2.105 -17.921 306 2HG2 THR 40 1HG2 THR 40 12.535 3.669 -18.190 307 3HG2 THR 40 3HG2 THR 40 12.673 2.396 -19.404 308 H TYR 41 HN TYR 41 15.862 0.875 -19.291 309 HA TYR 41 HA TYR 41 14.565 0.182 -21.710 310 1HB TYR 41 HB2 TYR 41 17.538 0.186 -21.153 311 2HB TYR 41 HB1 TYR 41 16.765 0.295 -22.730 312 HD1 TYR 41 HD1 TYR 41 17.984 2.121 -19.896 313 HD2 TYR 41 HD2 TYR 41 15.352 2.352 -23.232 314 HE1 TYR 41 HE1 TYR 41 17.980 4.573 -19.717 315 HE2 TYR 41 HE2 TYR 41 15.342 4.804 -23.061 316 HH TYR 41 HH TYR 41 17.412 6.567 -21.755 317 H LEU 42 HN LEU 42 16.578 -1.661 -19.459 318 HA LEU 42 HA LEU 42 16.881 -3.961 -21.078 319 1HB LEU 42 HB2 LEU 42 17.354 -3.254 -18.247 320 2HB LEU 42 HB1 LEU 42 17.147 -4.961 -18.587 321 HG LEU 42 HG LEU 42 18.985 -4.814 -20.255 322 1HD1 LEU 42 3HD1 LEU 42 19.070 -1.980 -19.272 323 2HD1 LEU 42 2HD1 LEU 42 20.483 -2.766 -19.975 324 3HD1 LEU 42 1HD1 LEU 42 19.014 -2.573 -20.931 325 1HD2 LEU 42 3HD2 LEU 42 19.587 -3.993 -17.419 326 2HD2 LEU 42 2HD2 LEU 42 19.504 -5.631 -18.069 327 3HD2 LEU 42 1HD2 LEU 42 20.803 -4.550 -18.569 328 HA PRO 43 HA PRO 43 12.937 -5.904 -20.372 329 1HB PRO 43 HB2 PRO 43 13.357 -8.141 -21.750 330 2HB PRO 43 HB1 PRO 43 13.336 -6.569 -22.559 331 1HG PRO 43 HG2 PRO 43 15.651 -8.297 -21.834 332 2HG PRO 43 HG1 PRO 43 15.430 -7.246 -23.243 333 1HD PRO 43 HD2 PRO 43 16.860 -6.633 -20.887 334 2HD PRO 43 HD1 PRO 43 16.404 -5.501 -22.175 335 H ALA 44 HN ALA 44 15.334 -6.430 -18.405 336 HA ALA 44 HA ALA 44 15.191 -9.131 -17.592 337 1HB ALA 44 HB3 ALA 44 15.995 -6.717 -15.975 338 2HB ALA 44 HB2 ALA 44 16.346 -8.399 -15.580 339 3HB ALA 44 HB1 ALA 44 17.059 -7.664 -17.015 340 H VAL 45 HN VAL 45 12.991 -6.561 -17.166 341 HA VAL 45 HA VAL 45 11.830 -6.748 -14.753 342 HB VAL 45 HB VAL 45 10.330 -6.631 -17.375 343 1HG1 VAL 45 3HG1 VAL 45 9.472 -6.072 -14.549 344 2HG1 VAL 45 2HG1 VAL 45 8.641 -5.379 -15.941 345 3HG1 VAL 45 1HG1 VAL 45 8.714 -7.129 -15.740 346 1HG2 VAL 45 2HG2 VAL 45 11.631 -4.547 -15.650 347 2HG2 VAL 45 1HG2 VAL 45 11.811 -4.821 -17.383 348 3HG2 VAL 45 3HG2 VAL 45 10.312 -4.141 -16.749 349 H ASP 46 HN ASP 46 10.878 -8.878 -17.465 350 HA ASP 46 HA ASP 46 9.220 -10.509 -15.815 351 1HB ASP 46 HB2 ASP 46 10.303 -10.926 -18.605 352 2HB ASP 46 HB1 ASP 46 9.155 -12.010 -17.825 353 H GLU 47 HN GLU 47 12.600 -10.655 -16.764 354 HA GLU 47 HA GLU 47 13.024 -13.397 -16.132 355 1HB GLU 47 HB2 GLU 47 14.529 -11.781 -17.477 356 2HB GLU 47 HB1 GLU 47 15.154 -11.282 -15.912 357 1HG GLU 47 HG2 GLU 47 15.179 -14.109 -16.946 358 2HG GLU 47 HG1 GLU 47 16.537 -12.990 -17.037 359 H LYS 48 HN LYS 48 13.825 -10.437 -14.293 360 HA LYS 48 HA LYS 48 14.745 -11.648 -11.973 361 1HB LYS 48 HB2 LYS 48 14.362 -9.063 -12.810 362 2HB LYS 48 HB1 LYS 48 13.192 -9.200 -11.505 363 1HG LYS 48 HG2 LYS 48 15.177 -8.373 -10.542 364 2HG LYS 48 HG1 LYS 48 15.066 -10.068 -10.065 365 1HD LYS 48 HD2 LYS 48 16.492 -9.718 -12.574 366 2HD LYS 48 HD1 LYS 48 17.242 -8.826 -11.249 367 1HE LYS 48 HE2 LYS 48 17.735 -10.728 -10.066 368 2HE LYS 48 HE1 LYS 48 16.404 -11.642 -10.771 369 1HZ LYS 48 HZ3 LYS 48 18.815 -10.838 -12.300 370 2HZ LYS 48 HZ2 LYS 48 18.669 -12.327 -11.513 371 3HZ LYS 48 HZ1 LYS 48 17.612 -11.930 -12.773 372 H LEU 49 HN LEU 49 11.462 -11.280 -13.095 373 HA LEU 49 HA LEU 49 10.123 -11.590 -10.630 374 1HB LEU 49 HB2 LEU 49 9.405 -11.363 -13.359 375 2HB LEU 49 HB1 LEU 49 8.676 -12.848 -12.778 376 HG LEU 49 HG LEU 49 7.830 -11.351 -10.808 377 1HD1 LEU 49 1HD1 LEU 49 9.127 -9.374 -11.413 378 2HD1 LEU 49 3HD1 LEU 49 8.299 -9.298 -12.968 379 3HD1 LEU 49 2HD1 LEU 49 7.396 -9.045 -11.474 380 1HD2 LEU 49 3HD2 LEU 49 6.423 -12.479 -12.481 381 2HD2 LEU 49 2HD2 LEU 49 5.799 -10.888 -12.046 382 3HD2 LEU 49 1HD2 LEU 49 6.650 -11.113 -13.574 383 H ARG 50 HN ARG 50 10.583 -14.003 -13.223 384 HA ARG 50 HA ARG 50 9.989 -16.240 -11.602 385 1HB ARG 50 HB2 ARG 50 11.486 -15.966 -14.211 386 2HB ARG 50 HB1 ARG 50 11.182 -17.522 -13.450 387 1HG ARG 50 HG2 ARG 50 8.767 -15.935 -13.684 388 2HG ARG 50 HG1 ARG 50 9.541 -16.214 -15.244 389 1HD ARG 50 HD2 ARG 50 7.996 -17.999 -14.845 390 2HD ARG 50 HD1 ARG 50 9.631 -18.640 -14.693 391 HE ARG 50 HE ARG 50 9.233 -19.066 -12.476 392 1HH1 ARG 50 1HH1 ARG 50 6.694 -16.977 -13.686 393 2HH1 ARG 50 2HH1 ARG 50 5.718 -17.139 -12.266 394 1HH2 ARG 50 1HH2 ARG 50 7.940 -19.274 -10.610 395 2HH2 ARG 50 2HH2 ARG 50 6.424 -18.442 -10.521 396 H ASP 51 HN ASP 51 12.912 -14.413 -12.198 397 HA ASP 51 HA ASP 51 14.868 -16.212 -11.378 398 1HB ASP 51 HB2 ASP 51 15.142 -13.861 -12.382 399 2HB ASP 51 HB1 ASP 51 14.990 -13.271 -10.731 400 H LEU 52 HN LEU 52 13.321 -13.689 -9.375 401 HA LEU 52 HA LEU 52 14.405 -14.679 -6.941 402 1HB LEU 52 HB2 LEU 52 12.383 -12.632 -7.703 403 2HB LEU 52 HB1 LEU 52 12.370 -13.211 -6.049 404 HG LEU 52 HG LEU 52 13.663 -11.157 -6.244 405 1HD1 LEU 52 1HD1 LEU 52 14.307 -12.928 -4.609 406 2HD1 LEU 52 3HD1 LEU 52 15.524 -13.475 -5.763 407 3HD1 LEU 52 2HD1 LEU 52 15.623 -11.853 -5.077 408 1HD2 LEU 52 2HD2 LEU 52 14.365 -11.379 -8.571 409 2HD2 LEU 52 1HD2 LEU 52 15.747 -11.092 -7.515 410 3HD2 LEU 52 3HD2 LEU 52 15.430 -12.714 -8.130 411 H TYR 53 HN TYR 53 11.640 -15.543 -8.830 412 HA TYR 53 HA TYR 53 10.034 -16.660 -6.779 413 1HB TYR 53 HB2 TYR 53 9.739 -16.208 -9.493 414 2HB TYR 53 HB1 TYR 53 9.793 -17.964 -9.388 415 HD1 TYR 53 HD1 TYR 53 7.641 -15.274 -9.453 416 HD2 TYR 53 HD2 TYR 53 8.307 -18.877 -7.290 417 HE1 TYR 53 HE1 TYR 53 5.278 -15.299 -8.777 418 HE2 TYR 53 HE2 TYR 53 5.946 -18.912 -6.610 419 HH TYR 53 HH TYR 53 3.652 -17.707 -7.854 420 H SER 54 HN SER 54 12.479 -18.037 -8.957 421 HA SER 54 HA SER 54 12.208 -20.722 -8.181 422 1HB SER 54 HB2 SER 54 13.506 -19.802 -10.174 423 2HB SER 54 HB1 SER 54 14.807 -19.442 -9.040 424 HG SER 54 HG SER 54 15.262 -21.506 -8.891 425 H LYS 55 HN LYS 55 14.434 -18.197 -7.005 426 HA LYS 55 HA LYS 55 15.730 -19.771 -5.065 427 1HB LYS 55 HB2 LYS 55 15.304 -16.793 -5.297 428 2HB LYS 55 HB1 LYS 55 16.240 -17.511 -3.995 429 1HG LYS 55 HG2 LYS 55 17.839 -18.393 -5.541 430 2HG LYS 55 HG1 LYS 55 16.848 -17.902 -6.916 431 1HD LYS 55 HD2 LYS 55 17.721 -15.830 -4.957 432 2HD LYS 55 HD1 LYS 55 18.893 -16.444 -6.124 433 1HE LYS 55 HE2 LYS 55 17.457 -15.808 -7.960 434 2HE LYS 55 HE1 LYS 55 16.192 -15.311 -6.839 435 1HZ LYS 55 HZ3 LYS 55 17.670 -13.586 -6.000 436 2HZ LYS 55 HZ2 LYS 55 18.874 -14.059 -7.090 437 3HZ LYS 55 HZ1 LYS 55 17.422 -13.411 -7.665 438 H SER 56 HN SER 56 12.891 -17.647 -4.855 439 HA SER 56 HA SER 56 12.455 -17.891 -2.090 440 1HB SER 56 HB2 SER 56 10.696 -17.144 -4.406 441 2HB SER 56 HB1 SER 56 10.024 -17.292 -2.783 442 HG SER 56 HG SER 56 11.136 -15.576 -2.140 443 H THR 57 HN THR 57 11.911 -20.233 -4.583 444 HA THR 57 HA THR 57 9.702 -21.604 -3.576 445 HB THR 57 HB THR 57 12.103 -22.828 -4.950 446 HG1 THR 57 HG1 THR 57 9.799 -21.577 -6.032 447 1HG2 THR 57 1HG2 THR 57 9.238 -23.723 -4.794 448 2HG2 THR 57 3HG2 THR 57 10.446 -24.402 -5.886 449 3HG2 THR 57 2HG2 THR 57 10.652 -24.549 -4.140 450 H ALA 58 HN ALA 58 13.167 -22.235 -2.973 451 HA ALA 58 HA ALA 58 12.499 -24.050 -0.802 452 1HB ALA 58 HB3 ALA 58 14.302 -24.654 -2.328 453 2HB ALA 58 HB2 ALA 58 15.186 -23.198 -1.873 454 3HB ALA 58 HB1 ALA 58 14.904 -24.466 -0.681 455 H ALA 59 HN ALA 59 14.104 -20.910 -1.239 456 HA ALA 59 HA ALA 59 14.884 -20.516 1.432 457 1HB ALA 59 HB3 ALA 59 15.122 -18.156 0.831 458 2HB ALA 59 HB1 ALA 59 14.239 -18.449 -0.668 459 3HB ALA 59 HB2 ALA 59 15.806 -19.214 -0.403 460 H MET 60 HN MET 60 12.133 -18.965 -0.259 461 HA MET 60 HA MET 60 10.982 -17.876 2.056 462 1HB MET 60 HB2 MET 60 10.543 -17.371 -0.463 463 2HB MET 60 HB1 MET 60 9.315 -18.621 -0.320 464 1HG MET 60 HG2 MET 60 8.407 -16.367 -0.026 465 2HG MET 60 HG1 MET 60 8.180 -17.379 1.399 466 1HE MET 60 HE1 MET 60 7.908 -15.834 3.335 467 2HE MET 60 HE3 MET 60 9.222 -16.947 3.713 468 3HE MET 60 HE2 MET 60 9.364 -15.239 4.132 469 H SER 61 HN SER 61 10.907 -21.128 0.889 470 HA SER 61 HA SER 61 8.426 -21.937 1.984 471 1HB SER 61 HB2 SER 61 10.711 -23.213 0.718 472 2HB SER 61 HB1 SER 61 10.060 -24.193 2.032 473 HG SER 61 HG SER 61 8.921 -23.488 -0.395 474 H THR 62 HN THR 62 11.405 -21.165 3.501 475 HA THR 62 HA THR 62 10.732 -22.704 5.901 476 HB THR 62 HB THR 62 12.975 -22.040 6.711 477 HG1 THR 62 HG1 THR 62 13.713 -20.294 5.809 478 1HG2 THR 62 3HG2 THR 62 12.738 -24.099 5.362 479 2HG2 THR 62 2HG2 THR 62 13.161 -23.162 3.929 480 3HG2 THR 62 1HG2 THR 62 14.328 -23.346 5.238 481 H TYR 63 HN TYR 63 11.569 -19.376 4.943 482 HA TYR 63 HA TYR 63 10.967 -18.194 7.418 483 1HB TYR 63 HB2 TYR 63 11.728 -17.300 4.753 484 2HB TYR 63 HB1 TYR 63 10.572 -16.212 5.513 485 HD1 TYR 63 HD1 TYR 63 11.145 -15.049 7.599 486 HD2 TYR 63 HD2 TYR 63 13.973 -17.515 5.595 487 HE1 TYR 63 HE1 TYR 63 12.955 -14.036 8.919 488 HE2 TYR 63 HE2 TYR 63 15.791 -16.510 6.909 489 HH TYR 63 HH TYR 63 15.617 -15.141 9.547 490 H THR 64 HN THR 64 8.939 -19.361 4.876 491 HA THR 64 HA THR 64 6.736 -17.625 5.369 492 HB THR 64 HB THR 64 7.061 -20.232 3.925 493 HG1 THR 64 HG1 THR 64 7.081 -18.920 2.306 494 1HG2 THR 64 1HG2 THR 64 4.435 -18.968 4.638 495 2HG2 THR 64 3HG2 THR 64 4.645 -19.992 3.217 496 3HG2 THR 64 2HG2 THR 64 4.935 -20.648 4.828 497 H GLY 65 HN GLY 65 7.261 -21.036 6.244 498 1HA GLY 65 HA1 GLY 65 6.455 -22.266 8.016 499 2HA GLY 65 HA2 GLY 65 5.088 -21.158 8.057 500 H ILE 66 HN ILE 66 8.495 -20.327 8.409 501 HA ILE 66 HA ILE 66 8.572 -20.198 11.232 502 HB ILE 66 HB ILE 66 10.280 -18.925 9.102 503 1HG1 ILE 66 2HG1 ILE 66 10.452 -21.377 9.485 504 2HG1 ILE 66 1HG1 ILE 66 11.948 -20.522 9.842 505 1HG2 ILE 66 2HG2 ILE 66 10.416 -18.554 12.074 506 2HG2 ILE 66 1HG2 ILE 66 11.858 -18.431 11.066 507 3HG2 ILE 66 3HG2 ILE 66 10.499 -17.339 10.797 508 1HD1 ILE 66 2HD1 ILE 66 11.408 -20.618 12.233 509 2HD1 ILE 66 1HD1 ILE 66 9.940 -21.517 11.850 510 3HD1 ILE 66 3HD1 ILE 66 11.521 -22.219 11.503 511 H PHE 67 HN PHE 67 8.400 -17.550 8.839 512 HA PHE 67 HA PHE 67 8.011 -15.432 10.571 513 1HB PHE 67 HB2 PHE 67 8.376 -15.152 8.154 514 2HB PHE 67 HB1 PHE 67 6.760 -15.771 7.835 515 HD1 PHE 67 HD1 PHE 67 4.832 -14.395 8.110 516 HD2 PHE 67 HD2 PHE 67 8.682 -12.956 9.213 517 HE1 PHE 67 HE1 PHE 67 3.924 -12.117 8.291 518 HE2 PHE 67 HE2 PHE 67 7.781 -10.675 9.397 519 HZ PHE 67 HZ PHE 67 5.398 -10.253 8.936 520 H THR 68 HN THR 68 5.435 -17.269 8.920 521 HA THR 68 HA THR 68 3.319 -16.043 10.312 522 HB THR 68 HB THR 68 3.231 -17.362 8.117 523 HG1 THR 68 HG1 THR 68 1.307 -16.699 8.827 524 1HG2 THR 68 1HG2 THR 68 4.215 -19.459 9.172 525 2HG2 THR 68 3HG2 THR 68 2.619 -19.704 9.880 526 3HG2 THR 68 2HG2 THR 68 2.807 -19.654 8.127 527 H ASP 69 HN ASP 69 5.509 -18.495 11.270 528 HA ASP 69 HA ASP 69 3.963 -19.979 13.069 529 1HB ASP 69 HB2 ASP 69 6.641 -19.921 12.362 530 2HB ASP 69 HB1 ASP 69 6.665 -19.460 14.060 531 H GLN 70 HN GLN 70 6.013 -17.137 13.765 532 HA GLN 70 HA GLN 70 5.081 -16.860 16.438 533 1HB GLN 70 HB2 GLN 70 6.557 -14.956 14.617 534 2HB GLN 70 HB1 GLN 70 6.195 -14.602 16.301 535 1HG GLN 70 HG2 GLN 70 8.116 -15.563 16.825 536 2HG GLN 70 HG1 GLN 70 7.401 -17.105 16.357 537 1HE2 GLN 70 1HE2 GLN 70 9.348 -14.399 15.250 538 2HE2 GLN 70 2HE2 GLN 70 10.116 -15.242 13.952 539 H VAL 71 HN VAL 71 3.895 -15.758 13.377 540 HA VAL 71 HA VAL 71 2.306 -13.587 14.297 541 HB VAL 71 HB VAL 71 1.982 -15.315 11.829 542 1HG1 VAL 71 2HG1 VAL 71 0.609 -12.775 12.669 543 2HG1 VAL 71 1HG1 VAL 71 0.677 -13.312 10.991 544 3HG1 VAL 71 3HG1 VAL 71 -0.122 -14.311 12.206 545 1HG2 VAL 71 3HG2 VAL 71 4.092 -13.822 12.234 546 2HG2 VAL 71 2HG2 VAL 71 3.290 -13.821 10.663 547 3HG2 VAL 71 1HG2 VAL 71 2.996 -12.509 11.803 548 H LEU 72 HN LEU 72 1.539 -16.929 13.394 549 HA LEU 72 HA LEU 72 -1.134 -16.965 14.216 550 1HB LEU 72 HB2 LEU 72 0.940 -18.978 13.605 551 2HB LEU 72 HB1 LEU 72 -0.339 -19.529 14.671 552 HG LEU 72 HG LEU 72 -1.958 -18.632 12.876 553 1HD1 LEU 72 1HD1 LEU 72 -0.246 -17.373 11.625 554 2HD1 LEU 72 3HD1 LEU 72 0.532 -18.897 11.198 555 3HD1 LEU 72 2HD1 LEU 72 -1.098 -18.547 10.622 556 1HD2 LEU 72 3HD2 LEU 72 -1.621 -21.001 13.367 557 2HD2 LEU 72 2HD2 LEU 72 -1.833 -20.730 11.638 558 3HD2 LEU 72 1HD2 LEU 72 -0.222 -21.029 12.292 559 H SER 73 HN SER 73 1.891 -17.424 15.955 560 HA SER 73 HA SER 73 0.848 -18.423 18.355 561 1HB SER 73 HB2 SER 73 2.978 -18.276 19.124 562 2HB SER 73 HB1 SER 73 3.367 -17.836 17.463 563 HG SER 73 HG SER 73 3.482 -15.735 18.031 564 H VAL 74 HN VAL 74 1.086 -15.140 17.151 565 HA VAL 74 HA VAL 74 0.292 -13.887 19.593 566 HB VAL 74 HB VAL 74 0.066 -12.791 16.781 567 1HG1 VAL 74 2HG1 VAL 74 -0.117 -11.552 19.505 568 2HG1 VAL 74 1HG1 VAL 74 0.373 -10.601 18.103 569 3HG1 VAL 74 3HG1 VAL 74 -1.208 -11.383 18.129 570 1HG2 VAL 74 2HG2 VAL 74 2.385 -13.352 18.403 571 2HG2 VAL 74 1HG2 VAL 74 2.291 -12.782 16.738 572 3HG2 VAL 74 3HG2 VAL 74 2.253 -11.625 18.068 573 H LEU 75 HN LEU 75 -1.395 -15.579 17.113 574 HA LEU 75 HA LEU 75 -3.920 -14.317 17.290 575 1HB LEU 75 HB2 LEU 75 -3.097 -15.968 15.518 576 2HB LEU 75 HB1 LEU 75 -3.494 -17.229 16.669 577 HG LEU 75 HG LEU 75 -5.643 -15.278 16.073 578 1HD1 LEU 75 2HD1 LEU 75 -4.699 -15.616 13.855 579 2HD1 LEU 75 1HD1 LEU 75 -4.772 -17.364 14.077 580 3HD1 LEU 75 3HD1 LEU 75 -6.261 -16.422 14.003 581 1HD2 LEU 75 3HD2 LEU 75 -5.368 -18.182 16.708 582 2HD2 LEU 75 2HD2 LEU 75 -6.349 -16.946 17.495 583 3HD2 LEU 75 1HD2 LEU 75 -6.837 -17.595 15.930 584 H LYS 76 HN LYS 76 -2.356 -16.845 19.106 585 HA LYS 76 HA LYS 76 -4.648 -17.648 20.600 586 1HB LYS 76 HB2 LYS 76 -2.382 -18.884 20.207 587 2HB LYS 76 HB1 LYS 76 -1.842 -17.974 21.609 588 1HG LYS 76 HG2 LYS 76 -3.670 -18.939 22.928 589 2HG LYS 76 HG1 LYS 76 -4.174 -19.877 21.521 590 1HD LYS 76 HD2 LYS 76 -1.971 -20.977 21.493 591 2HD LYS 76 HD1 LYS 76 -1.515 -20.070 22.937 592 1HE LYS 76 HE2 LYS 76 -3.360 -21.118 24.167 593 2HE LYS 76 HE1 LYS 76 -3.800 -22.031 22.724 594 1HZ LYS 76 HZ1 LYS 76 -1.636 -23.112 22.797 595 2HZ LYS 76 HZ3 LYS 76 -1.222 -22.239 24.187 596 3HZ LYS 76 HZ2 LYS 76 -2.482 -23.365 24.239 597 H GLY 77 HN GLY 77 -1.953 -15.414 21.238 598 1HA GLY 77 HA1 GLY 77 -1.587 -14.229 23.272 599 2HA GLY 77 HA2 GLY 77 -3.229 -14.614 23.761 600 H GLU 78 HN GLU 78 -4.715 -13.775 21.615 601 HA GLU 78 HA GLU 78 -4.856 -10.986 22.039 602 1HB GLU 78 HB2 GLU 78 -2.909 -10.901 20.571 603 2HB GLU 78 HB1 GLU 78 -3.755 -11.847 19.357 604 1HG GLU 78 HG2 GLU 78 -5.048 -9.335 20.215 605 2HG GLU 78 HG1 GLU 78 -3.564 -9.189 19.274 606 H GLU 79 HN GLU 79 -5.467 -13.202 19.297 607 HA GLU 79 HA GLU 79 -8.128 -12.161 18.941 608 1HB GLU 79 HB2 GLU 79 -6.734 -12.888 17.032 609 2HB GLU 79 HB1 GLU 79 -6.792 -14.539 17.634 610 1HG GLU 79 HG2 GLU 79 -9.444 -13.439 17.356 611 2HG GLU 79 HG1 GLU 79 -8.542 -13.336 15.844 No H/Q in entry = 611 Start of MODEL 54 1 H1 THR 1 HT1 THR 1 10.991 -4.613 39.078 2 H2 THR 1 HT3 THR 1 11.085 -4.201 40.740 3 H3 THR 1 HT2 THR 1 10.087 -3.287 39.686 4 HA THR 1 HA THR 1 12.061 -2.096 40.172 5 HB THR 1 HB THR 1 14.227 -3.106 39.251 6 HG1 THR 1 HG1 THR 1 12.867 -5.564 39.571 7 1HG2 THR 1 2HG2 THR 1 13.714 -2.965 41.678 8 2HG2 THR 1 1HG2 THR 1 13.061 -4.600 41.582 9 3HG2 THR 1 3HG2 THR 1 14.763 -4.308 41.229 10 H GLN 2 HN GLN 2 11.960 -0.503 38.741 11 HA GLN 2 HA GLN 2 11.821 -1.178 35.874 12 1HB GLN 2 HB2 GLN 2 10.409 0.867 37.522 13 2HB GLN 2 HB1 GLN 2 10.798 1.274 35.856 14 1HG GLN 2 HG2 GLN 2 8.559 0.399 35.996 15 2HG GLN 2 HG1 GLN 2 9.587 -0.715 35.095 16 1HE2 GLN 2 1HE2 GLN 2 8.509 -0.111 38.432 17 2HE2 GLN 2 2HE2 GLN 2 8.288 -1.774 38.838 18 H GLN 3 HN GLN 3 13.079 -0.048 34.421 19 HA GLN 3 HA GLN 3 14.756 2.132 35.324 20 1HB GLN 3 HB2 GLN 3 15.741 -0.526 35.361 21 2HB GLN 3 HB1 GLN 3 16.501 0.276 33.995 22 1HG GLN 3 HG2 GLN 3 16.445 1.519 36.721 23 2HG GLN 3 HG1 GLN 3 17.691 0.368 36.243 24 1HE2 GLN 3 1HE2 GLN 3 19.444 1.651 36.128 25 2HE2 GLN 3 2HE2 GLN 3 19.588 3.026 35.092 26 HA PRO 4 HA PRO 4 13.170 2.359 30.922 27 1HB PRO 4 HB2 PRO 4 12.611 5.046 31.127 28 2HB PRO 4 HB1 PRO 4 11.450 3.756 31.458 29 1HG PRO 4 HG2 PRO 4 13.115 5.343 33.369 30 2HG PRO 4 HG1 PRO 4 11.420 4.842 33.508 31 1HD PRO 4 HD2 PRO 4 13.375 3.557 34.821 32 2HD PRO 4 HD1 PRO 4 11.980 2.686 34.151 33 H GLN 5 HN GLN 5 15.522 4.113 32.819 34 HA GLN 5 HA GLN 5 16.673 5.577 30.651 35 1HB GLN 5 HB2 GLN 5 18.003 4.832 33.262 36 2HB GLN 5 HB1 GLN 5 18.447 6.146 32.183 37 1HG GLN 5 HG2 GLN 5 17.240 7.440 33.527 38 2HG GLN 5 HG1 GLN 5 15.831 6.715 32.755 39 1HE2 GLN 5 1HE2 GLN 5 17.998 6.493 35.520 40 2HE2 GLN 5 2HE2 GLN 5 16.880 5.690 36.564 41 H GLN 6 HN GLN 6 17.627 2.626 32.404 42 HA GLN 6 HA GLN 6 19.884 2.067 30.776 43 1HB GLN 6 HB2 GLN 6 18.359 0.669 32.894 44 2HB GLN 6 HB1 GLN 6 19.248 -0.365 31.785 45 1HG GLN 6 HG2 GLN 6 20.548 1.951 33.172 46 2HG GLN 6 HG1 GLN 6 20.418 0.363 33.925 47 1HE2 GLN 6 1HE2 GLN 6 21.515 -1.405 32.967 48 2HE2 GLN 6 2HE2 GLN 6 22.864 -1.150 31.920 49 H ASP 7 HN ASP 7 19.905 -0.310 29.728 50 HA ASP 7 HA ASP 7 18.212 -0.124 27.443 51 1HB ASP 7 HB2 ASP 7 20.565 -1.074 27.484 52 2HB ASP 7 HB1 ASP 7 19.884 -2.514 28.234 53 H GLU 8 HN GLU 8 16.260 -0.973 27.105 54 HA GLU 8 HA GLU 8 14.878 -2.339 29.182 55 1HB GLU 8 HB2 GLU 8 14.228 -1.455 26.408 56 2HB GLU 8 HB1 GLU 8 13.193 -2.667 27.150 57 1HG GLU 8 HG2 GLU 8 12.393 -0.335 27.417 58 2HG GLU 8 HG1 GLU 8 12.620 -1.199 28.935 59 H MET 9 HN MET 9 15.096 -4.408 29.685 60 HA MET 9 HA MET 9 16.370 -6.293 27.984 61 1HB MET 9 HB2 MET 9 14.858 -6.625 30.576 62 2HB MET 9 HB1 MET 9 15.645 -7.959 29.746 63 1HG MET 9 HG2 MET 9 16.995 -5.486 30.806 64 2HG MET 9 HG1 MET 9 17.029 -7.087 31.541 65 1HE MET 9 HE3 MET 9 19.051 -4.679 29.744 66 2HE MET 9 HE2 MET 9 19.735 -5.464 28.321 67 3HE MET 9 HE1 MET 9 18.034 -4.999 28.340 68 HA PRO 10 HA PRO 10 11.893 -8.173 27.519 69 1HB PRO 10 HB2 PRO 10 10.165 -5.832 27.997 70 2HB PRO 10 HB1 PRO 10 10.009 -7.484 28.602 71 1HG PRO 10 HG2 PRO 10 10.723 -5.458 30.211 72 2HG PRO 10 HG1 PRO 10 11.381 -7.092 30.416 73 1HD PRO 10 HD2 PRO 10 12.639 -4.685 29.150 74 2HD PRO 10 HD1 PRO 10 13.360 -5.899 30.227 75 H SER 11 HN SER 11 11.649 -4.658 26.872 76 HA SER 11 HA SER 11 10.701 -5.059 24.207 77 1HB SER 11 HB2 SER 11 10.177 -3.053 25.646 78 2HB SER 11 HB1 SER 11 11.832 -2.508 25.378 79 HG SER 11 HG SER 11 11.367 -2.037 23.344 80 HA PRO 12 HA PRO 12 14.808 -5.845 22.534 81 1HB PRO 12 HB2 PRO 12 13.364 -5.728 19.958 82 2HB PRO 12 HB1 PRO 12 14.337 -7.032 20.644 83 1HG PRO 12 HG2 PRO 12 11.671 -7.215 20.499 84 2HG PRO 12 HG1 PRO 12 12.574 -7.884 21.872 85 1HD PRO 12 HD2 PRO 12 11.010 -5.335 21.690 86 2HD PRO 12 HD1 PRO 12 11.092 -6.515 23.016 87 H THR 13 HN THR 13 16.073 -4.078 22.616 88 HA THR 13 HA THR 13 15.342 -1.552 21.507 89 HB THR 13 HB THR 13 17.785 -0.991 22.024 90 HG1 THR 13 HG1 THR 13 18.889 -2.804 22.168 91 1HG2 THR 13 3HG2 THR 13 15.813 -0.681 23.610 92 2HG2 THR 13 2HG2 THR 13 16.399 -2.138 24.415 93 3HG2 THR 13 1HG2 THR 13 17.434 -0.714 24.305 94 H PHE 14 HN PHE 14 14.861 -2.272 19.320 95 HA PHE 14 HA PHE 14 17.284 -2.467 17.650 96 1HB PHE 14 HB2 PHE 14 14.636 -3.868 17.385 97 2HB PHE 14 HB1 PHE 14 15.698 -3.655 15.997 98 HD1 PHE 14 HD1 PHE 14 15.399 -5.203 19.328 99 HD2 PHE 14 HD2 PHE 14 17.636 -4.987 15.714 100 HE1 PHE 14 HE1 PHE 14 16.659 -7.209 19.992 101 HE2 PHE 14 HE2 PHE 14 18.899 -6.993 16.371 102 HZ PHE 14 HZ PHE 14 18.411 -8.107 18.513 103 H LEU 15 HN LEU 15 14.173 -0.935 18.120 104 HA LEU 15 HA LEU 15 13.868 0.256 15.596 105 1HB LEU 15 HB2 LEU 15 12.380 1.858 16.738 106 2HB LEU 15 HB1 LEU 15 12.026 0.188 17.136 107 HG LEU 15 HG LEU 15 13.764 0.965 19.150 108 1HD1 LEU 15 1HD1 LEU 15 13.578 3.298 18.427 109 2HD1 LEU 15 3HD1 LEU 15 11.826 3.211 18.612 110 3HD1 LEU 15 2HD1 LEU 15 12.872 3.047 20.024 111 1HD2 LEU 15 3HD2 LEU 15 10.748 0.966 19.136 112 2HD2 LEU 15 2HD2 LEU 15 11.785 -0.435 19.398 113 3HD2 LEU 15 1HD2 LEU 15 11.773 0.884 20.569 114 H THR 16 HN THR 16 15.677 1.274 18.455 115 HA THR 16 HA THR 16 16.249 3.905 17.715 116 HB THR 16 HB THR 16 18.125 2.058 19.202 117 HG1 THR 16 HG1 THR 16 16.516 1.896 20.540 118 1HG2 THR 16 1HG2 THR 16 17.709 5.033 19.355 119 2HG2 THR 16 3HG2 THR 16 18.706 4.090 20.461 120 3HG2 THR 16 2HG2 THR 16 19.138 4.190 18.754 121 H GLN 17 HN GLN 17 17.982 0.894 16.962 122 HA GLN 17 HA GLN 17 20.149 2.046 15.598 123 1HB GLN 17 HB2 GLN 17 19.811 -0.380 16.425 124 2HB GLN 17 HB1 GLN 17 19.013 -0.642 14.881 125 1HG GLN 17 HG2 GLN 17 21.065 0.113 13.734 126 2HG GLN 17 HG1 GLN 17 21.854 0.258 15.303 127 1HE2 GLN 17 1HE2 GLN 17 20.396 -1.992 13.034 128 2HE2 GLN 17 2HE2 GLN 17 21.209 -3.399 13.619 129 H VAL 18 HN VAL 18 16.997 0.924 14.433 130 HA VAL 18 HA VAL 18 17.019 0.829 11.802 131 HB VAL 18 HB VAL 18 15.074 2.528 13.364 132 1HG1 VAL 18 1HG1 VAL 18 15.020 1.584 10.514 133 2HG1 VAL 18 3HG1 VAL 18 13.545 1.973 11.399 134 3HG1 VAL 18 2HG1 VAL 18 14.772 3.213 11.141 135 1HG2 VAL 18 1HG2 VAL 18 14.980 -0.348 12.458 136 2HG2 VAL 18 3HG2 VAL 18 15.133 0.229 14.116 137 3HG2 VAL 18 2HG2 VAL 18 13.644 0.517 13.217 138 H LYS 19 HN LYS 19 17.175 3.984 13.467 139 HA LYS 19 HA LYS 19 17.118 5.664 11.286 140 1HB LYS 19 HB2 LYS 19 18.352 5.851 13.993 141 2HB LYS 19 HB1 LYS 19 18.768 7.079 12.807 142 1HG LYS 19 HG2 LYS 19 16.983 8.031 13.909 143 2HG LYS 19 HG1 LYS 19 16.212 7.309 12.495 144 1HD LYS 19 HD2 LYS 19 16.407 5.511 14.802 145 2HD LYS 19 HD1 LYS 19 15.418 6.944 15.087 146 1HE LYS 19 HE2 LYS 19 14.052 6.435 13.163 147 2HE LYS 19 HE1 LYS 19 15.091 5.075 12.742 148 1HZ LYS 19 HZ3 LYS 19 14.455 4.021 14.845 149 2HZ LYS 19 HZ2 LYS 19 13.408 5.307 15.180 150 3HZ LYS 19 HZ1 LYS 19 13.114 4.301 13.852 151 H GLU 20 HN GLU 20 20.054 4.308 12.795 152 HA GLU 20 HA GLU 20 21.845 5.349 10.879 153 1HB GLU 20 HB2 GLU 20 22.214 2.871 12.570 154 2HB GLU 20 HB1 GLU 20 23.485 3.811 11.802 155 1HG GLU 20 HG2 GLU 20 23.674 4.751 13.822 156 2HG GLU 20 HG1 GLU 20 22.299 5.721 13.295 157 H SER 21 HN SER 21 19.861 2.501 10.964 158 HA SER 21 HA SER 21 21.129 0.980 8.960 159 1HB SER 21 HB2 SER 21 19.206 0.347 10.624 160 2HB SER 21 HB1 SER 21 18.151 0.911 9.328 161 HG SER 21 HG SER 21 18.719 -0.751 8.118 162 H LEU 22 HN LEU 22 18.697 3.537 8.805 163 HA LEU 22 HA LEU 22 18.148 3.251 6.026 164 1HB LEU 22 HB2 LEU 22 17.483 5.192 8.160 165 2HB LEU 22 HB1 LEU 22 17.444 5.809 6.520 166 HG LEU 22 HG LEU 22 15.230 5.100 7.192 167 1HD1 LEU 22 2HD1 LEU 22 16.051 4.742 4.836 168 2HD1 LEU 22 1HD1 LEU 22 16.278 3.046 5.263 169 3HD1 LEU 22 3HD1 LEU 22 14.668 3.764 5.326 170 1HD2 LEU 22 2HD2 LEU 22 16.461 2.383 7.638 171 2HD2 LEU 22 1HD2 LEU 22 15.848 3.467 8.886 172 3HD2 LEU 22 3HD2 LEU 22 14.739 2.759 7.712 173 H SER 23 HN SER 23 20.393 5.253 7.897 174 HA SER 23 HA SER 23 21.252 6.938 5.834 175 1HB SER 23 HB2 SER 23 21.775 7.184 8.300 176 2HB SER 23 HB1 SER 23 22.997 5.930 8.090 177 HG SER 23 HG SER 23 24.247 7.306 7.072 178 H SER 24 HN SER 24 22.722 3.908 7.004 179 HA SER 24 HA SER 24 24.701 3.761 4.995 180 1HB SER 24 HB2 SER 24 23.459 1.539 6.637 181 2HB SER 24 HB1 SER 24 24.940 1.399 5.690 182 HG SER 24 HG SER 24 24.490 2.664 8.118 183 H TYR 25 HN TYR 25 21.323 3.150 4.912 184 HA TYR 25 HA TYR 25 21.353 1.258 2.754 185 1HB TYR 25 HB2 TYR 25 19.496 1.578 4.490 186 2HB TYR 25 HB1 TYR 25 19.012 2.986 3.551 187 HD1 TYR 25 HD1 TYR 25 18.060 2.721 1.313 188 HD2 TYR 25 HD2 TYR 25 19.125 -0.663 3.663 189 HE1 TYR 25 HE1 TYR 25 16.739 1.278 -0.175 190 HE2 TYR 25 HE2 TYR 25 17.806 -2.114 2.181 191 HH TYR 25 HH TYR 25 17.013 -1.650 -0.623 192 H TRP 26 HN TRP 26 20.858 4.759 3.054 193 HA TRP 26 HA TRP 26 20.184 5.249 0.363 194 1HB TRP 26 HB2 TRP 26 19.852 6.849 2.269 195 2HB TRP 26 HB1 TRP 26 21.586 7.158 2.241 196 HD1 TRP 26 HD1 TRP 26 18.367 8.051 0.472 197 HE1 TRP 26 HE1 TRP 26 18.845 9.836 -1.320 198 HE3 TRP 26 HE3 TRP 26 23.479 7.949 0.564 199 HZ2 TRP 26 HZ2 TRP 26 21.091 11.040 -2.534 200 HZ3 TRP 26 HZ3 TRP 26 24.716 9.448 -0.944 201 HH2 TRP 26 HH2 TRP 26 23.545 10.961 -2.460 202 H GLU 27 HN GLU 27 23.275 5.061 2.028 203 HA GLU 27 HA GLU 27 25.081 6.137 0.323 204 1HB GLU 27 HB2 GLU 27 25.375 3.438 1.660 205 2HB GLU 27 HB1 GLU 27 26.692 4.429 1.052 206 1HG GLU 27 HG2 GLU 27 24.933 4.894 3.428 207 2HG GLU 27 HG1 GLU 27 26.690 4.799 3.350 208 H SER 28 HN SER 28 24.007 2.751 0.113 209 HA SER 28 HA SER 28 25.041 2.496 -2.574 210 1HB SER 28 HB2 SER 28 25.014 0.663 -0.759 211 2HB SER 28 HB1 SER 28 23.310 0.469 -1.169 212 HG SER 28 HG SER 28 25.588 -0.115 -2.676 213 H ALA 29 HN ALA 29 22.052 3.383 -1.089 214 HA ALA 29 HA ALA 29 20.217 2.519 -3.039 215 1HB ALA 29 HB2 ALA 29 19.624 3.424 -0.792 216 2HB ALA 29 HB1 ALA 29 19.986 5.037 -1.403 217 3HB ALA 29 HB3 ALA 29 18.677 4.097 -2.118 218 H LYS 30 HN LYS 30 22.289 5.376 -2.911 219 HA LYS 30 HA LYS 30 21.157 6.916 -4.905 220 1HB LYS 30 HB2 LYS 30 23.278 7.266 -3.342 221 2HB LYS 30 HB1 LYS 30 24.130 6.754 -4.790 222 1HG LYS 30 HG2 LYS 30 22.106 8.961 -4.872 223 2HG LYS 30 HG1 LYS 30 23.781 9.259 -4.406 224 1HD LYS 30 HD2 LYS 30 23.046 7.858 -6.965 225 2HD LYS 30 HD1 LYS 30 23.185 9.612 -6.856 226 1HE LYS 30 HE2 LYS 30 25.338 9.273 -7.375 227 2HE LYS 30 HE1 LYS 30 25.508 8.803 -5.685 228 1HZ LYS 30 HZ3 LYS 30 24.762 6.809 -7.731 229 2HZ LYS 30 HZ2 LYS 30 26.382 7.232 -7.494 230 3HZ LYS 30 HZ1 LYS 30 25.490 6.565 -6.223 231 H THR 31 HN THR 31 23.882 4.667 -5.383 232 HA THR 31 HA THR 31 24.040 4.755 -8.134 233 HB THR 31 HB THR 31 24.890 2.371 -7.981 234 HG1 THR 31 HG1 THR 31 23.968 1.457 -6.277 235 1HG2 THR 31 1HG2 THR 31 26.371 4.352 -7.660 236 2HG2 THR 31 3HG2 THR 31 26.132 4.170 -5.922 237 3HG2 THR 31 2HG2 THR 31 26.904 2.882 -6.846 238 H ALA 32 HN ALA 32 21.786 3.014 -6.093 239 HA ALA 32 HA ALA 32 20.607 1.393 -8.080 240 1HB ALA 32 HB2 ALA 32 18.910 2.419 -5.869 241 2HB ALA 32 HB1 ALA 32 19.100 0.777 -6.484 242 3HB ALA 32 HB3 ALA 32 20.336 1.475 -5.436 243 H ALA 33 HN ALA 33 19.880 4.681 -6.937 244 HA ALA 33 HA ALA 33 17.533 5.197 -8.283 245 1HB ALA 33 HB1 ALA 33 18.790 6.718 -6.683 246 2HB ALA 33 HB3 ALA 33 19.730 7.236 -8.082 247 3HB ALA 33 HB2 ALA 33 17.987 7.497 -8.046 248 H GLN 34 HN GLN 34 20.809 5.822 -9.546 249 HA GLN 34 HA GLN 34 19.923 6.521 -12.139 250 1HB GLN 34 HB2 GLN 34 22.608 5.453 -11.236 251 2HB GLN 34 HB1 GLN 34 22.287 6.151 -12.817 252 1HG GLN 34 HG2 GLN 34 22.687 8.175 -12.034 253 2HG GLN 34 HG1 GLN 34 21.418 7.988 -10.825 254 1HE2 GLN 34 1HE2 GLN 34 24.473 8.877 -11.099 255 2HE2 GLN 34 2HE2 GLN 34 25.118 8.322 -9.596 256 H ASN 35 HN ASN 35 20.826 3.487 -10.612 257 HA ASN 35 HA ASN 35 20.894 1.882 -12.928 258 1HB ASN 35 HB2 ASN 35 21.657 1.316 -10.517 259 2HB ASN 35 HB1 ASN 35 19.982 0.843 -10.256 260 1HD2 ASN 35 1HD2 ASN 35 19.142 -0.935 -11.393 261 2HD2 ASN 35 2HD2 ASN 35 20.180 -2.113 -12.116 262 H LEU 36 HN LEU 36 18.264 3.126 -11.057 263 HA LEU 36 HA LEU 36 16.192 1.402 -11.794 264 1HB LEU 36 HB2 LEU 36 16.183 3.391 -10.130 265 2HB LEU 36 HB1 LEU 36 15.836 4.381 -11.535 266 HG LEU 36 HG LEU 36 14.085 2.024 -11.085 267 1HD1 LEU 36 2HD1 LEU 36 14.311 2.920 -8.831 268 2HD1 LEU 36 1HD1 LEU 36 13.910 4.532 -9.420 269 3HD1 LEU 36 3HD1 LEU 36 12.706 3.246 -9.484 270 1HD2 LEU 36 1HD2 LEU 36 13.658 4.867 -11.994 271 2HD2 LEU 36 3HD2 LEU 36 13.702 3.423 -13.005 272 3HD2 LEU 36 2HD2 LEU 36 12.384 3.654 -11.857 273 H TYR 37 HN TYR 37 17.489 4.327 -13.246 274 HA TYR 37 HA TYR 37 15.845 4.356 -15.555 275 1HB TYR 37 HB2 TYR 37 17.537 6.150 -14.516 276 2HB TYR 37 HB1 TYR 37 18.621 5.436 -15.707 277 HD1 TYR 37 HD1 TYR 37 15.458 7.280 -15.250 278 HD2 TYR 37 HD2 TYR 37 18.336 5.861 -18.044 279 HE1 TYR 37 HE1 TYR 37 14.446 8.685 -16.996 280 HE2 TYR 37 HE2 TYR 37 17.335 7.263 -19.797 281 HH TYR 37 HH TYR 37 15.666 9.717 -19.464 282 H GLU 38 HN GLU 38 18.929 2.843 -14.759 283 HA GLU 38 HA GLU 38 19.674 1.969 -17.319 284 1HB GLU 38 HB2 GLU 38 21.219 1.873 -15.442 285 2HB GLU 38 HB1 GLU 38 20.206 0.688 -14.633 286 1HG GLU 38 HG2 GLU 38 21.180 0.001 -17.341 287 2HG GLU 38 HG1 GLU 38 22.366 0.031 -16.037 288 H LYS 39 HN LYS 39 18.108 0.024 -14.794 289 HA LYS 39 HA LYS 39 17.532 -2.174 -16.424 290 1HB LYS 39 HB2 LYS 39 17.382 -1.691 -13.769 291 2HB LYS 39 HB1 LYS 39 15.675 -1.653 -14.187 292 1HG LYS 39 HG2 LYS 39 16.161 -3.889 -15.390 293 2HG LYS 39 HG1 LYS 39 17.620 -3.912 -14.399 294 1HD LYS 39 HD2 LYS 39 16.239 -3.700 -12.379 295 2HD LYS 39 HD1 LYS 39 14.786 -3.707 -13.381 296 1HE LYS 39 HE2 LYS 39 16.701 -5.952 -13.710 297 2HE LYS 39 HE1 LYS 39 15.739 -5.910 -12.234 298 1HZ LYS 39 HZ3 LYS 39 14.653 -5.844 -14.999 299 2HZ LYS 39 HZ2 LYS 39 14.656 -7.191 -13.976 300 3HZ LYS 39 HZ1 LYS 39 13.736 -5.829 -13.577 301 H THR 40 HN THR 40 16.089 0.898 -16.528 302 HA THR 40 HA THR 40 13.404 0.217 -17.062 303 HB THR 40 HB THR 40 15.046 2.565 -18.034 304 HG1 THR 40 HG1 THR 40 14.769 2.567 -15.810 305 1HG2 THR 40 1HG2 THR 40 12.083 2.109 -18.190 306 2HG2 THR 40 3HG2 THR 40 12.835 3.700 -18.300 307 3HG2 THR 40 2HG2 THR 40 13.199 2.468 -19.508 308 H TYR 41 HN TYR 41 16.095 0.879 -19.259 309 HA TYR 41 HA TYR 41 14.738 0.126 -21.629 310 1HB TYR 41 HB2 TYR 41 17.715 0.204 -21.088 311 2HB TYR 41 HB1 TYR 41 16.961 0.134 -22.677 312 HD1 TYR 41 HD1 TYR 41 17.932 2.263 -19.918 313 HD2 TYR 41 HD2 TYR 41 15.638 2.087 -23.495 314 HE1 TYR 41 HE1 TYR 41 17.841 4.719 -19.972 315 HE2 TYR 41 HE2 TYR 41 15.540 4.543 -23.561 316 HH TYR 41 HH TYR 41 15.809 6.453 -21.407 317 H LEU 42 HN LEU 42 16.832 -1.644 -19.391 318 HA LEU 42 HA LEU 42 17.172 -3.985 -20.886 319 1HB LEU 42 HB2 LEU 42 17.676 -3.097 -18.193 320 2HB LEU 42 HB1 LEU 42 17.077 -4.745 -18.182 321 HG LEU 42 HG LEU 42 18.882 -5.241 -19.929 322 1HD1 LEU 42 1HD1 LEU 42 19.631 -2.476 -19.081 323 2HD1 LEU 42 3HD1 LEU 42 20.881 -3.636 -19.530 324 3HD1 LEU 42 2HD1 LEU 42 19.630 -3.194 -20.691 325 1HD2 LEU 42 1HD2 LEU 42 19.434 -4.582 -17.054 326 2HD2 LEU 42 3HD2 LEU 42 19.168 -6.160 -17.795 327 3HD2 LEU 42 2HD2 LEU 42 20.668 -5.283 -18.101 328 HA PRO 43 HA PRO 43 13.147 -5.861 -20.455 329 1HB PRO 43 HB2 PRO 43 13.580 -8.011 -21.956 330 2HB PRO 43 HB1 PRO 43 13.616 -6.393 -22.668 331 1HG PRO 43 HG2 PRO 43 15.878 -8.199 -21.953 332 2HG PRO 43 HG1 PRO 43 15.721 -7.081 -23.317 333 1HD PRO 43 HD2 PRO 43 17.080 -6.595 -20.896 334 2HD PRO 43 HD1 PRO 43 16.667 -5.393 -22.134 335 H ALA 44 HN ALA 44 15.610 -6.621 -18.557 336 HA ALA 44 HA ALA 44 15.295 -9.344 -17.883 337 1HB ALA 44 HB1 ALA 44 16.309 -7.105 -16.137 338 2HB ALA 44 HB3 ALA 44 16.595 -8.832 -15.914 339 3HB ALA 44 HB2 ALA 44 17.276 -7.997 -17.311 340 H VAL 45 HN VAL 45 13.308 -6.652 -17.239 341 HA VAL 45 HA VAL 45 12.237 -6.922 -14.785 342 HB VAL 45 HB VAL 45 10.632 -6.456 -17.302 343 1HG1 VAL 45 3HG1 VAL 45 10.014 -6.042 -14.392 344 2HG1 VAL 45 2HG1 VAL 45 9.197 -5.121 -15.655 345 3HG1 VAL 45 1HG1 VAL 45 9.060 -6.878 -15.617 346 1HG2 VAL 45 3HG2 VAL 45 12.248 -4.639 -15.541 347 2HG2 VAL 45 2HG2 VAL 45 12.301 -4.814 -17.295 348 3HG2 VAL 45 1HG2 VAL 45 10.922 -4.026 -16.528 349 H ASP 46 HN ASP 46 11.061 -8.750 -17.621 350 HA ASP 46 HA ASP 46 9.193 -10.298 -16.188 351 1HB ASP 46 HB2 ASP 46 10.583 -10.833 -18.819 352 2HB ASP 46 HB1 ASP 46 9.248 -11.798 -18.194 353 H GLU 47 HN GLU 47 12.628 -10.749 -16.811 354 HA GLU 47 HA GLU 47 12.737 -13.491 -16.050 355 1HB GLU 47 HB2 GLU 47 14.529 -12.496 -17.354 356 2HB GLU 47 HB1 GLU 47 14.886 -11.363 -16.060 357 1HG GLU 47 HG2 GLU 47 16.478 -13.257 -16.233 358 2HG GLU 47 HG1 GLU 47 15.708 -13.101 -14.656 359 H LYS 48 HN LYS 48 13.298 -10.472 -14.260 360 HA LYS 48 HA LYS 48 14.137 -11.514 -11.832 361 1HB LYS 48 HB2 LYS 48 13.764 -9.033 -12.722 362 2HB LYS 48 HB1 LYS 48 12.284 -9.183 -11.786 363 1HG LYS 48 HG2 LYS 48 13.382 -9.235 -9.792 364 2HG LYS 48 HG1 LYS 48 14.831 -9.968 -10.482 365 1HD LYS 48 HD2 LYS 48 15.479 -7.871 -11.477 366 2HD LYS 48 HD1 LYS 48 13.964 -7.120 -10.970 367 1HE LYS 48 HE2 LYS 48 14.584 -7.384 -8.638 368 2HE LYS 48 HE1 LYS 48 16.065 -8.219 -9.105 369 1HZ LYS 48 HZ3 LYS 48 15.401 -5.402 -9.777 370 2HZ LYS 48 HZ2 LYS 48 16.465 -5.892 -8.558 371 3HZ LYS 48 HZ1 LYS 48 16.835 -6.206 -10.178 372 H LEU 49 HN LEU 49 10.918 -11.463 -13.193 373 HA LEU 49 HA LEU 49 9.440 -11.851 -10.824 374 1HB LEU 49 HB2 LEU 49 8.956 -12.054 -13.707 375 2HB LEU 49 HB1 LEU 49 8.011 -13.188 -12.766 376 HG LEU 49 HG LEU 49 6.770 -11.129 -13.193 377 1HD1 LEU 49 2HD1 LEU 49 6.428 -12.423 -11.097 378 2HD1 LEU 49 1HD1 LEU 49 7.530 -11.310 -10.284 379 3HD1 LEU 49 3HD1 LEU 49 6.014 -10.713 -10.962 380 1HD2 LEU 49 1HD2 LEU 49 8.727 -9.624 -13.325 381 2HD2 LEU 49 3HD2 LEU 49 7.458 -9.009 -12.267 382 3HD2 LEU 49 2HD2 LEU 49 8.904 -9.742 -11.574 383 H ARG 50 HN ARG 50 10.150 -14.286 -13.335 384 HA ARG 50 HA ARG 50 9.615 -16.503 -11.674 385 1HB ARG 50 HB2 ARG 50 10.708 -16.052 -14.367 386 2HB ARG 50 HB1 ARG 50 11.332 -17.492 -13.575 387 1HG ARG 50 HG2 ARG 50 9.405 -18.045 -14.919 388 2HG ARG 50 HG1 ARG 50 9.036 -18.275 -13.210 389 1HD ARG 50 HD2 ARG 50 8.409 -15.634 -14.405 390 2HD ARG 50 HD1 ARG 50 7.394 -16.997 -14.873 391 HE ARG 50 HE ARG 50 7.453 -17.173 -12.174 392 1HH1 ARG 50 1HH1 ARG 50 6.685 -14.555 -14.371 393 2HH1 ARG 50 2HH1 ARG 50 5.573 -13.804 -13.279 394 1HH2 ARG 50 1HH2 ARG 50 5.984 -16.180 -10.745 395 2HH2 ARG 50 2HH2 ARG 50 5.175 -14.725 -11.220 396 H ASP 51 HN ASP 51 12.487 -14.581 -12.241 397 HA ASP 51 HA ASP 51 14.469 -16.288 -11.283 398 1HB ASP 51 HB2 ASP 51 15.023 -14.191 -12.376 399 2HB ASP 51 HB1 ASP 51 14.272 -13.275 -11.074 400 H LEU 52 HN LEU 52 12.817 -13.716 -9.437 401 HA LEU 52 HA LEU 52 13.821 -14.569 -6.928 402 1HB LEU 52 HB2 LEU 52 11.412 -12.863 -7.572 403 2HB LEU 52 HB1 LEU 52 12.119 -13.045 -5.978 404 HG LEU 52 HG LEU 52 13.748 -11.999 -8.276 405 1HD1 LEU 52 2HD1 LEU 52 11.752 -10.606 -8.155 406 2HD1 LEU 52 1HD1 LEU 52 12.006 -10.378 -6.425 407 3HD1 LEU 52 3HD1 LEU 52 13.172 -9.731 -7.579 408 1HD2 LEU 52 1HD2 LEU 52 13.919 -11.660 -5.283 409 2HD2 LEU 52 3HD2 LEU 52 14.951 -12.687 -6.279 410 3HD2 LEU 52 2HD2 LEU 52 15.010 -10.934 -6.464 411 H TYR 53 HN TYR 53 11.129 -15.588 -8.865 412 HA TYR 53 HA TYR 53 9.526 -16.716 -6.818 413 1HB TYR 53 HB2 TYR 53 9.434 -16.494 -9.663 414 2HB TYR 53 HB1 TYR 53 9.192 -18.185 -9.241 415 HD1 TYR 53 HD1 TYR 53 7.982 -14.769 -8.352 416 HD2 TYR 53 HD2 TYR 53 7.070 -18.914 -8.642 417 HE1 TYR 53 HE1 TYR 53 5.635 -14.286 -7.799 418 HE2 TYR 53 HE2 TYR 53 4.721 -18.443 -8.092 419 HH TYR 53 HH TYR 53 3.584 -16.185 -6.659 420 H SER 54 HN SER 54 11.878 -18.179 -9.071 421 HA SER 54 HA SER 54 11.720 -20.796 -8.062 422 1HB SER 54 HB2 SER 54 13.940 -21.126 -9.162 423 2HB SER 54 HB1 SER 54 12.742 -20.378 -10.217 424 HG SER 54 HG SER 54 13.851 -18.560 -10.214 425 H LYS 55 HN LYS 55 13.841 -18.086 -7.192 426 HA LYS 55 HA LYS 55 15.475 -19.469 -5.365 427 1HB LYS 55 HB2 LYS 55 15.508 -16.971 -6.380 428 2HB LYS 55 HB1 LYS 55 14.838 -16.627 -4.791 429 1HG LYS 55 HG2 LYS 55 16.753 -17.561 -3.706 430 2HG LYS 55 HG1 LYS 55 17.393 -18.149 -5.242 431 1HD LYS 55 HD2 LYS 55 17.207 -15.584 -5.880 432 2HD LYS 55 HD1 LYS 55 17.336 -15.390 -4.131 433 1HE LYS 55 HE2 LYS 55 19.550 -15.323 -4.756 434 2HE LYS 55 HE1 LYS 55 19.348 -17.034 -4.383 435 1HZ LYS 55 HZ3 LYS 55 19.220 -15.837 -7.101 436 2HZ LYS 55 HZ2 LYS 55 20.530 -16.699 -6.468 437 3HZ LYS 55 HZ1 LYS 55 19.054 -17.481 -6.735 438 H SER 56 HN SER 56 12.537 -17.522 -4.850 439 HA SER 56 HA SER 56 12.375 -17.875 -2.067 440 1HB SER 56 HB2 SER 56 10.298 -17.205 -4.146 441 2HB SER 56 HB1 SER 56 9.920 -17.283 -2.426 442 HG SER 56 HG SER 56 11.457 -15.436 -3.835 443 H THR 57 HN THR 57 11.703 -20.157 -4.578 444 HA THR 57 HA THR 57 9.641 -21.647 -3.440 445 HB THR 57 HB THR 57 11.959 -22.743 -5.044 446 HG1 THR 57 HG1 THR 57 9.551 -21.514 -5.897 447 1HG2 THR 57 1HG2 THR 57 9.136 -23.720 -4.707 448 2HG2 THR 57 3HG2 THR 57 10.277 -24.331 -5.905 449 3HG2 THR 57 2HG2 THR 57 10.615 -24.529 -4.186 450 H ALA 58 HN ALA 58 13.167 -22.066 -3.083 451 HA ALA 58 HA ALA 58 12.769 -24.050 -0.995 452 1HB ALA 58 HB2 ALA 58 14.528 -24.417 -2.639 453 2HB ALA 58 HB1 ALA 58 15.315 -22.915 -2.149 454 3HB ALA 58 HB3 ALA 58 15.205 -24.265 -1.018 455 H ALA 59 HN ALA 59 14.126 -20.779 -1.313 456 HA ALA 59 HA ALA 59 14.993 -20.483 1.343 457 1HB ALA 59 HB3 ALA 59 14.986 -18.058 0.864 458 2HB ALA 59 HB1 ALA 59 14.150 -18.388 -0.654 459 3HB ALA 59 HB2 ALA 59 15.779 -19.009 -0.391 460 H MET 60 HN MET 60 12.061 -19.071 -0.151 461 HA MET 60 HA MET 60 10.944 -18.163 2.255 462 1HB MET 60 HB2 MET 60 10.341 -17.803 -0.351 463 2HB MET 60 HB1 MET 60 9.059 -18.916 0.106 464 1HG MET 60 HG2 MET 60 7.945 -17.334 1.190 465 2HG MET 60 HG1 MET 60 9.388 -16.796 2.048 466 1HE MET 60 HE2 MET 60 10.968 -14.990 1.316 467 2HE MET 60 HE1 MET 60 11.383 -15.775 -0.208 468 3HE MET 60 HE3 MET 60 10.888 -14.082 -0.195 469 H SER 61 HN SER 61 11.142 -21.376 1.067 470 HA SER 61 HA SER 61 8.748 -22.429 2.147 471 1HB SER 61 HB2 SER 61 10.273 -23.536 0.444 472 2HB SER 61 HB1 SER 61 11.320 -23.967 1.793 473 HG SER 61 HG SER 61 9.925 -25.432 2.417 474 H THR 62 HN THR 62 11.658 -21.407 3.660 475 HA THR 62 HA THR 62 11.089 -22.964 6.077 476 HB THR 62 HB THR 62 13.300 -22.095 6.866 477 HG1 THR 62 HG1 THR 62 13.952 -20.401 5.814 478 1HG2 THR 62 1HG2 THR 62 13.178 -24.268 5.724 479 2HG2 THR 62 3HG2 THR 62 13.478 -23.453 4.189 480 3HG2 THR 62 2HG2 THR 62 14.708 -23.434 5.453 481 H TYR 63 HN TYR 63 11.737 -19.610 5.066 482 HA TYR 63 HA TYR 63 11.092 -18.423 7.526 483 1HB TYR 63 HB2 TYR 63 12.407 -17.401 5.589 484 2HB TYR 63 HB1 TYR 63 10.848 -17.075 4.839 485 HD1 TYR 63 HD1 TYR 63 12.609 -16.548 8.098 486 HD2 TYR 63 HD2 TYR 63 9.871 -15.016 5.223 487 HE1 TYR 63 HE1 TYR 63 12.436 -14.459 9.383 488 HE2 TYR 63 HE2 TYR 63 9.690 -12.923 6.502 489 HH TYR 63 HH TYR 63 10.481 -12.557 9.556 490 H THR 64 HN THR 64 9.089 -19.774 5.062 491 HA THR 64 HA THR 64 6.830 -18.106 5.515 492 HB THR 64 HB THR 64 7.019 -19.429 3.452 493 HG1 THR 64 HG1 THR 64 4.952 -19.011 3.728 494 1HG2 THR 64 3HG2 THR 64 7.957 -21.494 4.667 495 2HG2 THR 64 2HG2 THR 64 6.266 -21.901 4.949 496 3HG2 THR 64 1HG2 THR 64 6.868 -21.730 3.301 497 H GLY 65 HN GLY 65 7.723 -21.318 6.725 498 1HA GLY 65 HA1 GLY 65 6.915 -22.505 8.531 499 2HA GLY 65 HA2 GLY 65 5.477 -21.487 8.489 500 H ILE 66 HN ILE 66 8.827 -20.439 8.746 501 HA ILE 66 HA ILE 66 8.909 -20.050 11.544 502 HB ILE 66 HB ILE 66 10.527 -18.798 9.322 503 1HG1 ILE 66 2HG1 ILE 66 10.779 -21.249 9.708 504 2HG1 ILE 66 1HG1 ILE 66 12.259 -20.344 10.005 505 1HG2 ILE 66 3HG2 ILE 66 10.696 -18.415 12.289 506 2HG2 ILE 66 2HG2 ILE 66 12.128 -18.266 11.270 507 3HG2 ILE 66 1HG2 ILE 66 10.743 -17.208 11.004 508 1HD1 ILE 66 2HD1 ILE 66 10.578 -20.739 12.370 509 2HD1 ILE 66 1HD1 ILE 66 11.229 -22.217 11.661 510 3HD1 ILE 66 3HD1 ILE 66 12.319 -20.925 12.163 511 H PHE 67 HN PHE 67 8.617 -17.634 8.929 512 HA PHE 67 HA PHE 67 8.119 -15.393 10.469 513 1HB PHE 67 HB2 PHE 67 8.495 -15.276 8.054 514 2HB PHE 67 HB1 PHE 67 6.939 -16.045 7.759 515 HD1 PHE 67 HD1 PHE 67 4.999 -14.768 7.573 516 HD2 PHE 67 HD2 PHE 67 8.510 -13.020 9.223 517 HE1 PHE 67 HE1 PHE 67 3.914 -12.560 7.535 518 HE2 PHE 67 HE2 PHE 67 7.432 -10.810 9.188 519 HZ PHE 67 HZ PHE 67 5.130 -10.578 8.344 520 H THR 68 HN THR 68 5.651 -17.491 8.979 521 HA THR 68 HA THR 68 3.460 -16.250 10.233 522 HB THR 68 HB THR 68 3.620 -19.076 9.181 523 HG1 THR 68 HG1 THR 68 3.985 -18.030 7.388 524 1HG2 THR 68 1HG2 THR 68 1.297 -17.260 9.726 525 2HG2 THR 68 3HG2 THR 68 1.198 -18.626 8.614 526 3HG2 THR 68 2HG2 THR 68 1.574 -18.899 10.315 527 H ASP 69 HN ASP 69 5.747 -18.528 11.409 528 HA ASP 69 HA ASP 69 4.243 -19.876 13.345 529 1HB ASP 69 HB2 ASP 69 6.927 -19.805 12.633 530 2HB ASP 69 HB1 ASP 69 6.923 -19.205 14.287 531 H GLN 70 HN GLN 70 6.234 -16.945 13.773 532 HA GLN 70 HA GLN 70 5.281 -16.429 16.403 533 1HB GLN 70 HB2 GLN 70 6.733 -14.678 14.417 534 2HB GLN 70 HB1 GLN 70 6.364 -14.182 16.063 535 1HG GLN 70 HG2 GLN 70 8.479 -14.933 16.369 536 2HG GLN 70 HG1 GLN 70 7.604 -16.437 16.647 537 1HE2 GLN 70 1HE2 GLN 70 9.199 -14.569 14.090 538 2HE2 GLN 70 2HE2 GLN 70 9.782 -15.940 13.214 539 H VAL 71 HN VAL 71 4.133 -15.603 13.234 540 HA VAL 71 HA VAL 71 2.486 -13.400 13.954 541 HB VAL 71 HB VAL 71 2.256 -15.308 11.611 542 1HG1 VAL 71 2HG1 VAL 71 0.800 -12.750 12.235 543 2HG1 VAL 71 1HG1 VAL 71 0.922 -13.405 10.602 544 3HG1 VAL 71 3HG1 VAL 71 0.119 -14.336 11.867 545 1HG2 VAL 71 2HG2 VAL 71 4.286 -13.629 12.026 546 2HG2 VAL 71 1HG2 VAL 71 3.638 -13.954 10.419 547 3HG2 VAL 71 3HG2 VAL 71 3.149 -12.500 11.290 548 H LEU 72 HN LEU 72 1.798 -16.813 13.293 549 HA LEU 72 HA LEU 72 -0.896 -16.832 14.047 550 1HB LEU 72 HB2 LEU 72 0.624 -18.662 12.917 551 2HB LEU 72 HB1 LEU 72 0.870 -19.193 14.569 552 HG LEU 72 HG LEU 72 -1.695 -19.271 14.733 553 1HD1 LEU 72 1HD1 LEU 72 -1.371 -19.230 11.736 554 2HD1 LEU 72 3HD1 LEU 72 -2.848 -19.648 12.605 555 3HD1 LEU 72 2HD1 LEU 72 -2.192 -18.015 12.716 556 1HD2 LEU 72 3HD2 LEU 72 -0.223 -21.199 12.940 557 2HD2 LEU 72 2HD2 LEU 72 -0.289 -21.257 14.702 558 3HD2 LEU 72 1HD2 LEU 72 -1.755 -21.517 13.756 559 H SER 73 HN SER 73 2.091 -17.081 15.880 560 HA SER 73 HA SER 73 1.034 -17.902 18.341 561 1HB SER 73 HB2 SER 73 3.516 -17.604 17.610 562 2HB SER 73 HB1 SER 73 3.313 -15.948 18.181 563 HG SER 73 HG SER 73 4.091 -17.250 19.850 564 H VAL 74 HN VAL 74 1.278 -14.713 16.886 565 HA VAL 74 HA VAL 74 0.360 -13.292 19.192 566 HB VAL 74 HB VAL 74 0.251 -12.398 16.303 567 1HG1 VAL 74 1HG1 VAL 74 -0.037 -10.978 18.927 568 2HG1 VAL 74 3HG1 VAL 74 0.513 -10.123 17.485 569 3HG1 VAL 74 2HG1 VAL 74 -1.070 -10.902 17.499 570 1HG2 VAL 74 1HG2 VAL 74 2.506 -12.807 18.079 571 2HG2 VAL 74 3HG2 VAL 74 2.479 -12.436 16.355 572 3HG2 VAL 74 2HG2 VAL 74 2.389 -11.132 17.538 573 H LEU 75 HN LEU 75 -1.199 -15.203 16.803 574 HA LEU 75 HA LEU 75 -3.731 -13.947 16.727 575 1HB LEU 75 HB2 LEU 75 -2.675 -15.897 15.283 576 2HB LEU 75 HB1 LEU 75 -3.489 -16.907 16.463 577 HG LEU 75 HG LEU 75 -5.134 -14.782 15.221 578 1HD1 LEU 75 3HD1 LEU 75 -3.817 -15.577 13.311 579 2HD1 LEU 75 2HD1 LEU 75 -4.295 -17.234 13.681 580 3HD1 LEU 75 1HD1 LEU 75 -5.511 -16.054 13.189 581 1HD2 LEU 75 1HD2 LEU 75 -5.538 -17.685 15.924 582 2HD2 LEU 75 3HD2 LEU 75 -6.146 -16.278 16.796 583 3HD2 LEU 75 2HD2 LEU 75 -6.771 -16.659 15.190 584 H LYS 76 HN LYS 76 -2.273 -16.302 18.844 585 HA LYS 76 HA LYS 76 -4.639 -16.940 20.303 586 1HB LYS 76 HB2 LYS 76 -2.381 -18.239 20.129 587 2HB LYS 76 HB1 LYS 76 -1.882 -17.202 21.459 588 1HG LYS 76 HG2 LYS 76 -3.688 -18.029 22.833 589 2HG LYS 76 HG1 LYS 76 -4.301 -18.996 21.489 590 1HD LYS 76 HD2 LYS 76 -2.228 -20.295 21.477 591 2HD LYS 76 HD1 LYS 76 -1.609 -19.324 22.815 592 1HE LYS 76 HE2 LYS 76 -3.414 -20.110 24.243 593 2HE LYS 76 HE1 LYS 76 -4.094 -21.033 22.904 594 1HZ LYS 76 HZ1 LYS 76 -1.428 -21.489 24.135 595 2HZ LYS 76 HZ3 LYS 76 -2.806 -22.435 24.393 596 3HZ LYS 76 HZ2 LYS 76 -2.091 -22.381 22.861 597 H GLY 77 HN GLY 77 -1.920 -14.715 20.870 598 1HA GLY 77 HA1 GLY 77 -1.618 -13.305 22.748 599 2HA GLY 77 HA2 GLY 77 -3.260 -13.667 23.258 600 H GLU 78 HN GLU 78 -4.758 -13.056 21.072 601 HA GLU 78 HA GLU 78 -4.917 -10.238 21.193 602 1HB GLU 78 HB2 GLU 78 -3.006 -10.269 19.695 603 2HB GLU 78 HB1 GLU 78 -3.824 -11.395 18.621 604 1HG GLU 78 HG2 GLU 78 -5.212 -8.845 19.144 605 2HG GLU 78 HG1 GLU 78 -3.724 -8.755 18.205 606 H GLU 79 HN GLU 79 -5.556 -12.780 18.757 607 HA GLU 79 HA GLU 79 -8.270 -11.816 18.416 608 1HB GLU 79 HB2 GLU 79 -6.813 -12.595 16.510 609 2HB GLU 79 HB1 GLU 79 -6.978 -14.229 17.135 610 1HG GLU 79 HG2 GLU 79 -9.388 -12.581 16.481 611 2HG GLU 79 HG1 GLU 79 -8.519 -13.464 15.227 No H/Q in entry = 611 Start of MODEL 55 1 H1 THR 1 HT1 THR 1 28.768 -24.336 30.163 2 H2 THR 1 HT3 THR 1 29.896 -25.594 30.454 3 H3 THR 1 HT2 THR 1 30.428 -23.964 30.392 4 HA THR 1 HA THR 1 31.009 -25.080 28.403 5 HB THR 1 HB THR 1 29.031 -25.789 26.918 6 HG1 THR 1 HG1 THR 1 27.682 -26.050 29.388 7 1HG2 THR 1 3HG2 THR 1 30.536 -27.421 27.981 8 2HG2 THR 1 2HG2 THR 1 29.478 -27.439 29.392 9 3HG2 THR 1 1HG2 THR 1 28.877 -28.000 27.832 10 H GLN 2 HN GLN 2 31.686 -23.263 27.462 11 HA GLN 2 HA GLN 2 29.890 -21.019 27.068 12 1HB GLN 2 HB2 GLN 2 32.351 -20.880 27.816 13 2HB GLN 2 HB1 GLN 2 32.747 -21.168 26.127 14 1HG GLN 2 HG2 GLN 2 30.865 -18.969 26.853 15 2HG GLN 2 HG1 GLN 2 32.602 -18.743 27.047 16 1HE2 GLN 2 1HE2 GLN 2 30.026 -18.496 24.940 17 2HE2 GLN 2 2HE2 GLN 2 30.906 -18.344 23.461 18 H GLN 3 HN GLN 3 28.633 -20.909 25.334 19 HA GLN 3 HA GLN 3 29.602 -22.078 22.808 20 1HB GLN 3 HB2 GLN 3 26.722 -21.630 23.613 21 2HB GLN 3 HB1 GLN 3 27.299 -22.468 22.180 22 1HG GLN 3 HG2 GLN 3 27.641 -23.371 25.033 23 2HG GLN 3 HG1 GLN 3 26.521 -24.040 23.847 24 1HE2 GLN 3 1HE2 GLN 3 29.427 -24.497 25.308 25 2HE2 GLN 3 2HE2 GLN 3 30.189 -25.507 24.132 26 HA PRO 4 HA PRO 4 29.575 -17.762 21.560 27 1HB PRO 4 HB2 PRO 4 30.653 -18.145 19.106 28 2HB PRO 4 HB1 PRO 4 31.617 -18.183 20.587 29 1HG PRO 4 HG2 PRO 4 30.529 -20.458 18.975 30 2HG PRO 4 HG1 PRO 4 32.129 -20.277 19.715 31 1HD PRO 4 HD2 PRO 4 30.141 -21.756 20.832 32 2HD PRO 4 HD1 PRO 4 31.380 -20.923 21.790 33 H GLN 5 HN GLN 5 27.194 -17.896 21.562 34 HA GLN 5 HA GLN 5 25.784 -18.757 19.232 35 1HB GLN 5 HB2 GLN 5 23.819 -17.820 20.287 36 2HB GLN 5 HB1 GLN 5 24.764 -18.688 21.487 37 1HG GLN 5 HG2 GLN 5 25.196 -16.837 22.686 38 2HG GLN 5 HG1 GLN 5 25.352 -15.814 21.258 39 1HE2 GLN 5 1HE2 GLN 5 23.320 -15.229 20.157 40 2HE2 GLN 5 2HE2 GLN 5 21.913 -14.968 21.121 41 H GLN 6 HN GLN 6 24.050 -16.925 18.438 42 HA GLN 6 HA GLN 6 25.568 -15.206 16.769 43 1HB GLN 6 HB2 GLN 6 23.445 -14.443 15.905 44 2HB GLN 6 HB1 GLN 6 23.376 -16.183 16.136 45 1HG GLN 6 HG2 GLN 6 21.828 -16.047 17.789 46 2HG GLN 6 HG1 GLN 6 22.410 -14.484 18.361 47 1HE2 GLN 6 1HE2 GLN 6 21.922 -12.607 16.996 48 2HE2 GLN 6 2HE2 GLN 6 20.432 -12.587 16.121 49 H ASP 7 HN ASP 7 24.466 -12.791 16.598 50 HA ASP 7 HA ASP 7 25.556 -11.403 18.834 51 1HB ASP 7 HB2 ASP 7 25.682 -10.457 16.586 52 2HB ASP 7 HB1 ASP 7 23.924 -10.381 16.498 53 H GLU 8 HN GLU 8 24.577 -11.238 20.739 54 HA GLU 8 HA GLU 8 21.783 -11.630 21.117 55 1HB GLU 8 HB2 GLU 8 24.046 -10.787 22.905 56 2HB GLU 8 HB1 GLU 8 22.387 -10.732 23.481 57 1HG GLU 8 HG2 GLU 8 23.483 -13.230 22.264 58 2HG GLU 8 HG1 GLU 8 23.827 -12.822 23.944 59 H MET 9 HN MET 9 20.523 -9.972 22.510 60 HA MET 9 HA MET 9 20.170 -7.632 20.939 61 1HB MET 9 HB2 MET 9 18.978 -8.623 23.513 62 2HB MET 9 HB1 MET 9 18.625 -7.001 22.934 63 1HG MET 9 HG2 MET 9 17.371 -7.740 21.189 64 2HG MET 9 HG1 MET 9 18.272 -9.246 21.032 65 1HE MET 9 HE2 MET 9 15.722 -9.942 20.476 66 2HE MET 9 HE1 MET 9 16.589 -11.301 21.191 67 3HE MET 9 HE3 MET 9 14.948 -10.927 21.716 68 HA PRO 10 HA PRO 10 23.155 -5.034 22.975 69 1HB PRO 10 HB2 PRO 10 22.441 -2.675 21.867 70 2HB PRO 10 HB1 PRO 10 23.279 -3.933 20.952 71 1HG PRO 10 HG2 PRO 10 20.362 -3.256 21.009 72 2HG PRO 10 HG1 PRO 10 21.395 -3.637 19.618 73 1HD PRO 10 HD2 PRO 10 19.726 -5.451 20.766 74 2HD PRO 10 HD1 PRO 10 21.246 -5.904 19.970 75 H SER 11 HN SER 11 23.011 -2.645 23.975 76 HA SER 11 HA SER 11 21.262 -2.877 26.222 77 1HB SER 11 HB2 SER 11 23.399 -0.987 25.364 78 2HB SER 11 HB1 SER 11 22.232 -0.405 26.551 79 HG SER 11 HG SER 11 23.012 -1.752 27.997 80 HA PRO 12 HA PRO 12 19.039 0.977 24.364 81 1HB PRO 12 HB2 PRO 12 19.638 1.749 21.841 82 2HB PRO 12 HB1 PRO 12 20.528 2.338 23.249 83 1HG PRO 12 HG2 PRO 12 21.256 0.167 21.321 84 2HG PRO 12 HG1 PRO 12 22.278 1.447 22.005 85 1HD PRO 12 HD2 PRO 12 22.278 -1.098 22.945 86 2HD PRO 12 HD1 PRO 12 22.602 0.307 23.976 87 H THR 13 HN THR 13 17.315 1.297 22.649 88 HA THR 13 HA THR 13 16.112 -1.221 22.056 89 HB THR 13 HB THR 13 15.192 1.413 20.925 90 HG1 THR 13 HG1 THR 13 14.842 0.466 23.576 91 1HG2 THR 13 2HG2 THR 13 13.997 -0.739 20.369 92 2HG2 THR 13 1HG2 THR 13 13.532 -0.806 22.069 93 3HG2 THR 13 3HG2 THR 13 13.015 0.549 21.067 94 H PHE 14 HN PHE 14 15.749 -2.216 20.088 95 HA PHE 14 HA PHE 14 17.746 -1.973 18.121 96 1HB PHE 14 HB2 PHE 14 15.393 -3.634 18.571 97 2HB PHE 14 HB1 PHE 14 15.644 -3.285 16.864 98 HD1 PHE 14 HD1 PHE 14 18.004 -3.709 15.926 99 HD2 PHE 14 HD2 PHE 14 16.593 -5.329 19.600 100 HE1 PHE 14 HE1 PHE 14 19.741 -5.449 15.822 101 HE2 PHE 14 HE2 PHE 14 18.328 -7.071 19.502 102 HZ PHE 14 HZ PHE 14 19.905 -7.132 17.612 103 H LEU 15 HN LEU 15 14.587 -0.494 18.427 104 HA LEU 15 HA LEU 15 14.222 0.330 15.762 105 1HB LEU 15 HB2 LEU 15 12.669 0.423 17.920 106 2HB LEU 15 HB1 LEU 15 13.277 2.066 17.990 107 HG LEU 15 HG LEU 15 12.221 1.176 15.370 108 1HD1 LEU 15 1HD1 LEU 15 10.598 0.185 16.899 109 2HD1 LEU 15 3HD1 LEU 15 10.407 1.739 17.711 110 3HD1 LEU 15 2HD1 LEU 15 9.906 1.555 16.030 111 1HD2 LEU 15 1HD2 LEU 15 12.020 3.683 17.031 112 2HD2 LEU 15 3HD2 LEU 15 13.027 3.421 15.606 113 3HD2 LEU 15 2HD2 LEU 15 11.271 3.475 15.448 114 H THR 16 HN THR 16 16.038 1.727 18.438 115 HA THR 16 HA THR 16 16.518 4.279 17.408 116 HB THR 16 HB THR 16 18.576 2.733 18.976 117 HG1 THR 16 HG1 THR 16 17.167 2.490 20.490 118 1HG2 THR 16 1HG2 THR 16 17.738 5.621 18.987 119 2HG2 THR 16 3HG2 THR 16 18.863 4.895 20.136 120 3HG2 THR 16 2HG2 THR 16 19.270 4.954 18.421 121 H GLN 17 HN GLN 17 18.241 1.225 16.872 122 HA GLN 17 HA GLN 17 20.383 2.258 15.370 123 1HB GLN 17 HB2 GLN 17 20.079 -0.097 16.376 124 2HB GLN 17 HB1 GLN 17 19.194 -0.468 14.902 125 1HG GLN 17 HG2 GLN 17 21.954 0.685 14.790 126 2HG GLN 17 HG1 GLN 17 21.697 -1.042 15.034 127 1HE2 GLN 17 1HE2 GLN 17 20.083 -2.007 13.412 128 2HE2 GLN 17 2HE2 GLN 17 20.305 -1.538 11.765 129 H VAL 18 HN VAL 18 17.241 0.948 14.361 130 HA VAL 18 HA VAL 18 17.203 0.753 11.734 131 HB VAL 18 HB VAL 18 15.187 2.412 13.252 132 1HG1 VAL 18 3HG1 VAL 18 15.117 1.211 10.497 133 2HG1 VAL 18 2HG1 VAL 18 13.650 1.605 11.392 134 3HG1 VAL 18 1HG1 VAL 18 14.798 2.878 10.978 135 1HG2 VAL 18 2HG2 VAL 18 15.326 -0.534 12.624 136 2HG2 VAL 18 1HG2 VAL 18 15.381 0.225 14.215 137 3HG2 VAL 18 3HG2 VAL 18 13.898 0.278 13.264 138 H LYS 19 HN LYS 19 17.105 3.980 13.271 139 HA LYS 19 HA LYS 19 16.951 5.551 11.011 140 1HB LYS 19 HB2 LYS 19 18.418 6.078 13.596 141 2HB LYS 19 HB1 LYS 19 18.151 7.302 12.362 142 1HG LYS 19 HG2 LYS 19 16.077 7.684 13.061 143 2HG LYS 19 HG1 LYS 19 15.691 5.962 13.094 144 1HD LYS 19 HD2 LYS 19 17.056 5.901 15.268 145 2HD LYS 19 HD1 LYS 19 16.910 7.659 15.251 146 1HE LYS 19 HE2 LYS 19 14.434 7.374 15.103 147 2HE LYS 19 HE1 LYS 19 14.672 5.641 15.325 148 1HZ LYS 19 HZ2 LYS 19 15.478 7.755 17.251 149 2HZ LYS 19 HZ1 LYS 19 14.137 6.738 17.409 150 3HZ LYS 19 HZ3 LYS 19 15.699 6.092 17.465 151 H GLU 20 HN GLU 20 19.964 4.585 12.664 152 HA GLU 20 HA GLU 20 21.690 5.625 10.689 153 1HB GLU 20 HB2 GLU 20 22.570 5.207 12.873 154 2HB GLU 20 HB1 GLU 20 22.076 3.523 12.818 155 1HG GLU 20 HG2 GLU 20 23.929 4.336 10.691 156 2HG GLU 20 HG1 GLU 20 24.581 4.416 12.327 157 H SER 21 HN SER 21 19.973 2.622 11.000 158 HA SER 21 HA SER 21 21.418 1.061 9.150 159 1HB SER 21 HB2 SER 21 19.313 0.585 10.825 160 2HB SER 21 HB1 SER 21 18.509 0.583 9.256 161 HG SER 21 HG SER 21 19.501 -1.213 8.744 162 H LEU 22 HN LEU 22 18.760 3.354 8.760 163 HA LEU 22 HA LEU 22 18.312 2.815 5.999 164 1HB LEU 22 HB2 LEU 22 16.744 3.953 7.690 165 2HB LEU 22 HB1 LEU 22 17.671 5.408 7.381 166 HG LEU 22 HG LEU 22 16.642 4.025 4.981 167 1HD1 LEU 22 2HD1 LEU 22 14.754 3.740 6.499 168 2HD1 LEU 22 1HD1 LEU 22 14.791 5.462 6.879 169 3HD1 LEU 22 3HD1 LEU 22 14.390 4.928 5.246 170 1HD2 LEU 22 3HD2 LEU 22 16.720 6.893 5.912 171 2HD2 LEU 22 2HD2 LEU 22 17.839 6.116 4.791 172 3HD2 LEU 22 1HD2 LEU 22 16.153 6.355 4.331 173 H SER 23 HN SER 23 20.269 5.177 7.775 174 HA SER 23 HA SER 23 21.060 6.763 5.607 175 1HB SER 23 HB2 SER 23 21.441 7.359 7.995 176 2HB SER 23 HB1 SER 23 22.687 6.114 8.079 177 HG SER 23 HG SER 23 24.002 7.321 6.896 178 H SER 24 HN SER 24 22.632 3.917 7.046 179 HA SER 24 HA SER 24 24.796 3.811 5.236 180 1HB SER 24 HB2 SER 24 23.529 1.563 6.823 181 2HB SER 24 HB1 SER 24 25.117 1.511 6.057 182 HG SER 24 HG SER 24 24.302 2.780 8.380 183 H TYR 25 HN TYR 25 21.477 2.957 4.901 184 HA TYR 25 HA TYR 25 21.878 1.085 2.739 185 1HB TYR 25 HB2 TYR 25 19.942 0.861 4.247 186 2HB TYR 25 HB1 TYR 25 19.347 2.431 3.718 187 HD1 TYR 25 HD1 TYR 25 18.188 2.677 1.637 188 HD2 TYR 25 HD2 TYR 25 19.915 -1.065 2.693 189 HE1 TYR 25 HE1 TYR 25 16.952 1.596 -0.192 190 HE2 TYR 25 HE2 TYR 25 18.684 -2.156 0.866 191 HH TYR 25 HH TYR 25 17.581 -0.932 -1.599 192 H TRP 26 HN TRP 26 20.869 4.465 3.110 193 HA TRP 26 HA TRP 26 20.266 4.957 0.402 194 1HB TRP 26 HB2 TRP 26 19.492 6.471 2.122 195 2HB TRP 26 HB1 TRP 26 21.145 6.841 2.598 196 HD1 TRP 26 HD1 TRP 26 21.787 9.177 1.811 197 HE1 TRP 26 HE1 TRP 26 21.335 10.628 -0.265 198 HE3 TRP 26 HE3 TRP 26 18.768 5.967 -0.781 199 HZ2 TRP 26 HZ2 TRP 26 19.889 10.436 -2.682 200 HZ3 TRP 26 HZ3 TRP 26 17.893 6.677 -2.967 201 HH2 TRP 26 HH2 TRP 26 18.442 8.866 -3.897 202 H GLU 27 HN GLU 27 23.263 5.131 2.231 203 HA GLU 27 HA GLU 27 24.990 6.518 0.679 204 1HB GLU 27 HB2 GLU 27 25.249 4.165 2.438 205 2HB GLU 27 HB1 GLU 27 26.561 4.374 1.288 206 1HG GLU 27 HG2 GLU 27 27.433 6.058 2.439 207 2HG GLU 27 HG1 GLU 27 25.872 6.860 2.603 208 H SER 28 HN SER 28 24.397 3.031 0.267 209 HA SER 28 HA SER 28 25.557 3.105 -2.398 210 1HB SER 28 HB2 SER 28 25.900 1.238 -0.635 211 2HB SER 28 HB1 SER 28 24.303 0.681 -1.132 212 HG SER 28 HG SER 28 25.077 0.108 -3.044 213 H ALA 29 HN ALA 29 22.471 3.489 -1.012 214 HA ALA 29 HA ALA 29 20.814 2.208 -2.886 215 1HB ALA 29 HB3 ALA 29 19.969 3.072 -0.772 216 2HB ALA 29 HB2 ALA 29 20.259 4.722 -1.322 217 3HB ALA 29 HB1 ALA 29 19.053 3.723 -2.131 218 H LYS 30 HN LYS 30 22.580 5.227 -3.089 219 HA LYS 30 HA LYS 30 21.198 6.545 -5.091 220 1HB LYS 30 HB2 LYS 30 23.225 7.363 -3.797 221 2HB LYS 30 HB1 LYS 30 24.210 6.453 -4.934 222 1HG LYS 30 HG2 LYS 30 22.250 8.290 -6.137 223 2HG LYS 30 HG1 LYS 30 23.563 9.048 -5.233 224 1HD LYS 30 HD2 LYS 30 25.142 8.405 -6.727 225 2HD LYS 30 HD1 LYS 30 24.333 6.877 -7.085 226 1HE LYS 30 HE2 LYS 30 22.834 7.903 -8.583 227 2HE LYS 30 HE1 LYS 30 23.236 9.519 -8.004 228 1HZ LYS 30 HZ3 LYS 30 25.456 9.249 -8.950 229 2HZ LYS 30 HZ2 LYS 30 25.038 7.718 -9.533 230 3HZ LYS 30 HZ1 LYS 30 24.260 9.093 -10.136 231 H THR 31 HN THR 31 23.760 4.108 -5.487 232 HA THR 31 HA THR 31 23.985 4.036 -8.229 233 HB THR 31 HB THR 31 23.932 1.540 -6.527 234 HG1 THR 31 HG1 THR 31 26.001 3.466 -6.768 235 1HG2 THR 31 3HG2 THR 31 25.549 2.296 -8.948 236 2HG2 THR 31 2HG2 THR 31 25.785 0.837 -7.984 237 3HG2 THR 31 1HG2 THR 31 24.273 1.081 -8.860 238 H ALA 32 HN ALA 32 21.514 2.641 -6.153 239 HA ALA 32 HA ALA 32 20.162 1.121 -8.109 240 1HB ALA 32 HB1 ALA 32 18.678 2.418 -5.863 241 2HB ALA 32 HB3 ALA 32 18.506 0.797 -6.535 242 3HB ALA 32 HB2 ALA 32 19.888 1.186 -5.511 243 H ALA 33 HN ALA 33 19.797 4.498 -7.039 244 HA ALA 33 HA ALA 33 17.530 5.233 -8.428 245 1HB ALA 33 HB1 ALA 33 18.926 6.651 -6.847 246 2HB ALA 33 HB3 ALA 33 19.933 7.026 -8.245 247 3HB ALA 33 HB2 ALA 33 18.228 7.476 -8.241 248 H GLN 34 HN GLN 34 20.871 5.441 -9.649 249 HA GLN 34 HA GLN 34 20.116 6.170 -12.276 250 1HB GLN 34 HB2 GLN 34 22.633 4.875 -11.209 251 2HB GLN 34 HB1 GLN 34 22.444 5.399 -12.877 252 1HG GLN 34 HG2 GLN 34 21.723 7.619 -11.390 253 2HG GLN 34 HG1 GLN 34 23.088 6.933 -10.512 254 1HE2 GLN 34 1HE2 GLN 34 25.094 6.692 -11.608 255 2HE2 GLN 34 2HE2 GLN 34 25.468 7.665 -12.986 256 H ASN 35 HN ASN 35 20.632 3.093 -10.653 257 HA ASN 35 HA ASN 35 20.537 1.428 -12.924 258 1HB ASN 35 HB2 ASN 35 21.191 0.851 -10.477 259 2HB ASN 35 HB1 ASN 35 19.470 0.563 -10.251 260 1HD2 ASN 35 1HD2 ASN 35 18.477 -1.148 -11.357 261 2HD2 ASN 35 2HD2 ASN 35 19.400 -2.442 -12.035 262 H LEU 36 HN LEU 36 18.047 3.042 -11.142 263 HA LEU 36 HA LEU 36 15.801 1.542 -11.853 264 1HB LEU 36 HB2 LEU 36 16.036 3.621 -10.285 265 2HB LEU 36 HB1 LEU 36 15.747 4.545 -11.747 266 HG LEU 36 HG LEU 36 13.805 2.387 -11.177 267 1HD1 LEU 36 2HD1 LEU 36 14.215 3.323 -8.938 268 2HD1 LEU 36 1HD1 LEU 36 13.841 4.930 -9.559 269 3HD1 LEU 36 3HD1 LEU 36 12.593 3.683 -9.532 270 1HD2 LEU 36 2HD2 LEU 36 13.570 5.260 -12.067 271 2HD2 LEU 36 1HD2 LEU 36 13.553 3.835 -13.108 272 3HD2 LEU 36 3HD2 LEU 36 12.239 4.108 -11.964 273 H TYR 37 HN TYR 37 17.449 4.234 -13.408 274 HA TYR 37 HA TYR 37 15.844 4.342 -15.741 275 1HB TYR 37 HB2 TYR 37 18.503 5.408 -14.921 276 2HB TYR 37 HB1 TYR 37 18.167 5.327 -16.648 277 HD1 TYR 37 HD1 TYR 37 17.376 6.991 -13.506 278 HD2 TYR 37 HD2 TYR 37 16.344 6.663 -17.622 279 HE1 TYR 37 HE1 TYR 37 16.123 9.100 -13.355 280 HE2 TYR 37 HE2 TYR 37 15.091 8.774 -17.481 281 HH TYR 37 HH TYR 37 15.386 10.969 -15.626 282 H GLU 38 HN GLU 38 18.734 2.554 -14.827 283 HA GLU 38 HA GLU 38 19.447 1.495 -17.310 284 1HB GLU 38 HB2 GLU 38 20.897 1.353 -15.350 285 2HB GLU 38 HB1 GLU 38 19.768 0.249 -14.577 286 1HG GLU 38 HG2 GLU 38 20.853 -0.510 -17.232 287 2HG GLU 38 HG1 GLU 38 21.927 -0.597 -15.838 288 H LYS 39 HN LYS 39 17.591 -0.187 -14.774 289 HA LYS 39 HA LYS 39 16.912 -2.406 -16.332 290 1HB LYS 39 HB2 LYS 39 15.238 -2.899 -14.620 291 2HB LYS 39 HB1 LYS 39 16.762 -2.411 -13.898 292 1HG LYS 39 HG2 LYS 39 15.583 -1.000 -12.657 293 2HG LYS 39 HG1 LYS 39 15.364 -0.042 -14.120 294 1HD LYS 39 HD2 LYS 39 13.487 -2.242 -14.006 295 2HD LYS 39 HD1 LYS 39 13.368 -1.217 -12.575 296 1HE LYS 39 HE2 LYS 39 12.338 0.380 -13.729 297 2HE LYS 39 HE1 LYS 39 13.613 0.395 -14.945 298 1HZ LYS 39 HZ2 LYS 39 12.513 -1.507 -16.015 299 2HZ LYS 39 HZ1 LYS 39 11.256 -1.412 -14.887 300 3HZ LYS 39 HZ3 LYS 39 11.522 -0.137 -15.967 301 H THR 40 HN THR 40 15.802 0.765 -16.724 302 HA THR 40 HA THR 40 13.119 0.146 -17.535 303 HB THR 40 HB THR 40 14.795 2.603 -18.087 304 HG1 THR 40 HG1 THR 40 14.494 2.607 -15.954 305 1HG2 THR 40 1HG2 THR 40 11.844 2.136 -18.392 306 2HG2 THR 40 3HG2 THR 40 12.581 3.735 -18.309 307 3HG2 THR 40 2HG2 THR 40 12.996 2.641 -19.629 308 H TYR 41 HN TYR 41 16.181 0.707 -19.178 309 HA TYR 41 HA TYR 41 15.195 0.566 -21.825 310 1HB TYR 41 HB2 TYR 41 17.993 -0.222 -21.031 311 2HB TYR 41 HB1 TYR 41 17.450 0.516 -22.533 312 HD1 TYR 41 HD1 TYR 41 16.057 2.861 -21.914 313 HD2 TYR 41 HD2 TYR 41 19.326 1.169 -19.781 314 HE1 TYR 41 HE1 TYR 41 16.617 5.082 -21.020 315 HE2 TYR 41 HE2 TYR 41 19.894 3.384 -18.880 316 HH TYR 41 HH TYR 41 18.014 5.824 -18.669 317 H LEU 42 HN LEU 42 16.795 -1.896 -19.792 318 HA LEU 42 HA LEU 42 16.333 -3.957 -21.767 319 1HB LEU 42 HB2 LEU 42 17.558 -3.971 -19.017 320 2HB LEU 42 HB1 LEU 42 17.320 -5.437 -19.949 321 HG LEU 42 HG LEU 42 18.656 -3.884 -21.750 322 1HD1 LEU 42 1HD1 LEU 42 18.954 -2.144 -19.984 323 2HD1 LEU 42 3HD1 LEU 42 19.919 -3.310 -19.077 324 3HD1 LEU 42 2HD1 LEU 42 20.460 -2.762 -20.663 325 1HD2 LEU 42 2HD2 LEU 42 19.117 -6.220 -21.189 326 2HD2 LEU 42 1HD2 LEU 42 20.596 -5.259 -21.217 327 3HD2 LEU 42 3HD2 LEU 42 19.865 -5.709 -19.676 328 HA PRO 43 HA PRO 43 12.576 -5.474 -19.938 329 1HB PRO 43 HB2 PRO 43 12.292 -7.716 -21.346 330 2HB PRO 43 HB1 PRO 43 12.261 -6.138 -22.141 331 1HG PRO 43 HG2 PRO 43 14.429 -8.177 -22.062 332 2HG PRO 43 HG1 PRO 43 13.975 -7.069 -23.366 333 1HD PRO 43 HD2 PRO 43 16.066 -6.717 -21.499 334 2HD PRO 43 HD1 PRO 43 15.440 -5.503 -22.632 335 H ALA 44 HN ALA 44 15.036 -6.082 -18.394 336 HA ALA 44 HA ALA 44 15.133 -8.805 -17.653 337 1HB ALA 44 HB2 ALA 44 16.049 -6.313 -16.238 338 2HB ALA 44 HB1 ALA 44 16.356 -7.943 -15.640 339 3HB ALA 44 HB3 ALA 44 17.017 -7.435 -17.194 340 H VAL 45 HN VAL 45 12.856 -6.373 -16.890 341 HA VAL 45 HA VAL 45 12.044 -6.861 -14.330 342 HB VAL 45 HB VAL 45 9.714 -6.266 -15.079 343 1HG1 VAL 45 2HG1 VAL 45 11.974 -4.475 -15.963 344 2HG1 VAL 45 1HG1 VAL 45 10.311 -3.960 -15.682 345 3HG1 VAL 45 3HG1 VAL 45 11.282 -4.572 -14.343 346 1HG2 VAL 45 1HG2 VAL 45 11.060 -6.356 -17.762 347 2HG2 VAL 45 3HG2 VAL 45 9.528 -7.073 -17.266 348 3HG2 VAL 45 2HG2 VAL 45 9.660 -5.326 -17.467 349 H ASP 46 HN ASP 46 11.013 -8.667 -17.225 350 HA ASP 46 HA ASP 46 9.317 -10.439 -15.779 351 1HB ASP 46 HB2 ASP 46 9.202 -9.903 -18.267 352 2HB ASP 46 HB1 ASP 46 10.569 -10.993 -18.470 353 H GLU 47 HN GLU 47 12.719 -10.493 -16.688 354 HA GLU 47 HA GLU 47 13.171 -13.248 -16.133 355 1HB GLU 47 HB2 GLU 47 14.782 -12.133 -17.484 356 2HB GLU 47 HB1 GLU 47 15.007 -10.859 -16.295 357 1HG GLU 47 HG2 GLU 47 16.892 -12.446 -16.416 358 2HG GLU 47 HG1 GLU 47 16.157 -12.351 -14.818 359 H LYS 48 HN LYS 48 13.784 -10.301 -14.218 360 HA LYS 48 HA LYS 48 14.758 -11.519 -11.910 361 1HB LYS 48 HB2 LYS 48 13.593 -8.900 -12.600 362 2HB LYS 48 HB1 LYS 48 13.466 -9.342 -10.903 363 1HG LYS 48 HG2 LYS 48 15.462 -8.162 -11.030 364 2HG LYS 48 HG1 LYS 48 15.971 -9.851 -11.041 365 1HD LYS 48 HD2 LYS 48 15.466 -8.889 -13.720 366 2HD LYS 48 HD1 LYS 48 16.648 -7.877 -12.890 367 1HE LYS 48 HE2 LYS 48 18.120 -9.661 -12.559 368 2HE LYS 48 HE1 LYS 48 16.867 -10.867 -12.850 369 1HZ LYS 48 HZ1 LYS 48 16.813 -10.077 -15.190 370 2HZ LYS 48 HZ3 LYS 48 18.159 -9.107 -14.860 371 3HZ LYS 48 HZ2 LYS 48 18.280 -10.790 -14.744 372 H LEU 49 HN LEU 49 11.481 -11.283 -13.081 373 HA LEU 49 HA LEU 49 10.110 -11.707 -10.653 374 1HB LEU 49 HB2 LEU 49 9.094 -10.964 -12.838 375 2HB LEU 49 HB1 LEU 49 9.237 -12.620 -13.398 376 HG LEU 49 HG LEU 49 7.819 -12.324 -10.837 377 1HD1 LEU 49 3HD1 LEU 49 7.049 -10.300 -11.981 378 2HD1 LEU 49 2HD1 LEU 49 6.585 -11.270 -13.379 379 3HD1 LEU 49 1HD1 LEU 49 5.763 -11.499 -11.836 380 1HD2 LEU 49 2HD2 LEU 49 8.002 -14.445 -12.044 381 2HD2 LEU 49 1HD2 LEU 49 6.321 -13.932 -11.890 382 3HD2 LEU 49 3HD2 LEU 49 7.168 -13.733 -13.425 383 H ARG 50 HN ARG 50 10.706 -14.044 -13.286 384 HA ARG 50 HA ARG 50 10.143 -16.324 -11.719 385 1HB ARG 50 HB2 ARG 50 10.804 -15.791 -14.412 386 2HB ARG 50 HB1 ARG 50 12.016 -16.921 -13.829 387 1HG ARG 50 HG2 ARG 50 10.198 -18.138 -14.812 388 2HG ARG 50 HG1 ARG 50 10.209 -18.419 -13.070 389 1HD ARG 50 HD2 ARG 50 8.583 -16.128 -13.791 390 2HD ARG 50 HD1 ARG 50 8.050 -17.595 -14.611 391 HE ARG 50 HE ARG 50 8.451 -18.217 -11.920 392 1HH1 ARG 50 1HH1 ARG 50 6.322 -16.223 -13.857 393 2HH1 ARG 50 2HH1 ARG 50 4.998 -16.346 -12.748 394 1HH2 ARG 50 1HH2 ARG 50 6.703 -18.377 -10.466 395 2HH2 ARG 50 2HH2 ARG 50 5.215 -17.567 -10.822 396 H ASP 51 HN ASP 51 13.049 -14.438 -12.261 397 HA ASP 51 HA ASP 51 15.002 -16.214 -11.369 398 1HB ASP 51 HB2 ASP 51 15.254 -13.844 -12.383 399 2HB ASP 51 HB1 ASP 51 15.110 -13.277 -10.723 400 H LEU 52 HN LEU 52 13.345 -13.695 -9.456 401 HA LEU 52 HA LEU 52 14.367 -14.608 -6.968 402 1HB LEU 52 HB2 LEU 52 13.348 -12.299 -7.663 403 2HB LEU 52 HB1 LEU 52 11.830 -13.036 -7.188 404 HG LEU 52 HG LEU 52 13.479 -13.574 -5.035 405 1HD1 LEU 52 2HD1 LEU 52 15.167 -12.045 -6.015 406 2HD1 LEU 52 1HD1 LEU 52 13.990 -10.737 -5.913 407 3HD1 LEU 52 3HD1 LEU 52 14.569 -11.520 -4.442 408 1HD2 LEU 52 2HD2 LEU 52 11.134 -12.886 -4.962 409 2HD2 LEU 52 1HD2 LEU 52 12.124 -11.912 -3.875 410 3HD2 LEU 52 3HD2 LEU 52 11.597 -11.248 -5.421 411 H TYR 53 HN TYR 53 11.684 -15.579 -8.933 412 HA TYR 53 HA TYR 53 10.053 -16.721 -6.913 413 1HB TYR 53 HB2 TYR 53 10.063 -16.563 -9.800 414 2HB TYR 53 HB1 TYR 53 9.649 -18.191 -9.278 415 HD1 TYR 53 HD1 TYR 53 8.378 -14.989 -9.967 416 HD2 TYR 53 HD2 TYR 53 7.832 -18.313 -7.368 417 HE1 TYR 53 HE1 TYR 53 6.076 -14.252 -9.519 418 HE2 TYR 53 HE2 TYR 53 5.528 -17.585 -6.912 419 HH TYR 53 HH TYR 53 4.361 -14.910 -7.151 420 H SER 54 HN SER 54 12.581 -18.059 -9.023 421 HA SER 54 HA SER 54 12.377 -20.737 -8.197 422 1HB SER 54 HB2 SER 54 14.812 -19.232 -9.193 423 2HB SER 54 HB1 SER 54 14.672 -20.986 -9.090 424 HG SER 54 HG SER 54 13.370 -21.001 -10.784 425 H LYS 55 HN LYS 55 14.488 -18.109 -7.044 426 HA LYS 55 HA LYS 55 15.816 -19.580 -5.048 427 1HB LYS 55 HB2 LYS 55 16.444 -17.301 -5.986 428 2HB LYS 55 HB1 LYS 55 15.214 -16.625 -4.929 429 1HG LYS 55 HG2 LYS 55 16.696 -18.177 -3.216 430 2HG LYS 55 HG1 LYS 55 17.910 -17.534 -4.322 431 1HD LYS 55 HD2 LYS 55 15.842 -15.787 -3.011 432 2HD LYS 55 HD1 LYS 55 17.390 -16.153 -2.245 433 1HE LYS 55 HE2 LYS 55 18.063 -14.292 -3.325 434 2HE LYS 55 HE1 LYS 55 18.235 -15.393 -4.690 435 1HZ LYS 55 HZ1 LYS 55 15.780 -13.816 -4.138 436 2HZ LYS 55 HZ3 LYS 55 17.002 -13.321 -5.200 437 3HZ LYS 55 HZ2 LYS 55 16.118 -14.726 -5.523 438 H SER 56 HN SER 56 12.874 -17.595 -4.950 439 HA SER 56 HA SER 56 12.405 -17.758 -2.185 440 1HB SER 56 HB2 SER 56 10.622 -17.220 -4.546 441 2HB SER 56 HB1 SER 56 9.971 -17.290 -2.908 442 HG SER 56 HG SER 56 11.676 -15.416 -4.074 443 H THR 57 HN THR 57 11.995 -20.207 -4.610 444 HA THR 57 HA THR 57 9.857 -21.659 -3.558 445 HB THR 57 HB THR 57 12.320 -22.793 -4.901 446 HG1 THR 57 HG1 THR 57 11.579 -22.028 -6.702 447 1HG2 THR 57 1HG2 THR 57 9.510 -23.842 -4.689 448 2HG2 THR 57 3HG2 THR 57 10.738 -24.481 -5.782 449 3HG2 THR 57 2HG2 THR 57 10.979 -24.572 -4.037 450 H ALA 58 HN ALA 58 13.346 -21.980 -2.884 451 HA ALA 58 HA ALA 58 12.813 -23.834 -0.709 452 1HB ALA 58 HB1 ALA 58 14.709 -24.260 -2.181 453 2HB ALA 58 HB3 ALA 58 15.425 -22.717 -1.718 454 3HB ALA 58 HB2 ALA 58 15.242 -23.999 -0.520 455 H ALA 59 HN ALA 59 14.100 -20.551 -1.139 456 HA ALA 59 HA ALA 59 14.755 -20.052 1.546 457 1HB ALA 59 HB2 ALA 59 14.712 -17.668 0.910 458 2HB ALA 59 HB3 ALA 59 13.991 -18.117 -0.635 459 3HB ALA 59 HB1 ALA 59 15.617 -18.665 -0.228 460 H MET 60 HN MET 60 11.898 -18.853 -0.251 461 HA MET 60 HA MET 60 10.570 -17.841 2.005 462 1HB MET 60 HB2 MET 60 10.135 -17.437 -0.524 463 2HB MET 60 HB1 MET 60 9.081 -18.838 -0.401 464 1HG MET 60 HG2 MET 60 7.852 -16.746 -0.173 465 2HG MET 60 HG1 MET 60 7.750 -17.729 1.286 466 1HE MET 60 HE1 MET 60 8.654 -17.213 3.484 467 2HE MET 60 HE3 MET 60 8.863 -15.543 4.013 468 3HE MET 60 HE2 MET 60 7.333 -16.058 3.303 469 H SER 61 HN SER 61 10.876 -21.108 0.901 470 HA SER 61 HA SER 61 8.486 -22.162 1.994 471 1HB SER 61 HB2 SER 61 10.928 -23.213 0.796 472 2HB SER 61 HB1 SER 61 10.325 -24.237 2.098 473 HG SER 61 HG SER 61 9.212 -23.660 -0.375 474 H THR 62 HN THR 62 11.385 -21.077 3.489 475 HA THR 62 HA THR 62 10.837 -22.586 5.940 476 HB THR 62 HB THR 62 13.022 -21.745 6.721 477 HG1 THR 62 HG1 THR 62 13.587 -19.943 5.785 478 1HG2 THR 62 1HG2 THR 62 12.946 -23.837 5.408 479 2HG2 THR 62 3HG2 THR 62 13.294 -22.896 3.957 480 3HG2 THR 62 2HG2 THR 62 14.472 -22.966 5.268 481 H TYR 63 HN TYR 63 11.381 -19.241 4.846 482 HA TYR 63 HA TYR 63 10.726 -18.008 7.282 483 1HB TYR 63 HB2 TYR 63 10.565 -16.868 4.484 484 2HB TYR 63 HB1 TYR 63 10.579 -15.938 5.978 485 HD1 TYR 63 HD1 TYR 63 12.679 -16.507 7.551 486 HD2 TYR 63 HD2 TYR 63 12.548 -17.043 3.332 487 HE1 TYR 63 HE1 TYR 63 15.135 -16.417 7.469 488 HE2 TYR 63 HE2 TYR 63 15.003 -16.956 3.238 489 HH TYR 63 HH TYR 63 16.949 -17.519 5.386 490 H THR 64 HN THR 64 8.756 -19.487 4.868 491 HA THR 64 HA THR 64 6.427 -17.908 5.303 492 HB THR 64 HB THR 64 6.955 -20.558 4.010 493 HG1 THR 64 HG1 THR 64 6.856 -19.309 2.349 494 1HG2 THR 64 2HG2 THR 64 4.231 -19.528 4.739 495 2HG2 THR 64 1HG2 THR 64 4.510 -20.618 3.381 496 3HG2 THR 64 3HG2 THR 64 4.911 -21.131 5.020 497 H GLY 65 HN GLY 65 7.288 -21.177 6.415 498 1HA GLY 65 HA1 GLY 65 6.602 -22.352 8.274 499 2HA GLY 65 HA2 GLY 65 5.160 -21.340 8.290 500 H ILE 66 HN ILE 66 8.493 -20.218 8.447 501 HA ILE 66 HA ILE 66 8.680 -19.909 11.250 502 HB ILE 66 HB ILE 66 10.174 -18.630 8.969 503 1HG1 ILE 66 2HG1 ILE 66 10.572 -21.030 9.483 504 2HG1 ILE 66 1HG1 ILE 66 12.005 -20.035 9.714 505 1HG2 ILE 66 2HG2 ILE 66 10.404 -18.060 11.902 506 2HG2 ILE 66 1HG2 ILE 66 11.791 -17.891 10.825 507 3HG2 ILE 66 3HG2 ILE 66 10.338 -16.930 10.551 508 1HD1 ILE 66 2HD1 ILE 66 11.593 -20.031 12.130 509 2HD1 ILE 66 1HD1 ILE 66 10.181 -21.059 11.879 510 3HD1 ILE 66 3HD1 ILE 66 11.792 -21.661 11.488 511 H PHE 67 HN PHE 67 8.160 -17.431 8.722 512 HA PHE 67 HA PHE 67 7.677 -15.255 10.361 513 1HB PHE 67 HB2 PHE 67 6.578 -15.944 7.642 514 2HB PHE 67 HB1 PHE 67 6.167 -14.435 8.446 515 HD1 PHE 67 HD1 PHE 67 7.256 -13.930 6.009 516 HD2 PHE 67 HD2 PHE 67 9.379 -15.093 9.512 517 HE1 PHE 67 HE1 PHE 67 9.302 -12.904 5.107 518 HE2 PHE 67 HE2 PHE 67 11.425 -14.066 8.615 519 HZ PHE 67 HZ PHE 67 11.389 -12.971 6.411 520 H THR 68 HN THR 68 5.181 -17.382 8.952 521 HA THR 68 HA THR 68 3.048 -16.261 10.409 522 HB THR 68 HB THR 68 2.926 -17.676 8.291 523 HG1 THR 68 HG1 THR 68 1.172 -18.268 10.441 524 1HG2 THR 68 3HG2 THR 68 4.198 -19.620 9.312 525 2HG2 THR 68 2HG2 THR 68 2.706 -19.998 10.172 526 3HG2 THR 68 1HG2 THR 68 2.732 -20.001 8.408 527 H ASP 69 HN ASP 69 5.487 -18.475 11.349 528 HA ASP 69 HA ASP 69 4.172 -19.989 13.297 529 1HB ASP 69 HB2 ASP 69 6.798 -19.736 12.438 530 2HB ASP 69 HB1 ASP 69 6.866 -19.212 14.116 531 H GLN 70 HN GLN 70 6.000 -16.954 13.745 532 HA GLN 70 HA GLN 70 5.203 -16.631 16.456 533 1HB GLN 70 HB2 GLN 70 7.236 -15.614 15.207 534 2HB GLN 70 HB1 GLN 70 6.108 -14.361 14.708 535 1HG GLN 70 HG2 GLN 70 6.136 -13.378 16.708 536 2HG GLN 70 HG1 GLN 70 6.031 -14.912 17.570 537 1HE2 GLN 70 1HE2 GLN 70 7.978 -16.082 17.967 538 2HE2 GLN 70 2HE2 GLN 70 9.497 -15.262 18.027 539 H VAL 71 HN VAL 71 3.754 -15.769 13.426 540 HA VAL 71 HA VAL 71 2.028 -13.712 14.363 541 HB VAL 71 HB VAL 71 1.708 -15.557 11.980 542 1HG1 VAL 71 1HG1 VAL 71 0.200 -13.088 12.809 543 2HG1 VAL 71 3HG1 VAL 71 0.201 -13.700 11.155 544 3HG1 VAL 71 2HG1 VAL 71 -0.441 -14.695 12.461 545 1HG2 VAL 71 1HG2 VAL 71 3.718 -13.900 12.198 546 2HG2 VAL 71 3HG2 VAL 71 2.822 -14.011 10.684 547 3HG2 VAL 71 2HG2 VAL 71 2.504 -12.684 11.801 548 H LEU 72 HN LEU 72 1.532 -17.145 13.636 549 HA LEU 72 HA LEU 72 -1.080 -17.392 14.603 550 1HB LEU 72 HB2 LEU 72 0.493 -19.065 13.297 551 2HB LEU 72 HB1 LEU 72 0.880 -19.632 14.910 552 HG LEU 72 HG LEU 72 -2.002 -19.402 14.272 553 1HD1 LEU 72 1HD1 LEU 72 -1.131 -20.302 12.179 554 2HD1 LEU 72 3HD1 LEU 72 -0.271 -21.558 13.069 555 3HD1 LEU 72 2HD1 LEU 72 -2.034 -21.526 13.071 556 1HD2 LEU 72 3HD2 LEU 72 -0.287 -21.460 15.657 557 2HD2 LEU 72 2HD2 LEU 72 -1.286 -20.226 16.426 558 3HD2 LEU 72 1HD2 LEU 72 -2.044 -21.534 15.516 559 H SER 73 HN SER 73 2.060 -17.463 16.188 560 HA SER 73 HA SER 73 1.253 -18.443 18.686 561 1HB SER 73 HB2 SER 73 3.397 -18.052 19.313 562 2HB SER 73 HB1 SER 73 3.647 -17.629 17.621 563 HG SER 73 HG SER 73 3.630 -15.528 18.125 564 H VAL 74 HN VAL 74 1.128 -15.202 17.336 565 HA VAL 74 HA VAL 74 0.289 -13.940 19.762 566 HB VAL 74 HB VAL 74 -0.262 -12.890 16.988 567 1HG1 VAL 74 3HG1 VAL 74 0.224 -11.530 19.636 568 2HG1 VAL 74 2HG1 VAL 74 -0.025 -10.707 18.096 569 3HG1 VAL 74 1HG1 VAL 74 -1.322 -11.673 18.799 570 1HG2 VAL 74 1HG2 VAL 74 2.313 -13.303 18.319 571 2HG2 VAL 74 3HG2 VAL 74 1.948 -12.992 16.621 572 3HG2 VAL 74 2HG2 VAL 74 2.048 -11.651 17.762 573 H LEU 75 HN LEU 75 -1.295 -15.904 17.436 574 HA LEU 75 HA LEU 75 -3.922 -14.876 17.617 575 1HB LEU 75 HB2 LEU 75 -2.772 -16.747 16.068 576 2HB LEU 75 HB1 LEU 75 -3.561 -17.791 17.235 577 HG LEU 75 HG LEU 75 -5.409 -15.780 16.324 578 1HD1 LEU 75 3HD1 LEU 75 -3.980 -15.734 14.324 579 2HD1 LEU 75 2HD1 LEU 75 -4.184 -17.477 14.155 580 3HD1 LEU 75 1HD1 LEU 75 -5.576 -16.406 13.993 581 1HD2 LEU 75 2HD2 LEU 75 -5.994 -17.923 17.363 582 2HD2 LEU 75 1HD2 LEU 75 -6.757 -17.728 15.786 583 3HD2 LEU 75 3HD2 LEU 75 -5.347 -18.774 15.960 584 H LYS 76 HN LYS 76 -2.080 -17.124 19.531 585 HA LYS 76 HA LYS 76 -4.250 -18.032 21.149 586 1HB LYS 76 HB2 LYS 76 -1.631 -18.813 20.786 587 2HB LYS 76 HB1 LYS 76 -1.596 -18.106 22.395 588 1HG LYS 76 HG2 LYS 76 -2.089 -20.279 22.892 589 2HG LYS 76 HG1 LYS 76 -3.713 -19.599 22.770 590 1HD LYS 76 HD2 LYS 76 -3.880 -20.402 20.467 591 2HD LYS 76 HD1 LYS 76 -2.250 -21.067 20.574 592 1HE LYS 76 HE2 LYS 76 -3.021 -22.512 22.441 593 2HE LYS 76 HE1 LYS 76 -4.658 -21.909 22.183 594 1HZ LYS 76 HZ1 LYS 76 -3.027 -23.387 20.186 595 2HZ LYS 76 HZ3 LYS 76 -4.309 -24.030 21.084 596 3HZ LYS 76 HZ2 LYS 76 -4.601 -22.816 19.944 597 H GLY 77 HN GLY 77 -1.735 -15.551 21.539 598 1HA GLY 77 HA1 GLY 77 -1.523 -13.817 23.034 599 2HA GLY 77 HA2 GLY 77 -2.499 -14.755 24.155 600 H GLU 78 HN GLU 78 -3.209 -13.336 20.957 601 HA GLU 78 HA GLU 78 -5.709 -12.283 22.004 602 1HB GLU 78 HB2 GLU 78 -5.069 -10.044 20.766 603 2HB GLU 78 HB1 GLU 78 -4.609 -10.317 22.439 604 1HG GLU 78 HG2 GLU 78 -2.460 -10.118 21.950 605 2HG GLU 78 HG1 GLU 78 -2.577 -11.319 20.665 606 H GLU 79 HN GLU 79 -3.642 -11.929 19.093 607 HA GLU 79 HA GLU 79 -5.465 -13.402 17.457 608 1HB GLU 79 HB2 GLU 79 -6.231 -10.804 17.831 609 2HB GLU 79 HB1 GLU 79 -5.253 -10.672 16.375 610 1HG GLU 79 HG2 GLU 79 -7.661 -12.429 16.784 611 2HG GLU 79 HG1 GLU 79 -7.551 -10.991 15.770 No H/Q in entry = 611 Start of MODEL 56 1 H1 THR 1 HT2 THR 1 3.197 7.690 26.009 2 H2 THR 1 HT1 THR 1 1.858 7.429 24.968 3 H3 THR 1 HT3 THR 1 3.202 8.343 24.423 4 HA THR 1 HA THR 1 1.439 9.797 24.942 5 HB THR 1 HB THR 1 0.654 9.879 27.346 6 HG1 THR 1 HG1 THR 1 2.032 8.724 28.516 7 1HG2 THR 1 3HG2 THR 1 -0.508 8.600 25.402 8 2HG2 THR 1 2HG2 THR 1 -0.007 7.172 26.308 9 3HG2 THR 1 1HG2 THR 1 -1.047 8.377 27.066 10 H GLN 2 HN GLN 2 1.691 11.812 26.213 11 HA GLN 2 HA GLN 2 4.330 12.721 26.225 12 1HB GLN 2 HB2 GLN 2 2.345 14.186 26.041 13 2HB GLN 2 HB1 GLN 2 1.975 13.879 27.731 14 1HG GLN 2 HG2 GLN 2 4.676 14.914 27.134 15 2HG GLN 2 HG1 GLN 2 3.326 16.020 26.888 16 1HE2 GLN 2 1HE2 GLN 2 5.499 14.802 29.109 17 2HE2 GLN 2 2HE2 GLN 2 4.719 15.324 30.558 18 H GLN 3 HN GLN 3 2.249 11.888 29.004 19 HA GLN 3 HA GLN 3 4.532 12.057 30.802 20 1HB GLN 3 HB2 GLN 3 1.574 11.812 31.144 21 2HB GLN 3 HB1 GLN 3 2.617 11.277 32.454 22 1HG GLN 3 HG2 GLN 3 3.100 13.964 31.287 23 2HG GLN 3 HG1 GLN 3 1.691 13.740 32.324 24 1HE2 GLN 3 1HE2 GLN 3 2.021 13.078 34.500 25 2HE2 GLN 3 2HE2 GLN 3 3.528 13.370 35.292 26 HA PRO 4 HA PRO 4 5.351 7.721 30.852 27 1HB PRO 4 HB2 PRO 4 6.392 7.397 33.322 28 2HB PRO 4 HB1 PRO 4 7.245 8.275 32.048 29 1HG PRO 4 HG2 PRO 4 5.643 9.343 34.339 30 2HG PRO 4 HG1 PRO 4 7.196 9.911 33.698 31 1HD PRO 4 HD2 PRO 4 4.809 11.093 33.113 32 2HD PRO 4 HD1 PRO 4 6.203 11.113 32.015 33 H GLN 5 HN GLN 5 3.013 7.243 30.744 34 HA GLN 5 HA GLN 5 1.518 6.775 33.130 35 1HB GLN 5 HB2 GLN 5 1.099 6.449 30.231 36 2HB GLN 5 HB1 GLN 5 0.223 5.302 31.234 37 1HG GLN 5 HG2 GLN 5 -1.337 6.857 31.452 38 2HG GLN 5 HG1 GLN 5 -0.205 7.727 32.485 39 1HE2 GLN 5 1HE2 GLN 5 1.105 9.374 31.531 40 2HE2 GLN 5 2HE2 GLN 5 0.578 10.189 30.102 41 H GLN 6 HN GLN 6 0.698 4.710 33.854 42 HA GLN 6 HA GLN 6 2.751 2.783 34.203 43 1HB GLN 6 HB2 GLN 6 1.141 3.086 35.954 44 2HB GLN 6 HB1 GLN 6 -0.197 2.752 34.864 45 1HG GLN 6 HG2 GLN 6 1.812 0.610 35.171 46 2HG GLN 6 HG1 GLN 6 0.805 0.958 36.576 47 1HE2 GLN 6 1HE2 GLN 6 1.033 -0.833 33.801 48 2HE2 GLN 6 2HE2 GLN 6 -0.631 -1.247 33.598 49 H ASP 7 HN ASP 7 -0.349 2.649 32.439 50 HA ASP 7 HA ASP 7 0.164 0.083 31.314 51 1HB ASP 7 HB2 ASP 7 -1.818 2.214 30.489 52 2HB ASP 7 HB1 ASP 7 -1.810 0.556 29.895 53 H GLU 8 HN GLU 8 0.893 3.352 30.348 54 HA GLU 8 HA GLU 8 1.418 2.811 27.605 55 1HB GLU 8 HB2 GLU 8 0.940 5.076 28.385 56 2HB GLU 8 HB1 GLU 8 2.387 5.058 29.384 57 1HG GLU 8 HG2 GLU 8 2.892 4.489 26.563 58 2HG GLU 8 HG1 GLU 8 2.208 6.084 26.864 59 H MET 9 HN MET 9 2.856 1.243 27.153 60 HA MET 9 HA MET 9 5.185 0.714 28.687 61 1HB MET 9 HB2 MET 9 4.393 -0.157 25.903 62 2HB MET 9 HB1 MET 9 5.816 -0.752 26.747 63 1HG MET 9 HG2 MET 9 2.967 -1.064 27.670 64 2HG MET 9 HG1 MET 9 3.945 -2.309 26.895 65 1HE MET 9 HE1 MET 9 2.500 -1.341 30.069 66 2HE MET 9 HE3 MET 9 3.788 -1.245 31.271 67 3HE MET 9 HE2 MET 9 3.617 0.023 30.056 68 HA PRO 10 HA PRO 10 7.738 3.969 26.997 69 1HB PRO 10 HB2 PRO 10 10.083 3.177 28.125 70 2HB PRO 10 HB1 PRO 10 8.812 4.011 29.027 71 1HG PRO 10 HG2 PRO 10 9.442 1.087 28.906 72 2HG PRO 10 HG1 PRO 10 9.025 2.085 30.312 73 1HD PRO 10 HD2 PRO 10 7.227 0.478 29.086 74 2HD PRO 10 HD1 PRO 10 6.767 2.012 29.851 75 H SER 11 HN SER 11 9.149 4.219 25.292 76 HA SER 11 HA SER 11 9.483 1.991 23.539 77 1HB SER 11 HB2 SER 11 10.394 4.865 23.419 78 2HB SER 11 HB1 SER 11 10.810 3.696 22.166 79 HG SER 11 HG SER 11 8.328 4.800 22.828 80 HA PRO 12 HA PRO 12 13.431 0.808 25.340 81 1HB PRO 12 HB2 PRO 12 13.676 -1.547 24.079 82 2HB PRO 12 HB1 PRO 12 12.513 -1.316 25.391 83 1HG PRO 12 HG2 PRO 12 12.056 -1.323 22.434 84 2HG PRO 12 HG1 PRO 12 11.082 -2.059 23.719 85 1HD PRO 12 HD2 PRO 12 10.497 0.346 22.528 86 2HD PRO 12 HD1 PRO 12 9.981 -0.105 24.165 87 H THR 13 HN THR 13 15.571 0.064 24.430 88 HA THR 13 HA THR 13 16.349 1.786 22.291 89 HB THR 13 HB THR 13 17.973 -0.420 23.575 90 HG1 THR 13 HG1 THR 13 17.730 0.778 25.284 91 1HG2 THR 13 1HG2 THR 13 18.798 2.088 22.134 92 2HG2 THR 13 3HG2 THR 13 19.886 1.059 23.065 93 3HG2 THR 13 2HG2 THR 13 19.083 0.423 21.629 94 H PHE 14 HN PHE 14 15.464 1.251 20.357 95 HA PHE 14 HA PHE 14 16.565 -1.005 18.960 96 1HB PHE 14 HB2 PHE 14 14.639 -2.038 20.151 97 2HB PHE 14 HB1 PHE 14 13.564 -0.902 19.344 98 HD1 PHE 14 HD1 PHE 14 12.921 -1.204 17.069 99 HD2 PHE 14 HD2 PHE 14 15.777 -3.798 18.868 100 HE1 PHE 14 HE1 PHE 14 12.710 -2.751 15.166 101 HE2 PHE 14 HE2 PHE 14 15.571 -5.348 16.968 102 HZ PHE 14 HZ PHE 14 14.037 -4.825 15.114 103 H LEU 15 HN LEU 15 13.891 1.360 18.848 104 HA LEU 15 HA LEU 15 13.879 1.685 16.055 105 1HB LEU 15 HB2 LEU 15 12.992 3.543 18.260 106 2HB LEU 15 HB1 LEU 15 12.695 3.843 16.558 107 HG LEU 15 HG LEU 15 11.733 1.325 17.891 108 1HD1 LEU 15 1HD1 LEU 15 10.843 3.196 19.176 109 2HD1 LEU 15 3HD1 LEU 15 10.261 3.950 17.691 110 3HD1 LEU 15 2HD1 LEU 15 9.576 2.416 18.230 111 1HD2 LEU 15 1HD2 LEU 15 10.846 2.848 15.442 112 2HD2 LEU 15 3HD2 LEU 15 11.756 1.337 15.462 113 3HD2 LEU 15 2HD2 LEU 15 10.097 1.376 16.061 114 H THR 16 HN THR 16 15.810 3.184 18.576 115 HA THR 16 HA THR 16 16.796 5.399 17.193 116 HB THR 16 HB THR 16 18.830 5.101 18.720 117 HG1 THR 16 HG1 THR 16 18.950 3.088 19.369 118 1HG2 THR 16 3HG2 THR 16 16.915 6.502 19.359 119 2HG2 THR 16 2HG2 THR 16 16.152 5.088 20.088 120 3HG2 THR 16 1HG2 THR 16 17.672 5.702 20.738 121 H GLN 17 HN GLN 17 18.008 2.057 17.313 122 HA GLN 17 HA GLN 17 20.301 2.458 15.731 123 1HB GLN 17 HB2 GLN 17 19.814 0.435 17.139 124 2HB GLN 17 HB1 GLN 17 18.656 -0.073 15.918 125 1HG GLN 17 HG2 GLN 17 21.018 0.437 14.521 126 2HG GLN 17 HG1 GLN 17 21.510 -0.403 15.991 127 1HE2 GLN 17 1HE2 GLN 17 19.248 -0.582 13.276 128 2HE2 GLN 17 2HE2 GLN 17 19.190 -2.306 13.211 129 H VAL 18 HN VAL 18 17.127 1.116 14.829 130 HA VAL 18 HA VAL 18 17.191 0.595 12.242 131 HB VAL 18 HB VAL 18 15.080 2.382 13.457 132 1HG1 VAL 18 3HG1 VAL 18 15.131 0.748 10.932 133 2HG1 VAL 18 2HG1 VAL 18 13.628 1.251 11.707 134 3HG1 VAL 18 1HG1 VAL 18 14.767 2.463 11.121 135 1HG2 VAL 18 1HG2 VAL 18 15.558 -0.566 13.513 136 2HG2 VAL 18 3HG2 VAL 18 15.030 0.513 14.804 137 3HG2 VAL 18 2HG2 VAL 18 13.904 0.046 13.530 138 H LYS 19 HN LYS 19 16.996 3.972 13.390 139 HA LYS 19 HA LYS 19 16.815 5.285 10.979 140 1HB LYS 19 HB2 LYS 19 18.225 6.102 13.514 141 2HB LYS 19 HB1 LYS 19 18.009 7.187 12.149 142 1HG LYS 19 HG2 LYS 19 15.943 7.677 12.778 143 2HG LYS 19 HG1 LYS 19 15.505 5.970 12.869 144 1HD LYS 19 HD2 LYS 19 16.378 5.821 15.115 145 2HD LYS 19 HD1 LYS 19 16.977 7.478 15.027 146 1HE LYS 19 HE2 LYS 19 15.032 8.184 15.834 147 2HE LYS 19 HE1 LYS 19 14.245 7.589 14.373 148 1HZ LYS 19 HZ3 LYS 19 13.991 5.427 15.456 149 2HZ LYS 19 HZ2 LYS 19 14.697 6.039 16.867 150 3HZ LYS 19 HZ1 LYS 19 13.217 6.653 16.328 151 H GLU 20 HN GLU 20 19.800 4.261 12.621 152 HA GLU 20 HA GLU 20 21.578 5.350 10.724 153 1HB GLU 20 HB2 GLU 20 21.868 3.114 12.724 154 2HB GLU 20 HB1 GLU 20 23.193 3.622 11.685 155 1HG GLU 20 HG2 GLU 20 23.602 4.799 13.617 156 2HG GLU 20 HG1 GLU 20 22.726 5.978 12.642 157 H SER 21 HN SER 21 19.804 2.357 10.851 158 HA SER 21 HA SER 21 21.214 0.913 8.882 159 1HB SER 21 HB2 SER 21 18.245 0.656 9.354 160 2HB SER 21 HB1 SER 21 19.386 -0.593 8.857 161 HG SER 21 HG SER 21 18.701 -0.583 11.137 162 H LEU 22 HN LEU 22 18.567 3.241 8.676 163 HA LEU 22 HA LEU 22 18.062 2.878 5.900 164 1HB LEU 22 HB2 LEU 22 17.408 5.167 7.754 165 2HB LEU 22 HB1 LEU 22 16.824 5.037 6.105 166 HG LEU 22 HG LEU 22 16.237 2.661 7.700 167 1HD1 LEU 22 1HD1 LEU 22 15.109 5.321 8.554 168 2HD1 LEU 22 3HD1 LEU 22 14.438 3.755 9.009 169 3HD1 LEU 22 2HD1 LEU 22 16.062 4.203 9.530 170 1HD2 LEU 22 3HD2 LEU 22 15.273 3.106 5.503 171 2HD2 LEU 22 2HD2 LEU 22 14.017 3.004 6.737 172 3HD2 LEU 22 1HD2 LEU 22 14.522 4.578 6.121 173 H SER 23 HN SER 23 19.962 5.275 7.734 174 HA SER 23 HA SER 23 20.700 6.877 5.563 175 1HB SER 23 HB2 SER 23 22.410 7.800 6.974 176 2HB SER 23 HB1 SER 23 21.020 7.447 7.997 177 HG SER 23 HG SER 23 22.067 5.669 8.795 178 H SER 24 HN SER 24 22.338 4.055 6.970 179 HA SER 24 HA SER 24 24.565 4.082 5.232 180 1HB SER 24 HB2 SER 24 23.305 1.752 6.702 181 2HB SER 24 HB1 SER 24 24.903 1.743 5.959 182 HG SER 24 HG SER 24 24.035 2.946 8.304 183 H TYR 25 HN TYR 25 21.285 3.119 4.762 184 HA TYR 25 HA TYR 25 21.786 1.328 2.568 185 1HB TYR 25 HB2 TYR 25 19.748 1.241 4.060 186 2HB TYR 25 HB1 TYR 25 19.185 2.705 3.262 187 HD1 TYR 25 HD1 TYR 25 19.748 -0.893 2.901 188 HD2 TYR 25 HD2 TYR 25 18.402 2.645 0.958 189 HE1 TYR 25 HE1 TYR 25 18.725 -2.261 1.132 190 HE2 TYR 25 HE2 TYR 25 17.373 1.287 -0.815 191 HH TYR 25 HH TYR 25 18.060 -1.506 -1.627 192 H TRP 26 HN TRP 26 20.821 4.716 2.943 193 HA TRP 26 HA TRP 26 20.356 5.263 0.220 194 1HB TRP 26 HB2 TRP 26 20.143 6.678 2.594 195 2HB TRP 26 HB1 TRP 26 21.405 7.537 1.717 196 HD1 TRP 26 HD1 TRP 26 20.356 9.542 0.536 197 HE1 TRP 26 HE1 TRP 26 18.204 9.982 -0.805 198 HE3 TRP 26 HE3 TRP 26 18.157 4.948 0.994 199 HZ2 TRP 26 HZ2 TRP 26 15.882 8.570 -1.568 200 HZ3 TRP 26 HZ3 TRP 26 15.971 4.576 -0.072 201 HH2 TRP 26 HH2 TRP 26 14.858 6.350 -1.326 202 H GLU 27 HN GLU 27 23.269 5.355 2.182 203 HA GLU 27 HA GLU 27 25.087 6.732 0.722 204 1HB GLU 27 HB2 GLU 27 25.567 4.016 1.969 205 2HB GLU 27 HB1 GLU 27 26.815 5.169 1.526 206 1HG GLU 27 HG2 GLU 27 24.791 5.361 3.724 207 2HG GLU 27 HG1 GLU 27 26.547 5.398 3.837 208 H SER 28 HN SER 28 24.432 3.268 0.245 209 HA SER 28 HA SER 28 25.714 3.330 -2.362 210 1HB SER 28 HB2 SER 28 25.311 0.885 -2.354 211 2HB SER 28 HB1 SER 28 26.170 1.423 -0.911 212 HG SER 28 HG SER 28 24.490 0.922 0.292 213 H ALA 29 HN ALA 29 22.579 3.813 -1.132 214 HA ALA 29 HA ALA 29 20.973 2.595 -3.089 215 1HB ALA 29 HB1 ALA 29 20.095 3.519 -0.989 216 2HB ALA 29 HB3 ALA 29 20.400 5.147 -1.592 217 3HB ALA 29 HB2 ALA 29 19.219 4.114 -2.398 218 H LYS 30 HN LYS 30 22.897 5.505 -3.235 219 HA LYS 30 HA LYS 30 21.647 6.920 -5.252 220 1HB LYS 30 HB2 LYS 30 23.710 7.565 -3.892 221 2HB LYS 30 HB1 LYS 30 24.642 6.650 -5.068 222 1HG LYS 30 HG2 LYS 30 24.421 8.221 -6.671 223 2HG LYS 30 HG1 LYS 30 22.784 8.652 -6.176 224 1HD LYS 30 HD2 LYS 30 23.981 10.550 -5.609 225 2HD LYS 30 HD1 LYS 30 23.956 9.660 -4.087 226 1HE LYS 30 HE2 LYS 30 26.213 9.164 -5.956 227 2HE LYS 30 HE1 LYS 30 26.187 10.695 -5.083 228 1HZ LYS 30 HZ3 LYS 30 25.915 9.345 -3.011 229 2HZ LYS 30 HZ2 LYS 30 26.235 7.963 -3.933 230 3HZ LYS 30 HZ1 LYS 30 27.411 9.169 -3.782 231 H THR 31 HN THR 31 24.179 4.447 -5.686 232 HA THR 31 HA THR 31 24.347 4.410 -8.433 233 HB THR 31 HB THR 31 25.021 2.031 -8.235 234 HG1 THR 31 HG1 THR 31 23.914 1.067 -6.702 235 1HG2 THR 31 3HG2 THR 31 26.600 3.889 -7.601 236 2HG2 THR 31 2HG2 THR 31 26.194 3.538 -5.921 237 3HG2 THR 31 1HG2 THR 31 26.951 2.299 -6.923 238 H ALA 32 HN ALA 32 21.903 2.999 -6.346 239 HA ALA 32 HA ALA 32 20.562 1.454 -8.285 240 1HB ALA 32 HB2 ALA 32 19.044 2.756 -6.070 241 2HB ALA 32 HB1 ALA 32 18.927 1.114 -6.703 242 3HB ALA 32 HB3 ALA 32 20.289 1.570 -5.678 243 H ALA 33 HN ALA 33 20.212 4.849 -7.284 244 HA ALA 33 HA ALA 33 17.924 5.559 -8.653 245 1HB ALA 33 HB1 ALA 33 19.323 7.019 -7.132 246 2HB ALA 33 HB3 ALA 33 20.349 7.333 -8.531 247 3HB ALA 33 HB2 ALA 33 18.651 7.810 -8.559 248 H GLN 34 HN GLN 34 21.240 5.781 -9.942 249 HA GLN 34 HA GLN 34 20.416 6.413 -12.572 250 1HB GLN 34 HB2 GLN 34 22.990 5.147 -11.603 251 2HB GLN 34 HB1 GLN 34 22.731 5.788 -13.220 252 1HG GLN 34 HG2 GLN 34 23.351 7.793 -12.537 253 2HG GLN 34 HG1 GLN 34 22.039 7.813 -11.359 254 1HE2 GLN 34 1HE2 GLN 34 25.422 7.237 -11.883 255 2HE2 GLN 34 2HE2 GLN 34 25.874 7.149 -10.218 256 H ASN 35 HN ASN 35 21.029 3.401 -10.871 257 HA ASN 35 HA ASN 35 20.942 1.666 -13.090 258 1HB ASN 35 HB2 ASN 35 21.664 1.157 -10.665 259 2HB ASN 35 HB1 ASN 35 19.951 0.891 -10.354 260 1HD2 ASN 35 1HD2 ASN 35 18.917 -0.877 -11.297 261 2HD2 ASN 35 2HD2 ASN 35 19.799 -2.196 -11.980 262 H LEU 36 HN LEU 36 18.433 3.263 -11.310 263 HA LEU 36 HA LEU 36 16.218 1.685 -11.949 264 1HB LEU 36 HB2 LEU 36 16.383 3.770 -10.415 265 2HB LEU 36 HB1 LEU 36 16.115 4.692 -11.881 266 HG LEU 36 HG LEU 36 14.183 2.520 -11.251 267 1HD1 LEU 36 3HD1 LEU 36 14.496 3.636 -9.095 268 2HD1 LEU 36 2HD1 LEU 36 14.166 5.192 -9.858 269 3HD1 LEU 36 1HD1 LEU 36 12.904 3.963 -9.777 270 1HD2 LEU 36 3HD2 LEU 36 13.975 5.284 -12.436 271 2HD2 LEU 36 2HD2 LEU 36 13.919 3.751 -13.305 272 3HD2 LEU 36 1HD2 LEU 36 12.615 4.186 -12.200 273 H TYR 37 HN TYR 37 17.789 4.362 -13.598 274 HA TYR 37 HA TYR 37 16.135 4.394 -15.902 275 1HB TYR 37 HB2 TYR 37 18.859 5.452 -15.238 276 2HB TYR 37 HB1 TYR 37 18.339 5.429 -16.920 277 HD1 TYR 37 HD1 TYR 37 17.795 6.926 -13.623 278 HD2 TYR 37 HD2 TYR 37 16.538 6.868 -17.688 279 HE1 TYR 37 HE1 TYR 37 16.580 9.034 -13.271 280 HE2 TYR 37 HE2 TYR 37 15.321 8.975 -17.347 281 HH TYR 37 HH TYR 37 15.755 11.052 -15.341 282 H GLU 38 HN GLU 38 19.055 2.660 -14.987 283 HA GLU 38 HA GLU 38 19.739 1.535 -17.449 284 1HB GLU 38 HB2 GLU 38 21.245 1.447 -15.545 285 2HB GLU 38 HB1 GLU 38 20.128 0.411 -14.671 286 1HG GLU 38 HG2 GLU 38 21.134 -0.513 -17.309 287 2HG GLU 38 HG1 GLU 38 22.226 -0.559 -15.926 288 H LYS 39 HN LYS 39 17.904 -0.019 -14.834 289 HA LYS 39 HA LYS 39 17.208 -2.322 -16.254 290 1HB LYS 39 HB2 LYS 39 16.777 -1.293 -13.680 291 2HB LYS 39 HB1 LYS 39 15.175 -1.614 -14.331 292 1HG LYS 39 HG2 LYS 39 16.247 -3.909 -15.006 293 2HG LYS 39 HG1 LYS 39 17.392 -3.505 -13.726 294 1HD LYS 39 HD2 LYS 39 15.734 -4.740 -12.635 295 2HD LYS 39 HD1 LYS 39 15.320 -3.062 -12.279 296 1HE LYS 39 HE2 LYS 39 13.277 -4.002 -12.871 297 2HE LYS 39 HE1 LYS 39 13.808 -3.219 -14.357 298 1HZ LYS 39 HZ1 LYS 39 14.479 -6.046 -13.901 299 2HZ LYS 39 HZ3 LYS 39 12.918 -5.638 -14.409 300 3HZ LYS 39 HZ2 LYS 39 14.253 -5.220 -15.359 301 H THR 40 HN THR 40 16.079 0.845 -16.766 302 HA THR 40 HA THR 40 13.385 0.272 -17.476 303 HB THR 40 HB THR 40 15.178 2.526 -18.405 304 HG1 THR 40 HG1 THR 40 14.928 2.694 -16.227 305 1HG2 THR 40 2HG2 THR 40 12.191 2.225 -18.549 306 2HG2 THR 40 1HG2 THR 40 13.042 3.759 -18.733 307 3HG2 THR 40 3HG2 THR 40 13.319 2.453 -19.886 308 H TYR 41 HN TYR 41 16.284 0.783 -19.446 309 HA TYR 41 HA TYR 41 15.095 0.057 -21.910 310 1HB TYR 41 HB2 TYR 41 17.166 1.406 -21.715 311 2HB TYR 41 HB1 TYR 41 18.021 -0.021 -21.140 312 HD1 TYR 41 HD1 TYR 41 18.859 -1.639 -22.660 313 HD2 TYR 41 HD2 TYR 41 16.289 1.450 -24.062 314 HE1 TYR 41 HE1 TYR 41 19.387 -2.260 -24.979 315 HE2 TYR 41 HE2 TYR 41 16.810 0.836 -26.384 316 HH TYR 41 HH TYR 41 19.189 -0.599 -27.421 317 H LEU 42 HN LEU 42 16.927 -1.794 -19.505 318 HA LEU 42 HA LEU 42 17.144 -4.170 -21.032 319 1HB LEU 42 HB2 LEU 42 17.557 -3.414 -18.189 320 2HB LEU 42 HB1 LEU 42 17.360 -5.118 -18.544 321 HG LEU 42 HG LEU 42 19.720 -4.488 -18.447 322 1HD1 LEU 42 1HD1 LEU 42 18.898 -6.287 -19.981 323 2HD1 LEU 42 3HD1 LEU 42 18.952 -5.107 -21.291 324 3HD1 LEU 42 2HD1 LEU 42 20.434 -5.557 -20.448 325 1HD2 LEU 42 3HD2 LEU 42 19.358 -2.135 -19.227 326 2HD2 LEU 42 2HD2 LEU 42 20.720 -2.964 -19.981 327 3HD2 LEU 42 1HD2 LEU 42 19.207 -2.767 -20.865 328 HA PRO 43 HA PRO 43 13.066 -5.827 -20.329 329 1HB PRO 43 HB2 PRO 43 13.327 -8.074 -21.730 330 2HB PRO 43 HB1 PRO 43 13.405 -6.499 -22.526 331 1HG PRO 43 HG2 PRO 43 15.606 -8.380 -21.827 332 2HG PRO 43 HG1 PRO 43 15.444 -7.310 -23.230 333 1HD PRO 43 HD2 PRO 43 16.929 -6.801 -20.886 334 2HD PRO 43 HD1 PRO 43 16.535 -5.635 -22.162 335 H ALA 44 HN ALA 44 15.251 -6.387 -18.267 336 HA ALA 44 HA ALA 44 15.134 -9.099 -17.490 337 1HB ALA 44 HB1 ALA 44 15.820 -6.613 -15.935 338 2HB ALA 44 HB3 ALA 44 15.989 -8.249 -15.300 339 3HB ALA 44 HB2 ALA 44 16.931 -7.747 -16.703 340 H VAL 45 HN VAL 45 12.817 -6.607 -17.211 341 HA VAL 45 HA VAL 45 11.505 -6.906 -14.876 342 HB VAL 45 HB VAL 45 9.342 -6.525 -16.142 343 1HG1 VAL 45 1HG1 VAL 45 10.721 -4.717 -15.230 344 2HG1 VAL 45 3HG1 VAL 45 11.644 -4.668 -16.733 345 3HG1 VAL 45 2HG1 VAL 45 9.932 -4.244 -16.735 346 1HG2 VAL 45 2HG2 VAL 45 11.235 -6.818 -18.444 347 2HG2 VAL 45 1HG2 VAL 45 9.605 -7.459 -18.247 348 3HG2 VAL 45 3HG2 VAL 45 9.845 -5.741 -18.566 349 H ASP 46 HN ASP 46 10.962 -9.024 -17.703 350 HA ASP 46 HA ASP 46 9.196 -10.737 -16.216 351 1HB ASP 46 HB2 ASP 46 9.040 -10.318 -18.698 352 2HB ASP 46 HB1 ASP 46 10.482 -11.311 -18.888 353 H GLU 47 HN GLU 47 12.610 -10.801 -17.135 354 HA GLU 47 HA GLU 47 13.071 -13.525 -16.453 355 1HB GLU 47 HB2 GLU 47 14.648 -12.437 -17.879 356 2HB GLU 47 HB1 GLU 47 14.911 -11.146 -16.717 357 1HG GLU 47 HG2 GLU 47 15.550 -13.906 -15.849 358 2HG GLU 47 HG1 GLU 47 16.610 -13.161 -17.044 359 H LYS 48 HN LYS 48 13.918 -10.534 -14.689 360 HA LYS 48 HA LYS 48 14.813 -11.714 -12.336 361 1HB LYS 48 HB2 LYS 48 14.966 -9.273 -13.052 362 2HB LYS 48 HB1 LYS 48 13.328 -9.093 -12.437 363 1HG LYS 48 HG2 LYS 48 14.168 -9.923 -10.226 364 2HG LYS 48 HG1 LYS 48 15.801 -9.823 -10.888 365 1HD LYS 48 HD2 LYS 48 15.473 -7.800 -9.727 366 2HD LYS 48 HD1 LYS 48 15.267 -7.397 -11.432 367 1HE LYS 48 HE2 LYS 48 12.773 -8.213 -10.189 368 2HE LYS 48 HE1 LYS 48 13.500 -6.829 -9.373 369 1HZ LYS 48 HZ3 LYS 48 12.963 -6.997 -12.290 370 2HZ LYS 48 HZ2 LYS 48 12.003 -6.169 -11.171 371 3HZ LYS 48 HZ1 LYS 48 13.587 -5.658 -11.466 372 H LEU 49 HN LEU 49 11.555 -11.245 -13.484 373 HA LEU 49 HA LEU 49 10.178 -11.435 -11.032 374 1HB LEU 49 HB2 LEU 49 9.115 -10.660 -13.107 375 2HB LEU 49 HB1 LEU 49 9.288 -12.261 -13.801 376 HG LEU 49 HG LEU 49 7.835 -13.056 -11.819 377 1HD1 LEU 49 1HD1 LEU 49 7.969 -11.010 -10.505 378 2HD1 LEU 49 3HD1 LEU 49 7.190 -10.110 -11.805 379 3HD1 LEU 49 2HD1 LEU 49 6.299 -11.367 -10.945 380 1HD2 LEU 49 3HD2 LEU 49 7.095 -13.027 -14.145 381 2HD2 LEU 49 2HD2 LEU 49 5.792 -12.552 -13.056 382 3HD2 LEU 49 1HD2 LEU 49 6.652 -11.327 -13.989 383 H ARG 50 HN ARG 50 10.511 -13.938 -13.559 384 HA ARG 50 HA ARG 50 9.765 -16.076 -11.872 385 1HB ARG 50 HB2 ARG 50 10.675 -17.534 -13.646 386 2HB ARG 50 HB1 ARG 50 9.623 -16.283 -14.291 387 1HG ARG 50 HG2 ARG 50 11.687 -14.964 -14.836 388 2HG ARG 50 HG1 ARG 50 12.627 -16.392 -14.397 389 1HD ARG 50 HD2 ARG 50 10.408 -16.562 -16.403 390 2HD ARG 50 HD1 ARG 50 12.012 -16.008 -16.878 391 HE ARG 50 HE ARG 50 12.374 -18.383 -15.505 392 1HH1 ARG 50 1HH1 ARG 50 10.756 -17.341 -18.430 393 2HH1 ARG 50 2HH1 ARG 50 10.955 -18.866 -19.227 394 1HH2 ARG 50 1HH2 ARG 50 12.633 -20.387 -16.559 395 2HH2 ARG 50 2HH2 ARG 50 12.019 -20.594 -18.166 396 H ASP 51 HN ASP 51 12.822 -14.510 -12.560 397 HA ASP 51 HA ASP 51 14.624 -16.407 -11.600 398 1HB ASP 51 HB2 ASP 51 15.199 -14.268 -12.784 399 2HB ASP 51 HB1 ASP 51 14.885 -13.411 -11.280 400 H LEU 52 HN LEU 52 13.215 -13.657 -9.817 401 HA LEU 52 HA LEU 52 14.212 -14.541 -7.295 402 1HB LEU 52 HB2 LEU 52 12.458 -12.353 -8.264 403 2HB LEU 52 HB1 LEU 52 12.289 -12.812 -6.582 404 HG LEU 52 HG LEU 52 13.830 -10.924 -6.871 405 1HD1 LEU 52 2HD1 LEU 52 14.102 -12.597 -5.029 406 2HD1 LEU 52 1HD1 LEU 52 15.342 -13.380 -6.009 407 3HD1 LEU 52 3HD1 LEU 52 15.570 -11.721 -5.458 408 1HD2 LEU 52 1HD2 LEU 52 14.638 -11.655 -9.133 409 2HD2 LEU 52 3HD2 LEU 52 15.899 -11.115 -8.024 410 3HD2 LEU 52 2HD2 LEU 52 15.655 -12.838 -8.310 411 H TYR 53 HN TYR 53 11.435 -15.375 -9.156 412 HA TYR 53 HA TYR 53 9.677 -16.083 -7.049 413 1HB TYR 53 HB2 TYR 53 9.671 -16.191 -9.913 414 2HB TYR 53 HB1 TYR 53 9.179 -17.761 -9.287 415 HD1 TYR 53 HD1 TYR 53 8.171 -14.387 -9.939 416 HD2 TYR 53 HD2 TYR 53 7.259 -17.832 -7.615 417 HE1 TYR 53 HE1 TYR 53 5.912 -13.508 -9.534 418 HE2 TYR 53 HE2 TYR 53 4.996 -16.963 -7.204 419 HH TYR 53 HH TYR 53 3.461 -14.993 -8.810 420 H SER 54 HN SER 54 11.927 -18.012 -9.033 421 HA SER 54 HA SER 54 11.443 -20.485 -7.790 422 1HB SER 54 HB2 SER 54 13.988 -19.510 -9.115 423 2HB SER 54 HB1 SER 54 13.588 -21.193 -8.769 424 HG SER 54 HG SER 54 12.639 -19.510 -10.756 425 H LYS 55 HN LYS 55 13.960 -18.043 -7.174 426 HA LYS 55 HA LYS 55 15.241 -19.381 -5.064 427 1HB LYS 55 HB2 LYS 55 16.046 -17.349 -6.395 428 2HB LYS 55 HB1 LYS 55 15.058 -16.383 -5.309 429 1HG LYS 55 HG2 LYS 55 16.348 -17.430 -3.407 430 2HG LYS 55 HG1 LYS 55 17.448 -18.070 -4.629 431 1HD LYS 55 HD2 LYS 55 17.912 -15.801 -5.407 432 2HD LYS 55 HD1 LYS 55 16.794 -15.154 -4.206 433 1HE LYS 55 HE2 LYS 55 18.823 -14.883 -3.144 434 2HE LYS 55 HE1 LYS 55 18.297 -16.443 -2.513 435 1HZ LYS 55 HZ2 LYS 55 20.179 -16.055 -4.780 436 2HZ LYS 55 HZ1 LYS 55 20.620 -16.475 -3.203 437 3HZ LYS 55 HZ3 LYS 55 19.698 -17.543 -4.135 438 H SER 56 HN SER 56 12.635 -16.955 -5.031 439 HA SER 56 HA SER 56 12.438 -16.711 -2.240 440 1HB SER 56 HB2 SER 56 10.290 -15.649 -2.625 441 2HB SER 56 HB1 SER 56 11.438 -15.108 -3.847 442 HG SER 56 HG SER 56 9.141 -16.618 -4.115 443 H THR 57 HN THR 57 10.582 -18.820 -4.470 444 HA THR 57 HA THR 57 8.870 -19.920 -2.561 445 HB THR 57 HB THR 57 8.757 -21.897 -4.158 446 HG1 THR 57 HG1 THR 57 10.609 -21.944 -5.239 447 1HG2 THR 57 2HG2 THR 57 8.287 -19.103 -5.132 448 2HG2 THR 57 1HG2 THR 57 7.859 -20.526 -6.083 449 3HG2 THR 57 3HG2 THR 57 7.117 -20.265 -4.505 450 H ALA 58 HN ALA 58 12.177 -20.811 -3.425 451 HA ALA 58 HA ALA 58 12.229 -23.236 -1.934 452 1HB ALA 58 HB3 ALA 58 14.674 -23.107 -2.225 453 2HB ALA 58 HB2 ALA 58 13.799 -22.872 -3.738 454 3HB ALA 58 HB1 ALA 58 14.490 -21.486 -2.896 455 H ALA 59 HN ALA 59 13.670 -20.029 -1.274 456 HA ALA 59 HA ALA 59 14.529 -20.617 1.339 457 1HB ALA 59 HB1 ALA 59 14.761 -18.193 1.613 458 2HB ALA 59 HB2 ALA 59 13.850 -17.941 0.124 459 3HB ALA 59 HB3 ALA 59 15.420 -18.744 0.072 460 H MET 60 HN MET 60 11.542 -19.093 0.160 461 HA MET 60 HA MET 60 10.441 -18.450 2.657 462 1HB MET 60 HB2 MET 60 9.203 -18.943 -0.038 463 2HB MET 60 HB1 MET 60 8.224 -18.547 1.366 464 1HG MET 60 HG2 MET 60 10.457 -16.845 0.284 465 2HG MET 60 HG1 MET 60 8.742 -16.593 -0.032 466 1HE MET 60 HE1 MET 60 11.640 -16.549 2.264 467 2HE MET 60 HE3 MET 60 11.397 -14.820 2.017 468 3HE MET 60 HE2 MET 60 11.176 -15.521 3.621 469 H SER 61 HN SER 61 10.896 -21.550 1.286 470 HA SER 61 HA SER 61 8.610 -22.865 2.323 471 1HB SER 61 HB2 SER 61 10.361 -23.689 0.576 472 2HB SER 61 HB1 SER 61 11.256 -24.250 1.988 473 HG SER 61 HG SER 61 8.882 -25.181 0.897 474 H THR 62 HN THR 62 11.431 -21.640 3.828 475 HA THR 62 HA THR 62 10.995 -23.263 6.236 476 HB THR 62 HB THR 62 13.324 -21.431 5.631 477 HG1 THR 62 HG1 THR 62 13.713 -22.971 4.222 478 1HG2 THR 62 1HG2 THR 62 12.989 -23.615 7.671 479 2HG2 THR 62 3HG2 THR 62 14.502 -22.785 7.310 480 3HG2 THR 62 2HG2 THR 62 13.143 -21.887 7.984 481 H TYR 63 HN TYR 63 11.500 -19.896 5.189 482 HA TYR 63 HA TYR 63 10.943 -18.697 7.662 483 1HB TYR 63 HB2 TYR 63 10.693 -17.528 4.882 484 2HB TYR 63 HB1 TYR 63 10.742 -16.609 6.383 485 HD1 TYR 63 HD1 TYR 63 12.653 -17.722 3.684 486 HD2 TYR 63 HD2 TYR 63 12.881 -17.154 7.895 487 HE1 TYR 63 HE1 TYR 63 15.104 -17.624 3.532 488 HE2 TYR 63 HE2 TYR 63 15.333 -17.053 7.754 489 HH TYR 63 HH TYR 63 17.016 -16.372 5.398 490 H THR 64 HN THR 64 8.850 -20.150 5.340 491 HA THR 64 HA THR 64 6.564 -18.540 5.872 492 HB THR 64 HB THR 64 7.005 -21.184 4.546 493 HG1 THR 64 HG1 THR 64 7.107 -19.536 3.153 494 1HG2 THR 64 3HG2 THR 64 4.330 -20.178 5.455 495 2HG2 THR 64 2HG2 THR 64 4.524 -21.245 4.065 496 3HG2 THR 64 1HG2 THR 64 5.031 -21.781 5.666 497 H GLY 65 HN GLY 65 7.420 -21.822 6.953 498 1HA GLY 65 HA1 GLY 65 6.830 -22.964 8.862 499 2HA GLY 65 HA2 GLY 65 5.371 -21.978 8.901 500 H ILE 66 HN ILE 66 8.712 -20.854 8.981 501 HA ILE 66 HA ILE 66 8.922 -20.466 11.774 502 HB ILE 66 HB ILE 66 10.400 -19.183 9.475 503 1HG1 ILE 66 2HG1 ILE 66 10.730 -21.628 9.889 504 2HG1 ILE 66 1HG1 ILE 66 12.199 -20.675 10.072 505 1HG2 ILE 66 1HG2 ILE 66 10.711 -18.775 12.430 506 2HG2 ILE 66 3HG2 ILE 66 12.072 -18.572 11.326 507 3HG2 ILE 66 2HG2 ILE 66 10.633 -17.571 11.143 508 1HD1 ILE 66 2HD1 ILE 66 10.477 -21.510 12.389 509 2HD1 ILE 66 1HD1 ILE 66 11.837 -22.458 11.789 510 3HD1 ILE 66 3HD1 ILE 66 12.108 -20.839 12.434 511 H PHE 67 HN PHE 67 8.465 -18.043 9.189 512 HA PHE 67 HA PHE 67 7.961 -15.829 10.767 513 1HB PHE 67 HB2 PHE 67 8.252 -15.690 8.336 514 2HB PHE 67 HB1 PHE 67 6.698 -16.482 8.094 515 HD1 PHE 67 HD1 PHE 67 4.671 -15.267 8.204 516 HD2 PHE 67 HD2 PHE 67 8.337 -13.411 9.312 517 HE1 PHE 67 HE1 PHE 67 3.551 -13.077 8.227 518 HE2 PHE 67 HE2 PHE 67 7.224 -11.217 9.338 519 HZ PHE 67 HZ PHE 67 4.827 -11.049 8.795 520 H THR 68 HN THR 68 5.503 -17.973 9.332 521 HA THR 68 HA THR 68 3.317 -16.808 10.661 522 HB THR 68 HB THR 68 3.500 -19.628 9.598 523 HG1 THR 68 HG1 THR 68 3.827 -18.619 7.785 524 1HG2 THR 68 1HG2 THR 68 1.182 -17.815 10.163 525 2HG2 THR 68 3HG2 THR 68 1.072 -19.164 9.032 526 3HG2 THR 68 2HG2 THR 68 1.458 -19.463 10.727 527 H ASP 69 HN ASP 69 5.722 -18.955 11.803 528 HA ASP 69 HA ASP 69 4.317 -20.427 13.722 529 1HB ASP 69 HB2 ASP 69 6.960 -20.229 12.998 530 2HB ASP 69 HB1 ASP 69 6.971 -19.535 14.615 531 H GLN 70 HN GLN 70 6.144 -17.398 14.240 532 HA GLN 70 HA GLN 70 5.090 -16.984 16.849 533 1HB GLN 70 HB2 GLN 70 7.272 -16.072 15.995 534 2HB GLN 70 HB1 GLN 70 6.351 -14.921 15.036 535 1HG GLN 70 HG2 GLN 70 7.200 -13.948 17.118 536 2HG GLN 70 HG1 GLN 70 5.440 -13.922 17.033 537 1HE2 GLN 70 1HE2 GLN 70 8.163 -15.760 18.347 538 2HE2 GLN 70 2HE2 GLN 70 7.335 -16.313 19.759 539 H VAL 71 HN VAL 71 3.966 -16.183 13.671 540 HA VAL 71 HA VAL 71 2.222 -14.047 14.369 541 HB VAL 71 HB VAL 71 2.096 -15.967 12.028 542 1HG1 VAL 71 1HG1 VAL 71 0.537 -13.466 12.630 543 2HG1 VAL 71 3HG1 VAL 71 0.702 -14.117 11.000 544 3HG1 VAL 71 2HG1 VAL 71 -0.079 -15.075 12.258 545 1HG2 VAL 71 2HG2 VAL 71 4.070 -14.251 12.438 546 2HG2 VAL 71 1HG2 VAL 71 3.407 -14.533 10.830 547 3HG2 VAL 71 3HG2 VAL 71 2.903 -13.119 11.755 548 H LEU 72 HN LEU 72 1.674 -17.484 13.689 549 HA LEU 72 HA LEU 72 -1.020 -17.613 14.439 550 1HB LEU 72 HB2 LEU 72 0.487 -19.376 13.266 551 2HB LEU 72 HB1 LEU 72 0.905 -19.877 14.893 552 HG LEU 72 HG LEU 72 -1.988 -19.672 14.365 553 1HD1 LEU 72 3HD1 LEU 72 -1.231 -20.546 12.217 554 2HD1 LEU 72 2HD1 LEU 72 -0.329 -21.816 13.046 555 3HD1 LEU 72 1HD1 LEU 72 -2.089 -21.779 13.142 556 1HD2 LEU 72 2HD2 LEU 72 -0.222 -21.780 15.606 557 2HD2 LEU 72 1HD2 LEU 72 -1.106 -20.520 16.467 558 3HD2 LEU 72 3HD2 LEU 72 -1.986 -21.785 15.607 559 H SER 73 HN SER 73 1.975 -17.752 16.270 560 HA SER 73 HA SER 73 0.960 -18.635 18.726 561 1HB SER 73 HB2 SER 73 3.414 -18.303 18.060 562 2HB SER 73 HB1 SER 73 3.179 -16.605 18.474 563 HG SER 73 HG SER 73 3.905 -17.552 20.310 564 H VAL 74 HN VAL 74 1.040 -15.434 17.284 565 HA VAL 74 HA VAL 74 0.084 -14.062 19.603 566 HB VAL 74 HB VAL 74 -0.100 -13.175 16.716 567 1HG1 VAL 74 3HG1 VAL 74 -0.427 -11.763 19.341 568 2HG1 VAL 74 2HG1 VAL 74 0.049 -10.888 17.885 569 3HG1 VAL 74 1HG1 VAL 74 -1.487 -11.751 17.932 570 1HG2 VAL 74 1HG2 VAL 74 2.190 -13.481 18.455 571 2HG2 VAL 74 3HG2 VAL 74 2.124 -13.075 16.740 572 3HG2 VAL 74 2HG2 VAL 74 1.980 -11.804 17.953 573 H LEU 75 HN LEU 75 -1.405 -16.027 17.207 574 HA LEU 75 HA LEU 75 -4.003 -14.909 17.191 575 1HB LEU 75 HB2 LEU 75 -2.923 -16.715 15.647 576 2HB LEU 75 HB1 LEU 75 -3.515 -17.842 16.852 577 HG LEU 75 HG LEU 75 -5.814 -16.744 16.478 578 1HD1 LEU 75 2HD1 LEU 75 -5.030 -14.797 15.244 579 2HD1 LEU 75 1HD1 LEU 75 -4.396 -15.844 13.974 580 3HD1 LEU 75 3HD1 LEU 75 -6.134 -15.760 14.264 581 1HD2 LEU 75 3HD2 LEU 75 -4.526 -18.388 14.301 582 2HD2 LEU 75 2HD2 LEU 75 -5.269 -19.009 15.775 583 3HD2 LEU 75 1HD2 LEU 75 -6.261 -18.202 14.560 584 H LYS 76 HN LYS 76 -2.362 -17.162 19.273 585 HA LYS 76 HA LYS 76 -4.657 -18.011 20.740 586 1HB LYS 76 HB2 LYS 76 -2.542 -19.306 20.624 587 2HB LYS 76 HB1 LYS 76 -1.747 -18.056 21.568 588 1HG LYS 76 HG2 LYS 76 -4.189 -19.271 22.720 589 2HG LYS 76 HG1 LYS 76 -2.739 -20.272 22.650 590 1HD LYS 76 HD2 LYS 76 -2.870 -17.518 23.880 591 2HD LYS 76 HD1 LYS 76 -2.979 -19.028 24.785 592 1HE LYS 76 HE2 LYS 76 -0.761 -18.991 24.947 593 2HE LYS 76 HE1 LYS 76 -0.696 -19.305 23.213 594 1HZ LYS 76 HZ1 LYS 76 -0.870 -16.577 24.368 595 2HZ LYS 76 HZ3 LYS 76 0.596 -17.332 23.986 596 3HZ LYS 76 HZ2 LYS 76 -0.526 -16.998 22.765 597 H GLY 77 HN GLY 77 -2.030 -15.696 21.469 598 1HA GLY 77 HA1 GLY 77 -1.937 -13.922 22.925 599 2HA GLY 77 HA2 GLY 77 -3.042 -14.827 23.948 600 H GLU 78 HN GLU 78 -3.581 -13.603 20.664 601 HA GLU 78 HA GLU 78 -5.086 -11.328 21.407 602 1HB GLU 78 HB2 GLU 78 -4.317 -11.161 19.245 603 2HB GLU 78 HB1 GLU 78 -4.609 -12.857 18.893 604 1HG GLU 78 HG2 GLU 78 -6.969 -11.109 19.318 605 2HG GLU 78 HG1 GLU 78 -6.054 -10.918 17.825 606 H GLU 79 HN GLU 79 -6.043 -14.627 20.482 607 HA GLU 79 HA GLU 79 -8.839 -14.139 20.630 608 1HB GLU 79 HB2 GLU 79 -7.745 -16.014 19.363 609 2HB GLU 79 HB1 GLU 79 -7.430 -16.799 20.904 610 1HG GLU 79 HG2 GLU 79 -10.210 -16.005 20.140 611 2HG GLU 79 HG1 GLU 79 -9.495 -17.495 19.527 No H/Q in entry = 611 Start of MODEL 57 1 H1 THR 1 HT3 THR 1 27.136 -15.850 27.983 2 H2 THR 1 HT2 THR 1 26.227 -17.202 28.524 3 H3 THR 1 HT1 THR 1 27.509 -17.419 27.403 4 HA THR 1 HA THR 1 26.341 -16.179 25.763 5 HB THR 1 HB THR 1 24.640 -18.344 27.028 6 HG1 THR 1 HG1 THR 1 26.374 -19.475 26.675 7 1HG2 THR 1 3HG2 THR 1 24.856 -17.427 24.172 8 2HG2 THR 1 2HG2 THR 1 24.051 -18.906 24.697 9 3HG2 THR 1 1HG2 THR 1 23.439 -17.336 25.219 10 H GLN 2 HN GLN 2 25.082 -14.479 25.404 11 HA GLN 2 HA GLN 2 23.451 -12.911 25.572 12 1HB GLN 2 HB2 GLN 2 22.024 -15.058 25.833 13 2HB GLN 2 HB1 GLN 2 21.957 -14.628 27.536 14 1HG GLN 2 HG2 GLN 2 21.186 -12.659 25.417 15 2HG GLN 2 HG1 GLN 2 20.049 -13.878 25.991 16 1HE2 GLN 2 1HE2 GLN 2 21.469 -10.852 26.583 17 2HE2 GLN 2 2HE2 GLN 2 20.770 -10.559 28.135 18 H GLN 3 HN GLN 3 24.209 -11.161 26.562 19 HA GLN 3 HA GLN 3 24.265 -11.144 29.509 20 1HB GLN 3 HB2 GLN 3 26.122 -9.520 29.372 21 2HB GLN 3 HB1 GLN 3 26.536 -11.074 28.664 22 1HG GLN 3 HG2 GLN 3 26.962 -10.164 26.687 23 2HG GLN 3 HG1 GLN 3 25.447 -9.263 26.689 24 1HE2 GLN 3 1HE2 GLN 3 25.535 -7.409 28.433 25 2HE2 GLN 3 2HE2 GLN 3 26.934 -6.403 28.323 26 HA PRO 4 HA PRO 4 21.444 -7.744 29.125 27 1HB PRO 4 HB2 PRO 4 21.447 -6.875 31.666 28 2HB PRO 4 HB1 PRO 4 20.742 -8.432 31.216 29 1HG PRO 4 HG2 PRO 4 23.403 -7.843 32.448 30 2HG PRO 4 HG1 PRO 4 22.253 -9.137 32.832 31 1HD PRO 4 HD2 PRO 4 24.476 -9.472 31.254 32 2HD PRO 4 HD1 PRO 4 23.020 -10.479 31.146 33 H GLN 5 HN GLN 5 23.081 -6.630 27.722 34 HA GLN 5 HA GLN 5 24.899 -4.762 28.887 35 1HB GLN 5 HB2 GLN 5 25.085 -3.868 26.548 36 2HB GLN 5 HB1 GLN 5 25.436 -5.581 26.714 37 1HG GLN 5 HG2 GLN 5 22.747 -5.558 26.137 38 2HG GLN 5 HG1 GLN 5 23.380 -4.232 25.163 39 1HE2 GLN 5 1HE2 GLN 5 24.092 -7.610 26.007 40 2HE2 GLN 5 2HE2 GLN 5 24.645 -8.062 24.435 41 H GLN 6 HN GLN 6 21.672 -4.472 27.423 42 HA GLN 6 HA GLN 6 21.510 -1.652 27.650 43 1HB GLN 6 HB2 GLN 6 20.014 -3.559 26.404 44 2HB GLN 6 HB1 GLN 6 18.975 -3.159 27.764 45 1HG GLN 6 HG2 GLN 6 19.753 -0.692 26.821 46 2HG GLN 6 HG1 GLN 6 19.565 -1.650 25.353 47 1HE2 GLN 6 1HE2 GLN 6 17.551 -2.231 24.684 48 2HE2 GLN 6 2HE2 GLN 6 16.096 -1.730 25.470 49 H ASP 7 HN ASP 7 19.648 -0.625 28.991 50 HA ASP 7 HA ASP 7 20.247 -1.037 31.746 51 1HB ASP 7 HB2 ASP 7 19.361 1.091 30.331 52 2HB ASP 7 HB1 ASP 7 17.844 0.546 31.038 53 H GLU 8 HN GLU 8 18.014 -0.831 33.198 54 HA GLU 8 HA GLU 8 16.943 -3.467 33.154 55 1HB GLU 8 HB2 GLU 8 16.074 -1.047 34.750 56 2HB GLU 8 HB1 GLU 8 15.554 -2.699 35.049 57 1HG GLU 8 HG2 GLU 8 17.212 -2.534 36.591 58 2HG GLU 8 HG1 GLU 8 18.147 -3.128 35.220 59 H MET 9 HN MET 9 15.527 -0.258 32.523 60 HA MET 9 HA MET 9 12.971 -1.255 31.776 61 1HB MET 9 HB2 MET 9 13.666 1.138 32.513 62 2HB MET 9 HB1 MET 9 14.083 1.371 30.822 63 1HG MET 9 HG2 MET 9 11.551 0.298 30.705 64 2HG MET 9 HG1 MET 9 11.488 1.344 32.122 65 1HE MET 9 HE1 MET 9 11.550 1.016 28.354 66 2HE MET 9 HE3 MET 9 12.041 2.598 27.749 67 3HE MET 9 HE2 MET 9 13.228 1.535 28.504 68 HA PRO 10 HA PRO 10 14.060 -2.755 27.722 69 1HB PRO 10 HB2 PRO 10 11.531 -3.022 26.736 70 2HB PRO 10 HB1 PRO 10 12.260 -4.166 27.868 71 1HG PRO 10 HG2 PRO 10 10.366 -1.913 28.411 72 2HG PRO 10 HG1 PRO 10 10.361 -3.562 29.065 73 1HD PRO 10 HD2 PRO 10 11.309 -1.467 30.471 74 2HD PRO 10 HD1 PRO 10 12.014 -3.090 30.608 75 H SER 11 HN SER 11 15.004 -0.621 27.234 76 HA SER 11 HA SER 11 13.419 1.429 26.031 77 1HB SER 11 HB2 SER 11 16.414 0.995 25.884 78 2HB SER 11 HB1 SER 11 15.560 2.484 25.480 79 HG SER 11 HG SER 11 16.133 1.373 27.967 80 HA PRO 12 HA PRO 12 13.260 -0.031 21.863 81 1HB PRO 12 HB2 PRO 12 13.104 2.269 20.472 82 2HB PRO 12 HB1 PRO 12 11.794 1.721 21.522 83 1HG PRO 12 HG2 PRO 12 13.915 3.764 22.049 84 2HG PRO 12 HG1 PRO 12 12.186 3.822 22.434 85 1HD PRO 12 HD2 PRO 12 14.124 3.177 24.254 86 2HD PRO 12 HD1 PRO 12 12.450 2.602 24.356 87 H THR 13 HN THR 13 15.579 -0.794 22.211 88 HA THR 13 HA THR 13 17.722 0.771 21.162 89 HB THR 13 HB THR 13 18.035 -1.039 22.834 90 HG1 THR 13 HG1 THR 13 19.470 -1.475 20.426 91 1HG2 THR 13 1HG2 THR 13 16.477 -2.689 21.764 92 2HG2 THR 13 3HG2 THR 13 17.741 -2.989 20.571 93 3HG2 THR 13 2HG2 THR 13 18.038 -3.330 22.275 94 H PHE 14 HN PHE 14 15.609 -1.733 19.828 95 HA PHE 14 HA PHE 14 16.981 -2.112 17.394 96 1HB PHE 14 HB2 PHE 14 15.066 -3.510 18.448 97 2HB PHE 14 HB1 PHE 14 13.994 -2.368 17.643 98 HD1 PHE 14 HD1 PHE 14 16.271 -5.163 17.222 99 HD2 PHE 14 HD2 PHE 14 13.927 -2.247 15.191 100 HE1 PHE 14 HE1 PHE 14 16.463 -6.462 15.141 101 HE2 PHE 14 HE2 PHE 14 14.114 -3.543 13.109 102 HZ PHE 14 HZ PHE 14 15.383 -5.653 13.082 103 H LEU 15 HN LEU 15 14.392 0.118 18.344 104 HA LEU 15 HA LEU 15 13.902 1.221 15.801 105 1HB LEU 15 HB2 LEU 15 13.266 1.899 18.589 106 2HB LEU 15 HB1 LEU 15 13.365 3.284 17.521 107 HG LEU 15 HG LEU 15 11.070 2.464 17.725 108 1HD1 LEU 15 3HD1 LEU 15 11.912 3.509 15.615 109 2HD1 LEU 15 2HD1 LEU 15 12.129 1.883 14.967 110 3HD1 LEU 15 1HD1 LEU 15 10.517 2.450 15.408 111 1HD2 LEU 15 2HD2 LEU 15 11.689 0.081 18.114 112 2HD2 LEU 15 1HD2 LEU 15 10.400 0.308 16.933 113 3HD2 LEU 15 3HD2 LEU 15 12.036 -0.060 16.390 114 H THR 16 HN THR 16 16.149 2.157 18.383 115 HA THR 16 HA THR 16 17.105 4.536 17.274 116 HB THR 16 HB THR 16 18.677 2.539 18.919 117 HG1 THR 16 HG1 THR 16 17.190 3.001 20.330 118 1HG2 THR 16 2HG2 THR 16 19.022 5.502 18.542 119 2HG2 THR 16 1HG2 THR 16 19.828 4.549 19.788 120 3HG2 THR 16 3HG2 THR 16 20.150 4.225 18.084 121 H GLN 17 HN GLN 17 18.154 1.182 16.767 122 HA GLN 17 HA GLN 17 20.395 1.733 15.161 123 1HB GLN 17 HB2 GLN 17 19.579 -0.503 16.246 124 2HB GLN 17 HB1 GLN 17 18.710 -0.712 14.733 125 1HG GLN 17 HG2 GLN 17 21.670 -0.212 14.887 126 2HG GLN 17 HG1 GLN 17 20.951 -1.820 14.858 127 1HE2 GLN 17 1HE2 GLN 17 22.203 0.645 12.999 128 2HE2 GLN 17 2HE2 GLN 17 21.596 0.155 11.458 129 H VAL 18 HN VAL 18 17.070 0.854 14.235 130 HA VAL 18 HA VAL 18 16.972 0.720 11.603 131 HB VAL 18 HB VAL 18 15.155 2.535 13.193 132 1HG1 VAL 18 3HG1 VAL 18 14.947 1.431 10.409 133 2HG1 VAL 18 2HG1 VAL 18 13.517 1.890 11.335 134 3HG1 VAL 18 1HG1 VAL 18 14.747 3.095 10.956 135 1HG2 VAL 18 3HG2 VAL 18 15.366 -0.387 12.871 136 2HG2 VAL 18 2HG2 VAL 18 14.693 0.566 14.193 137 3HG2 VAL 18 1HG2 VAL 18 13.740 0.281 12.738 138 H LYS 19 HN LYS 19 17.151 3.912 13.204 139 HA LYS 19 HA LYS 19 17.151 5.530 10.973 140 1HB LYS 19 HB2 LYS 19 18.577 5.871 13.608 141 2HB LYS 19 HB1 LYS 19 18.521 7.132 12.387 142 1HG LYS 19 HG2 LYS 19 16.635 7.823 13.319 143 2HG LYS 19 HG1 LYS 19 15.872 6.353 12.707 144 1HD LYS 19 HD2 LYS 19 16.481 5.189 14.781 145 2HD LYS 19 HD1 LYS 19 17.221 6.671 15.390 146 1HE LYS 19 HE2 LYS 19 15.226 7.636 15.851 147 2HE LYS 19 HE1 LYS 19 14.426 6.895 14.465 148 1HZ LYS 19 HZ1 LYS 19 15.136 5.458 16.966 149 2HZ LYS 19 HZ3 LYS 19 13.600 6.072 16.613 150 3HZ LYS 19 HZ2 LYS 19 14.256 4.837 15.663 151 H GLU 20 HN GLU 20 20.033 4.207 12.602 152 HA GLU 20 HA GLU 20 21.889 5.205 10.729 153 1HB GLU 20 HB2 GLU 20 22.071 2.879 12.645 154 2HB GLU 20 HB1 GLU 20 23.428 3.464 11.695 155 1HG GLU 20 HG2 GLU 20 23.800 4.553 13.659 156 2HG GLU 20 HG1 GLU 20 22.827 5.755 12.813 157 H SER 21 HN SER 21 19.924 2.333 10.812 158 HA SER 21 HA SER 21 21.272 0.821 8.851 159 1HB SER 21 HB2 SER 21 19.618 -0.696 9.161 160 2HB SER 21 HB1 SER 21 19.134 0.354 10.491 161 HG SER 21 HG SER 21 17.496 1.117 9.318 162 H LEU 22 HN LEU 22 18.700 3.239 8.630 163 HA LEU 22 HA LEU 22 18.308 2.982 5.820 164 1HB LEU 22 HB2 LEU 22 17.641 5.275 7.670 165 2HB LEU 22 HB1 LEU 22 17.055 5.095 6.027 166 HG LEU 22 HG LEU 22 16.484 2.826 7.830 167 1HD1 LEU 22 1HD1 LEU 22 15.113 5.488 8.177 168 2HD1 LEU 22 3HD1 LEU 22 14.601 3.961 8.896 169 3HD1 LEU 22 2HD1 LEU 22 16.140 4.683 9.363 170 1HD2 LEU 22 1HD2 LEU 22 15.689 2.942 5.509 171 2HD2 LEU 22 3HD2 LEU 22 14.357 2.882 6.662 172 3HD2 LEU 22 2HD2 LEU 22 14.793 4.411 5.899 173 H SER 23 HN SER 23 20.317 5.063 7.855 174 HA SER 23 HA SER 23 21.153 6.882 5.903 175 1HB SER 23 HB2 SER 23 22.733 5.876 8.284 176 2HB SER 23 HB1 SER 23 23.050 7.359 7.384 177 HG SER 23 HG SER 23 21.111 6.811 9.276 178 H SER 24 HN SER 24 22.790 3.924 7.036 179 HA SER 24 HA SER 24 24.853 3.994 5.110 180 1HB SER 24 HB2 SER 24 23.714 1.700 6.720 181 2HB SER 24 HB1 SER 24 25.156 1.571 5.713 182 HG SER 24 HG SER 24 24.780 2.902 8.133 183 H TYR 25 HN TYR 25 21.539 3.146 4.856 184 HA TYR 25 HA TYR 25 21.821 1.353 2.625 185 1HB TYR 25 HB2 TYR 25 19.889 1.320 4.250 186 2HB TYR 25 HB1 TYR 25 19.327 2.815 3.511 187 HD1 TYR 25 HD1 TYR 25 19.755 -0.795 3.049 188 HD2 TYR 25 HD2 TYR 25 18.357 2.816 1.286 189 HE1 TYR 25 HE1 TYR 25 18.562 -2.099 1.341 190 HE2 TYR 25 HE2 TYR 25 17.158 1.523 -0.428 191 HH TYR 25 HH TYR 25 16.233 -1.298 -0.294 192 H TRP 26 HN TRP 26 20.979 4.768 3.079 193 HA TRP 26 HA TRP 26 20.364 5.343 0.391 194 1HB TRP 26 HB2 TRP 26 19.726 6.828 2.237 195 2HB TRP 26 HB1 TRP 26 21.421 7.189 2.545 196 HD1 TRP 26 HD1 TRP 26 22.020 9.503 1.660 197 HE1 TRP 26 HE1 TRP 26 21.367 10.940 -0.372 198 HE3 TRP 26 HE3 TRP 26 18.694 6.314 -0.556 199 HZ2 TRP 26 HZ2 TRP 26 19.667 10.747 -2.618 200 HZ3 TRP 26 HZ3 TRP 26 17.599 7.016 -2.644 201 HH2 TRP 26 HH2 TRP 26 18.076 9.187 -3.652 202 H GLU 27 HN GLU 27 23.392 5.353 2.177 203 HA GLU 27 HA GLU 27 25.155 6.691 0.621 204 1HB GLU 27 HB2 GLU 27 25.336 4.312 2.348 205 2HB GLU 27 HB1 GLU 27 26.630 4.456 1.167 206 1HG GLU 27 HG2 GLU 27 27.641 6.014 2.366 207 2HG GLU 27 HG1 GLU 27 26.172 6.986 2.442 208 H SER 28 HN SER 28 24.361 3.253 0.150 209 HA SER 28 HA SER 28 25.482 3.335 -2.540 210 1HB SER 28 HB2 SER 28 25.029 0.869 -2.508 211 2HB SER 28 HB1 SER 28 26.099 1.415 -1.217 212 HG SER 28 HG SER 28 23.466 0.484 -1.082 213 H ALA 29 HN ALA 29 22.452 3.796 -1.071 214 HA ALA 29 HA ALA 29 20.704 2.567 -2.897 215 1HB ALA 29 HB1 ALA 29 19.934 3.451 -0.768 216 2HB ALA 29 HB3 ALA 29 20.276 5.094 -1.313 217 3HB ALA 29 HB2 ALA 29 19.014 4.148 -2.100 218 H LYS 30 HN LYS 30 22.409 5.652 -3.058 219 HA LYS 30 HA LYS 30 21.017 6.886 -5.105 220 1HB LYS 30 HB2 LYS 30 23.190 8.028 -5.663 221 2HB LYS 30 HB1 LYS 30 22.709 8.128 -3.977 222 1HG LYS 30 HG2 LYS 30 24.822 7.529 -3.568 223 2HG LYS 30 HG1 LYS 30 24.258 5.900 -3.941 224 1HD LYS 30 HD2 LYS 30 26.062 6.015 -5.342 225 2HD LYS 30 HD1 LYS 30 24.813 6.653 -6.413 226 1HE LYS 30 HE2 LYS 30 25.476 8.955 -5.589 227 2HE LYS 30 HE1 LYS 30 26.878 8.183 -4.848 228 1HZ LYS 30 HZ3 LYS 30 27.525 7.375 -7.048 229 2HZ LYS 30 HZ2 LYS 30 26.204 8.171 -7.742 230 3HZ LYS 30 HZ1 LYS 30 27.438 9.065 -7.009 231 H THR 31 HN THR 31 23.728 4.603 -5.428 232 HA THR 31 HA THR 31 24.031 4.560 -8.164 233 HB THR 31 HB THR 31 24.069 2.060 -6.464 234 HG1 THR 31 HG1 THR 31 25.476 3.097 -5.306 235 1HG2 THR 31 1HG2 THR 31 25.719 2.896 -8.838 236 2HG2 THR 31 3HG2 THR 31 25.967 1.435 -7.881 237 3HG2 THR 31 2HG2 THR 31 24.480 1.640 -8.804 238 H ALA 32 HN ALA 32 21.622 2.982 -6.147 239 HA ALA 32 HA ALA 32 20.379 1.432 -8.149 240 1HB ALA 32 HB1 ALA 32 18.791 2.565 -5.891 241 2HB ALA 32 HB3 ALA 32 18.757 0.948 -6.591 242 3HB ALA 32 HB2 ALA 32 20.093 1.428 -5.546 243 H ALA 33 HN ALA 33 19.769 4.741 -6.980 244 HA ALA 33 HA ALA 33 17.471 5.354 -8.367 245 1HB ALA 33 HB2 ALA 33 18.750 6.813 -6.725 246 2HB ALA 33 HB1 ALA 33 19.728 7.317 -8.103 247 3HB ALA 33 HB3 ALA 33 17.993 7.634 -8.090 248 H GLN 34 HN GLN 34 20.789 5.856 -9.561 249 HA GLN 34 HA GLN 34 19.983 6.630 -12.159 250 1HB GLN 34 HB2 GLN 34 22.596 5.413 -11.230 251 2HB GLN 34 HB1 GLN 34 22.337 6.162 -12.799 252 1HG GLN 34 HG2 GLN 34 22.543 8.233 -11.984 253 2HG GLN 34 HG1 GLN 34 21.619 7.862 -10.528 254 1HE2 GLN 34 1HE2 GLN 34 22.722 6.815 -8.774 255 2HE2 GLN 34 2HE2 GLN 34 24.424 7.025 -8.574 256 H ASN 35 HN ASN 35 20.783 3.542 -10.671 257 HA ASN 35 HA ASN 35 20.774 1.969 -13.010 258 1HB ASN 35 HB2 ASN 35 21.602 1.302 -10.686 259 2HB ASN 35 HB1 ASN 35 19.915 0.979 -10.293 260 1HD2 ASN 35 1HD2 ASN 35 22.381 0.211 -12.728 261 2HD2 ASN 35 2HD2 ASN 35 21.872 -1.421 -12.973 262 H LEU 36 HN LEU 36 18.204 3.299 -11.128 263 HA LEU 36 HA LEU 36 16.077 1.622 -11.805 264 1HB LEU 36 HB2 LEU 36 16.212 3.736 -10.227 265 2HB LEU 36 HB1 LEU 36 15.693 4.589 -11.667 266 HG LEU 36 HG LEU 36 13.776 2.832 -11.727 267 1HD1 LEU 36 1HD1 LEU 36 14.610 2.685 -8.834 268 2HD1 LEU 36 3HD1 LEU 36 13.113 2.040 -9.506 269 3HD1 LEU 36 2HD1 LEU 36 14.665 1.366 -10.005 270 1HD2 LEU 36 3HD2 LEU 36 13.462 5.221 -11.339 271 2HD2 LEU 36 2HD2 LEU 36 12.404 4.265 -10.300 272 3HD2 LEU 36 1HD2 LEU 36 13.863 5.004 -9.635 273 H TYR 37 HN TYR 37 17.446 4.463 -13.362 274 HA TYR 37 HA TYR 37 15.753 4.479 -15.638 275 1HB TYR 37 HB2 TYR 37 18.396 5.704 -14.949 276 2HB TYR 37 HB1 TYR 37 17.893 5.685 -16.635 277 HD1 TYR 37 HD1 TYR 37 17.166 7.016 -13.293 278 HD2 TYR 37 HD2 TYR 37 16.056 7.054 -17.400 279 HE1 TYR 37 HE1 TYR 37 15.802 9.026 -12.900 280 HE2 TYR 37 HE2 TYR 37 14.691 9.064 -17.019 281 HH TYR 37 HH TYR 37 14.951 11.075 -14.812 282 H GLU 38 HN GLU 38 18.814 2.914 -14.851 283 HA GLU 38 HA GLU 38 19.477 1.911 -17.378 284 1HB GLU 38 HB2 GLU 38 20.199 1.222 -14.590 285 2HB GLU 38 HB1 GLU 38 20.484 -0.023 -15.796 286 1HG GLU 38 HG2 GLU 38 22.494 1.134 -15.681 287 2HG GLU 38 HG1 GLU 38 21.707 1.782 -17.119 288 H LYS 39 HN LYS 39 17.798 0.207 -14.750 289 HA LYS 39 HA LYS 39 17.218 -2.132 -16.134 290 1HB LYS 39 HB2 LYS 39 16.874 -1.374 -13.603 291 2HB LYS 39 HB1 LYS 39 15.223 -1.138 -14.163 292 1HG LYS 39 HG2 LYS 39 15.968 -3.640 -15.141 293 2HG LYS 39 HG1 LYS 39 16.612 -3.572 -13.501 294 1HD LYS 39 HD2 LYS 39 14.498 -4.361 -13.085 295 2HD LYS 39 HD1 LYS 39 14.221 -2.625 -12.947 296 1HE LYS 39 HE2 LYS 39 12.463 -3.556 -14.274 297 2HE LYS 39 HE1 LYS 39 13.510 -2.615 -15.333 298 1HZ LYS 39 HZ1 LYS 39 13.717 -5.559 -15.015 299 2HZ LYS 39 HZ3 LYS 39 12.820 -4.810 -16.239 300 3HZ LYS 39 HZ2 LYS 39 14.496 -4.597 -16.167 301 H THR 40 HN THR 40 15.858 0.995 -16.591 302 HA THR 40 HA THR 40 13.273 0.229 -17.479 303 HB THR 40 HB THR 40 14.860 2.642 -18.371 304 HG1 THR 40 HG1 THR 40 14.197 3.645 -16.571 305 1HG2 THR 40 1HG2 THR 40 11.896 2.162 -18.215 306 2HG2 THR 40 3HG2 THR 40 12.654 3.722 -18.533 307 3HG2 THR 40 2HG2 THR 40 12.859 2.393 -19.673 308 H TYR 41 HN TYR 41 16.296 0.855 -19.176 309 HA TYR 41 HA TYR 41 15.337 0.304 -21.782 310 1HB TYR 41 HB2 TYR 41 18.209 -0.142 -21.043 311 2HB TYR 41 HB1 TYR 41 17.533 0.543 -22.515 312 HD1 TYR 41 HD1 TYR 41 19.425 1.342 -19.783 313 HD2 TYR 41 HD2 TYR 41 16.025 2.783 -21.899 314 HE1 TYR 41 HE1 TYR 41 19.842 3.600 -18.903 315 HE2 TYR 41 HE2 TYR 41 16.435 5.044 -21.026 316 HH TYR 41 HH TYR 41 17.777 5.908 -18.708 317 H LEU 42 HN LEU 42 16.788 -1.752 -19.296 318 HA LEU 42 HA LEU 42 17.027 -4.038 -21.017 319 1HB LEU 42 HB2 LEU 42 17.368 -3.590 -18.070 320 2HB LEU 42 HB1 LEU 42 17.398 -5.208 -18.745 321 HG LEU 42 HG LEU 42 19.218 -4.131 -20.347 322 1HD1 LEU 42 3HD1 LEU 42 19.336 -2.425 -17.866 323 2HD1 LEU 42 2HD1 LEU 42 20.625 -2.548 -19.064 324 3HD1 LEU 42 1HD1 LEU 42 19.059 -1.879 -19.521 325 1HD2 LEU 42 1HD2 LEU 42 19.545 -6.050 -18.862 326 2HD2 LEU 42 3HD2 LEU 42 20.933 -4.963 -18.833 327 3HD2 LEU 42 2HD2 LEU 42 19.780 -4.954 -17.500 328 HA PRO 43 HA PRO 43 12.925 -5.633 -20.272 329 1HB PRO 43 HB2 PRO 43 13.073 -7.761 -21.858 330 2HB PRO 43 HB1 PRO 43 13.184 -6.131 -22.531 331 1HG PRO 43 HG2 PRO 43 15.332 -8.138 -22.065 332 2HG PRO 43 HG1 PRO 43 15.178 -6.935 -23.355 333 1HD PRO 43 HD2 PRO 43 16.719 -6.710 -20.985 334 2HD PRO 43 HD1 PRO 43 16.391 -5.432 -22.171 335 H ALA 44 HN ALA 44 14.929 -6.272 -18.209 336 HA ALA 44 HA ALA 44 15.025 -9.039 -17.655 337 1HB ALA 44 HB2 ALA 44 15.320 -6.683 -15.802 338 2HB ALA 44 HB1 ALA 44 15.722 -8.351 -15.396 339 3HB ALA 44 HB3 ALA 44 16.612 -7.514 -16.669 340 H VAL 45 HN VAL 45 12.470 -6.815 -17.347 341 HA VAL 45 HA VAL 45 10.984 -7.208 -15.221 342 HB VAL 45 HB VAL 45 8.930 -7.516 -16.843 343 1HG1 VAL 45 1HG1 VAL 45 9.562 -5.486 -15.594 344 2HG1 VAL 45 3HG1 VAL 45 10.643 -5.036 -16.913 345 3HG1 VAL 45 2HG1 VAL 45 8.904 -5.130 -17.191 346 1HG2 VAL 45 2HG2 VAL 45 10.963 -7.895 -18.674 347 2HG2 VAL 45 1HG2 VAL 45 9.288 -7.496 -19.048 348 3HG2 VAL 45 3HG2 VAL 45 10.494 -6.215 -18.925 349 H ASP 46 HN ASP 46 10.746 -9.606 -17.876 350 HA ASP 46 HA ASP 46 9.313 -11.433 -16.187 351 1HB ASP 46 HB2 ASP 46 8.954 -11.211 -18.662 352 2HB ASP 46 HB1 ASP 46 10.517 -11.985 -18.901 353 H GLU 47 HN GLU 47 12.673 -11.061 -17.181 354 HA GLU 47 HA GLU 47 13.518 -13.687 -16.471 355 1HB GLU 47 HB2 GLU 47 15.026 -11.089 -16.764 356 2HB GLU 47 HB1 GLU 47 15.818 -12.611 -16.381 357 1HG GLU 47 HG2 GLU 47 16.072 -12.691 -18.615 358 2HG GLU 47 HG1 GLU 47 14.452 -13.384 -18.540 359 H LYS 48 HN LYS 48 14.049 -10.597 -14.753 360 HA LYS 48 HA LYS 48 15.062 -11.689 -12.394 361 1HB LYS 48 HB2 LYS 48 14.495 -9.138 -13.340 362 2HB LYS 48 HB1 LYS 48 13.460 -9.301 -11.929 363 1HG LYS 48 HG2 LYS 48 15.277 -9.617 -10.489 364 2HG LYS 48 HG1 LYS 48 16.381 -9.968 -11.820 365 1HD LYS 48 HD2 LYS 48 15.034 -7.301 -11.649 366 2HD LYS 48 HD1 LYS 48 16.453 -7.638 -10.658 367 1HE LYS 48 HE2 LYS 48 17.859 -7.659 -12.437 368 2HE LYS 48 HE1 LYS 48 16.652 -8.353 -13.519 369 1HZ LYS 48 HZ3 LYS 48 15.579 -6.182 -13.638 370 2HZ LYS 48 HZ2 LYS 48 16.762 -5.522 -12.624 371 3HZ LYS 48 HZ1 LYS 48 17.187 -6.097 -14.157 372 H LEU 49 HN LEU 49 11.786 -11.492 -13.542 373 HA LEU 49 HA LEU 49 10.421 -11.738 -11.088 374 1HB LEU 49 HB2 LEU 49 9.416 -11.142 -13.330 375 2HB LEU 49 HB1 LEU 49 9.523 -12.839 -13.753 376 HG LEU 49 HG LEU 49 8.075 -12.108 -11.253 377 1HD1 LEU 49 3HD1 LEU 49 7.248 -10.503 -12.915 378 2HD1 LEU 49 2HD1 LEU 49 6.877 -11.838 -14.006 379 3HD1 LEU 49 1HD1 LEU 49 6.022 -11.690 -12.472 380 1HD2 LEU 49 2HD2 LEU 49 7.903 -14.253 -13.347 381 2HD2 LEU 49 1HD2 LEU 49 8.229 -14.416 -11.622 382 3HD2 LEU 49 3HD2 LEU 49 6.611 -13.988 -12.177 383 H ARG 50 HN ARG 50 11.009 -14.245 -13.562 384 HA ARG 50 HA ARG 50 10.414 -16.417 -11.860 385 1HB ARG 50 HB2 ARG 50 10.815 -16.158 -14.533 386 2HB ARG 50 HB1 ARG 50 12.340 -16.891 -14.056 387 1HG ARG 50 HG2 ARG 50 10.813 -18.615 -14.710 388 2HG ARG 50 HG1 ARG 50 11.075 -18.717 -12.968 389 1HD ARG 50 HD2 ARG 50 8.930 -17.081 -13.042 390 2HD ARG 50 HD1 ARG 50 8.640 -18.044 -14.490 391 HE ARG 50 HE ARG 50 9.128 -19.957 -12.715 392 1HH1 ARG 50 1HH1 ARG 50 7.106 -17.110 -12.428 393 2HH1 ARG 50 2HH1 ARG 50 6.008 -17.855 -11.318 394 1HH2 ARG 50 1HH2 ARG 50 7.676 -20.929 -11.255 395 2HH2 ARG 50 2HH2 ARG 50 6.330 -20.021 -10.652 396 H ASP 51 HN ASP 51 13.353 -14.620 -12.535 397 HA ASP 51 HA ASP 51 15.270 -16.353 -11.491 398 1HB ASP 51 HB2 ASP 51 15.724 -14.217 -12.726 399 2HB ASP 51 HB1 ASP 51 15.308 -13.337 -11.259 400 H LEU 52 HN LEU 52 13.617 -13.679 -9.806 401 HA LEU 52 HA LEU 52 14.624 -14.480 -7.245 402 1HB LEU 52 HB2 LEU 52 12.807 -12.353 -8.260 403 2HB LEU 52 HB1 LEU 52 12.702 -12.771 -6.562 404 HG LEU 52 HG LEU 52 14.170 -10.871 -6.856 405 1HD1 LEU 52 3HD1 LEU 52 14.674 -12.667 -5.150 406 2HD1 LEU 52 2HD1 LEU 52 15.921 -13.240 -6.259 407 3HD1 LEU 52 1HD1 LEU 52 16.015 -11.611 -5.590 408 1HD2 LEU 52 2HD2 LEU 52 14.836 -11.335 -9.179 409 2HD2 LEU 52 1HD2 LEU 52 16.219 -10.994 -8.141 410 3HD2 LEU 52 3HD2 LEU 52 15.855 -12.655 -8.608 411 H TYR 53 HN TYR 53 11.940 -15.437 -9.161 412 HA TYR 53 HA TYR 53 10.115 -16.111 -7.100 413 1HB TYR 53 HB2 TYR 53 9.622 -15.884 -9.597 414 2HB TYR 53 HB1 TYR 53 10.297 -17.499 -9.773 415 HD1 TYR 53 HD1 TYR 53 9.218 -19.385 -8.407 416 HD2 TYR 53 HD2 TYR 53 7.379 -15.594 -9.001 417 HE1 TYR 53 HE1 TYR 53 7.036 -20.360 -7.833 418 HE2 TYR 53 HE2 TYR 53 5.191 -16.559 -8.427 419 HH TYR 53 HH TYR 53 4.628 -19.021 -6.823 420 H SER 54 HN SER 54 12.557 -18.014 -8.862 421 HA SER 54 HA SER 54 12.052 -20.478 -7.611 422 1HB SER 54 HB2 SER 54 13.477 -20.063 -9.677 423 2HB SER 54 HB1 SER 54 14.764 -19.559 -8.583 424 HG SER 54 HG SER 54 15.053 -21.575 -7.969 425 H LYS 55 HN LYS 55 14.408 -17.924 -6.821 426 HA LYS 55 HA LYS 55 15.535 -19.179 -4.571 427 1HB LYS 55 HB2 LYS 55 15.271 -16.233 -5.208 428 2HB LYS 55 HB1 LYS 55 16.291 -16.894 -3.937 429 1HG LYS 55 HG2 LYS 55 16.585 -17.592 -6.850 430 2HG LYS 55 HG1 LYS 55 17.481 -16.302 -6.048 431 1HD LYS 55 HD2 LYS 55 18.939 -17.751 -5.188 432 2HD LYS 55 HD1 LYS 55 17.644 -18.759 -4.541 433 1HE LYS 55 HE2 LYS 55 18.453 -18.826 -7.438 434 2HE LYS 55 HE1 LYS 55 19.222 -19.842 -6.219 435 1HZ LYS 55 HZ3 LYS 55 16.942 -20.673 -5.677 436 2HZ LYS 55 HZ2 LYS 55 16.376 -19.862 -7.048 437 3HZ LYS 55 HZ1 LYS 55 17.508 -21.107 -7.212 438 H SER 56 HN SER 56 12.809 -16.935 -4.891 439 HA SER 56 HA SER 56 12.281 -16.599 -2.150 440 1HB SER 56 HB2 SER 56 11.351 -15.143 -3.924 441 2HB SER 56 HB1 SER 56 10.310 -16.468 -4.444 442 HG SER 56 HG SER 56 10.142 -14.846 -2.188 443 H THR 57 HN THR 57 10.831 -18.887 -4.498 444 HA THR 57 HA THR 57 9.029 -20.107 -2.755 445 HB THR 57 HB THR 57 10.483 -21.358 -5.095 446 HG1 THR 57 HG1 THR 57 8.040 -19.925 -4.959 447 1HG2 THR 57 1HG2 THR 57 7.924 -22.145 -3.727 448 2HG2 THR 57 3HG2 THR 57 8.426 -22.733 -5.313 449 3HG2 THR 57 2HG2 THR 57 9.398 -23.102 -3.888 450 H ALA 58 HN ALA 58 12.432 -20.885 -3.425 451 HA ALA 58 HA ALA 58 12.593 -23.250 -1.926 452 1HB ALA 58 HB3 ALA 58 15.030 -22.810 -1.860 453 2HB ALA 58 HB1 ALA 58 14.729 -21.205 -2.527 454 3HB ALA 58 HB2 ALA 58 14.340 -22.642 -3.474 455 H ALA 59 HN ALA 59 13.590 -19.951 -0.973 456 HA ALA 59 HA ALA 59 14.098 -20.564 1.728 457 1HB ALA 59 HB1 ALA 59 13.269 -17.868 0.677 458 2HB ALA 59 HB2 ALA 59 14.889 -18.535 0.474 459 3HB ALA 59 HB3 ALA 59 14.261 -18.223 2.091 460 H MET 60 HN MET 60 11.143 -19.776 0.034 461 HA MET 60 HA MET 60 9.546 -18.988 2.200 462 1HB MET 60 HB2 MET 60 9.105 -19.864 -0.569 463 2HB MET 60 HB1 MET 60 7.766 -20.208 0.516 464 1HG MET 60 HG2 MET 60 8.055 -17.729 1.231 465 2HG MET 60 HG1 MET 60 8.910 -17.579 -0.303 466 1HE MET 60 HE2 MET 60 5.697 -18.014 1.584 467 2HE MET 60 HE1 MET 60 4.441 -18.258 0.371 468 3HE MET 60 HE3 MET 60 5.525 -19.582 0.797 469 H SER 61 HN SER 61 10.666 -22.150 1.275 470 HA SER 61 HA SER 61 8.627 -23.676 2.517 471 1HB SER 61 HB2 SER 61 10.457 -24.440 0.847 472 2HB SER 61 HB1 SER 61 11.473 -24.621 2.278 473 HG SER 61 HG SER 61 9.287 -26.111 1.446 474 H THR 62 HN THR 62 11.219 -21.844 3.802 475 HA THR 62 HA THR 62 10.986 -23.178 6.412 476 HB THR 62 HB THR 62 13.125 -21.236 5.514 477 HG1 THR 62 HG1 THR 62 13.687 -22.912 4.350 478 1HG2 THR 62 3HG2 THR 62 12.999 -23.117 7.858 479 2HG2 THR 62 2HG2 THR 62 14.433 -22.223 7.352 480 3HG2 THR 62 1HG2 THR 62 13.003 -21.354 7.909 481 H TYR 63 HN TYR 63 11.130 -19.955 4.900 482 HA TYR 63 HA TYR 63 10.504 -18.487 7.202 483 1HB TYR 63 HB2 TYR 63 10.312 -17.858 4.262 484 2HB TYR 63 HB1 TYR 63 9.863 -16.693 5.502 485 HD1 TYR 63 HD1 TYR 63 11.813 -16.675 7.485 486 HD2 TYR 63 HD2 TYR 63 12.379 -17.460 3.342 487 HE1 TYR 63 HE1 TYR 63 14.161 -15.976 7.679 488 HE2 TYR 63 HE2 TYR 63 14.729 -16.764 3.525 489 HH TYR 63 HH TYR 63 16.448 -16.697 5.929 490 H THR 64 HN THR 64 8.506 -20.421 5.152 491 HA THR 64 HA THR 64 6.094 -18.967 5.580 492 HB THR 64 HB THR 64 6.723 -21.721 4.584 493 HG1 THR 64 HG1 THR 64 6.706 -20.231 3.004 494 1HG2 THR 64 2HG2 THR 64 3.995 -20.779 5.402 495 2HG2 THR 64 1HG2 THR 64 4.249 -22.012 4.167 496 3HG2 THR 64 3HG2 THR 64 4.807 -22.289 5.816 497 H GLY 65 HN GLY 65 7.302 -21.989 7.021 498 1HA GLY 65 HA1 GLY 65 6.851 -22.946 9.067 499 2HA GLY 65 HA2 GLY 65 5.325 -22.065 9.059 500 H ILE 66 HN ILE 66 8.554 -20.680 8.827 501 HA ILE 66 HA ILE 66 8.875 -19.965 11.541 502 HB ILE 66 HB ILE 66 10.122 -18.895 9.014 503 1HG1 ILE 66 2HG1 ILE 66 10.730 -21.184 9.780 504 2HG1 ILE 66 1HG1 ILE 66 12.095 -20.074 9.780 505 1HG2 ILE 66 1HG2 ILE 66 10.497 -17.962 11.838 506 2HG2 ILE 66 3HG2 ILE 66 11.791 -17.825 10.648 507 3HG2 ILE 66 2HG2 ILE 66 10.252 -17.008 10.375 508 1HD1 ILE 66 2HD1 ILE 66 10.500 -20.900 12.196 509 2HD1 ILE 66 1HD1 ILE 66 12.096 -21.503 11.746 510 3HD1 ILE 66 3HD1 ILE 66 11.886 -19.810 12.192 511 H PHE 67 HN PHE 67 8.055 -17.884 8.748 512 HA PHE 67 HA PHE 67 7.466 -15.558 10.129 513 1HB PHE 67 HB2 PHE 67 6.318 -16.649 7.564 514 2HB PHE 67 HB1 PHE 67 5.845 -15.080 8.197 515 HD1 PHE 67 HD1 PHE 67 9.079 -15.259 9.237 516 HD2 PHE 67 HD2 PHE 67 6.857 -14.971 5.616 517 HE1 PHE 67 HE1 PHE 67 11.020 -14.232 8.130 518 HE2 PHE 67 HE2 PHE 67 8.797 -13.944 4.506 519 HZ PHE 67 HZ PHE 67 10.881 -13.573 5.762 520 H THR 68 HN THR 68 5.116 -18.038 9.116 521 HA THR 68 HA THR 68 2.929 -16.906 10.479 522 HB THR 68 HB THR 68 3.259 -19.815 9.754 523 HG1 THR 68 HG1 THR 68 3.432 -19.066 7.803 524 1HG2 THR 68 1HG2 THR 68 0.861 -18.068 10.176 525 2HG2 THR 68 3HG2 THR 68 0.790 -19.569 9.254 526 3HG2 THR 68 2HG2 THR 68 1.261 -19.600 10.953 527 H ASP 69 HN ASP 69 5.574 -18.765 11.625 528 HA ASP 69 HA ASP 69 4.440 -20.085 13.814 529 1HB ASP 69 HB2 ASP 69 7.008 -19.770 12.829 530 2HB ASP 69 HB1 ASP 69 7.086 -18.986 14.402 531 H GLN 70 HN GLN 70 6.100 -16.918 13.827 532 HA GLN 70 HA GLN 70 5.275 -16.281 16.474 533 1HB GLN 70 HB2 GLN 70 6.201 -14.070 16.042 534 2HB GLN 70 HB1 GLN 70 7.296 -15.317 15.468 535 1HG GLN 70 HG2 GLN 70 7.335 -14.363 13.479 536 2HG GLN 70 HG1 GLN 70 5.602 -14.635 13.312 537 1HE2 GLN 70 1HE2 GLN 70 4.193 -12.948 13.607 538 2HE2 GLN 70 2HE2 GLN 70 4.705 -11.312 13.820 539 H VAL 71 HN VAL 71 3.770 -15.932 13.383 540 HA VAL 71 HA VAL 71 1.980 -13.816 14.012 541 HB VAL 71 HB VAL 71 1.749 -16.021 11.947 542 1HG1 VAL 71 2HG1 VAL 71 0.040 -13.597 12.444 543 2HG1 VAL 71 1HG1 VAL 71 0.097 -14.415 10.882 544 3HG1 VAL 71 3HG1 VAL 71 -0.459 -15.283 12.313 545 1HG2 VAL 71 2HG2 VAL 71 3.609 -14.169 11.894 546 2HG2 VAL 71 1HG2 VAL 71 2.746 -14.620 10.425 547 3HG2 VAL 71 3HG2 VAL 71 2.289 -13.161 11.302 548 H LEU 72 HN LEU 72 1.586 -17.337 13.836 549 HA LEU 72 HA LEU 72 -1.000 -17.500 14.895 550 1HB LEU 72 HB2 LEU 72 1.304 -19.451 14.989 551 2HB LEU 72 HB1 LEU 72 -0.308 -19.839 15.562 552 HG LEU 72 HG LEU 72 0.137 -18.909 12.742 553 1HD1 LEU 72 3HD1 LEU 72 0.340 -21.739 13.760 554 2HD1 LEU 72 2HD1 LEU 72 0.268 -21.262 12.064 555 3HD1 LEU 72 1HD1 LEU 72 1.644 -20.782 13.057 556 1HD2 LEU 72 2HD2 LEU 72 -2.152 -18.943 13.593 557 2HD2 LEU 72 1HD2 LEU 72 -1.919 -20.165 12.344 558 3HD2 LEU 72 3HD2 LEU 72 -1.965 -20.638 14.042 559 H SER 73 HN SER 73 2.179 -17.271 16.382 560 HA SER 73 HA SER 73 1.472 -17.841 19.031 561 1HB SER 73 HB2 SER 73 3.823 -17.466 17.985 562 2HB SER 73 HB1 SER 73 3.544 -15.767 18.360 563 HG SER 73 HG SER 73 4.570 -16.669 20.104 564 H VAL 74 HN VAL 74 1.254 -14.859 17.184 565 HA VAL 74 HA VAL 74 0.496 -13.223 19.402 566 HB VAL 74 HB VAL 74 -0.022 -12.737 16.460 567 1HG1 VAL 74 1HG1 VAL 74 -0.203 -11.010 18.899 568 2HG1 VAL 74 3HG1 VAL 74 0.125 -10.306 17.316 569 3HG1 VAL 74 2HG1 VAL 74 -1.363 -11.212 17.587 570 1HG2 VAL 74 1HG2 VAL 74 2.437 -12.771 17.939 571 2HG2 VAL 74 3HG2 VAL 74 2.171 -12.470 16.222 572 3HG2 VAL 74 2HG2 VAL 74 2.098 -11.136 17.374 573 H LEU 75 HN LEU 75 -1.159 -15.534 17.469 574 HA LEU 75 HA LEU 75 -3.790 -14.501 17.603 575 1HB LEU 75 HB2 LEU 75 -2.702 -16.559 16.288 576 2HB LEU 75 HB1 LEU 75 -3.369 -17.441 17.649 577 HG LEU 75 HG LEU 75 -5.143 -15.554 16.163 578 1HD1 LEU 75 1HD1 LEU 75 -4.044 -16.820 14.397 579 2HD1 LEU 75 3HD1 LEU 75 -4.436 -18.329 15.220 580 3HD1 LEU 75 2HD1 LEU 75 -5.728 -17.315 14.575 581 1HD2 LEU 75 3HD2 LEU 75 -5.484 -18.127 17.686 582 2HD2 LEU 75 2HD2 LEU 75 -6.110 -16.527 18.087 583 3HD2 LEU 75 1HD2 LEU 75 -6.771 -17.413 16.713 584 H LYS 76 HN LYS 76 -1.851 -16.455 19.738 585 HA LYS 76 HA LYS 76 -3.932 -17.114 21.575 586 1HB LYS 76 HB2 LYS 76 -0.927 -17.093 21.931 587 2HB LYS 76 HB1 LYS 76 -2.068 -17.776 23.081 588 1HG LYS 76 HG2 LYS 76 -2.608 -19.550 21.693 589 2HG LYS 76 HG1 LYS 76 -2.044 -18.716 20.244 590 1HD LYS 76 HD2 LYS 76 -0.299 -20.156 20.542 591 2HD LYS 76 HD1 LYS 76 0.268 -18.815 21.538 592 1HE LYS 76 HE2 LYS 76 -0.733 -19.930 23.517 593 2HE LYS 76 HE1 LYS 76 -1.154 -21.299 22.490 594 1HZ LYS 76 HZ3 LYS 76 1.199 -21.618 22.020 595 2HZ LYS 76 HZ2 LYS 76 1.598 -20.311 23.017 596 3HZ LYS 76 HZ1 LYS 76 0.900 -21.700 23.684 597 H GLY 77 HN GLY 77 -1.484 -14.550 21.419 598 1HA GLY 77 HA1 GLY 77 -1.064 -12.862 23.013 599 2HA GLY 77 HA2 GLY 77 -2.479 -13.383 23.911 600 H GLU 78 HN GLU 78 -4.301 -13.369 21.680 601 HA GLU 78 HA GLU 78 -4.824 -10.514 21.578 602 1HB GLU 78 HB2 GLU 78 -4.142 -12.168 19.184 603 2HB GLU 78 HB1 GLU 78 -5.376 -10.928 19.018 604 1HG GLU 78 HG2 GLU 78 -2.570 -10.451 19.998 605 2HG GLU 78 HG1 GLU 78 -3.139 -10.159 18.356 606 H GLU 79 HN GLU 79 -5.943 -13.544 20.043 607 HA GLU 79 HA GLU 79 -8.694 -12.823 20.780 608 1HB GLU 79 HB2 GLU 79 -7.827 -14.965 18.836 609 2HB GLU 79 HB1 GLU 79 -9.441 -14.300 19.042 610 1HG GLU 79 HG2 GLU 79 -7.030 -12.939 17.872 611 2HG GLU 79 HG1 GLU 79 -8.522 -13.389 17.050 No H/Q in entry = 611 Start of MODEL 58 1 H1 THR 1 HT2 THR 1 16.129 -16.478 44.772 2 H2 THR 1 HT1 THR 1 16.159 -16.608 43.062 3 H3 THR 1 HT3 THR 1 16.419 -15.088 43.811 4 HA THR 1 HA THR 1 14.221 -15.021 44.612 5 HB THR 1 HB THR 1 13.032 -15.121 42.350 6 HG1 THR 1 HG1 THR 1 14.031 -16.465 41.059 7 1HG2 THR 1 1HG2 THR 1 14.148 -13.077 43.126 8 2HG2 THR 1 3HG2 THR 1 15.645 -13.632 42.377 9 3HG2 THR 1 2HG2 THR 1 14.236 -13.281 41.376 10 H GLN 2 HN GLN 2 12.367 -16.019 45.232 11 HA GLN 2 HA GLN 2 12.345 -18.902 45.257 12 1HB GLN 2 HB2 GLN 2 10.577 -16.774 46.437 13 2HB GLN 2 HB1 GLN 2 10.089 -18.463 46.457 14 1HG GLN 2 HG2 GLN 2 11.090 -18.152 48.524 15 2HG GLN 2 HG1 GLN 2 12.356 -18.910 47.559 16 1HE2 GLN 2 1HE2 GLN 2 11.193 -15.840 48.831 17 2HE2 GLN 2 2HE2 GLN 2 12.726 -15.045 48.821 18 H GLN 3 HN GLN 3 10.423 -16.331 43.757 19 HA GLN 3 HA GLN 3 9.637 -18.066 41.623 20 1HB GLN 3 HB2 GLN 3 7.975 -18.810 43.191 21 2HB GLN 3 HB1 GLN 3 7.549 -17.160 43.611 22 1HG GLN 3 HG2 GLN 3 7.265 -17.798 40.766 23 2HG GLN 3 HG1 GLN 3 6.214 -18.722 41.837 24 1HE2 GLN 3 1HE2 GLN 3 6.585 -15.859 40.156 25 2HE2 GLN 3 2HE2 GLN 3 5.337 -14.942 40.920 26 HA PRO 4 HA PRO 4 7.970 -13.679 40.657 27 1HB PRO 4 HB2 PRO 4 7.915 -11.777 42.571 28 2HB PRO 4 HB1 PRO 4 6.600 -12.941 42.360 29 1HG PRO 4 HG2 PRO 4 8.851 -12.965 44.334 30 2HG PRO 4 HG1 PRO 4 7.134 -13.322 44.593 31 1HD PRO 4 HD2 PRO 4 9.021 -15.255 44.293 32 2HD PRO 4 HD1 PRO 4 7.331 -15.466 43.799 33 H GLN 5 HN GLN 5 9.956 -13.684 39.525 34 HA GLN 5 HA GLN 5 12.373 -12.674 40.658 35 1HB GLN 5 HB2 GLN 5 11.467 -13.557 37.971 36 2HB GLN 5 HB1 GLN 5 12.848 -12.469 38.022 37 1HG GLN 5 HG2 GLN 5 14.138 -14.221 38.397 38 2HG GLN 5 HG1 GLN 5 13.360 -14.404 39.967 39 1HE2 GLN 5 1HE2 GLN 5 13.151 -15.344 36.573 40 2HE2 GLN 5 2HE2 GLN 5 12.348 -16.848 36.853 41 H GLN 6 HN GLN 6 13.543 -10.776 39.788 42 HA GLN 6 HA GLN 6 11.980 -8.424 40.054 43 1HB GLN 6 HB2 GLN 6 14.026 -7.211 39.773 44 2HB GLN 6 HB1 GLN 6 14.380 -8.646 40.724 45 1HG GLN 6 HG2 GLN 6 15.795 -9.451 39.199 46 2HG GLN 6 HG1 GLN 6 14.735 -9.035 37.853 47 1HE2 GLN 6 1HE2 GLN 6 17.710 -8.561 38.899 48 2HE2 GLN 6 2HE2 GLN 6 18.008 -6.950 38.350 49 H ASP 7 HN ASP 7 12.647 -6.566 38.305 50 HA ASP 7 HA ASP 7 11.128 -7.225 35.986 51 1HB ASP 7 HB2 ASP 7 11.491 -4.929 35.303 52 2HB ASP 7 HB1 ASP 7 11.141 -4.966 37.028 53 H GLU 8 HN GLU 8 11.787 -7.211 33.798 54 HA GLU 8 HA GLU 8 14.260 -8.537 33.311 55 1HB GLU 8 HB2 GLU 8 11.949 -8.559 32.005 56 2HB GLU 8 HB1 GLU 8 12.725 -7.283 31.079 57 1HG GLU 8 HG2 GLU 8 14.232 -9.802 31.531 58 2HG GLU 8 HG1 GLU 8 12.896 -9.819 30.382 59 H MET 9 HN MET 9 16.061 -7.830 32.121 60 HA MET 9 HA MET 9 16.865 -5.152 32.628 61 1HB MET 9 HB2 MET 9 18.401 -7.134 32.510 62 2HB MET 9 HB1 MET 9 18.170 -7.147 30.768 63 1HG MET 9 HG2 MET 9 18.907 -4.555 31.238 64 2HG MET 9 HG1 MET 9 19.855 -5.443 32.430 65 1HE MET 9 HE3 MET 9 18.751 -4.976 28.947 66 2HE MET 9 HE2 MET 9 20.160 -5.319 27.945 67 3HE MET 9 HE1 MET 9 19.070 -6.625 28.410 68 HA PRO 10 HA PRO 10 15.003 -3.205 29.077 69 1HB PRO 10 HB2 PRO 10 16.525 -0.917 29.129 70 2HB PRO 10 HB1 PRO 10 15.117 -1.197 30.159 71 1HG PRO 10 HG2 PRO 10 18.023 -1.521 30.792 72 2HG PRO 10 HG1 PRO 10 16.729 -0.829 31.788 73 1HD PRO 10 HD2 PRO 10 17.642 -3.320 32.197 74 2HD PRO 10 HD1 PRO 10 15.928 -2.910 32.417 75 H SER 11 HN SER 11 15.620 -4.415 27.329 76 HA SER 11 HA SER 11 18.305 -4.536 26.362 77 1HB SER 11 HB2 SER 11 17.300 -5.707 24.416 78 2HB SER 11 HB1 SER 11 16.765 -6.381 25.954 79 HG SER 11 HG SER 11 15.337 -4.983 24.027 80 HA PRO 12 HA PRO 12 18.676 -0.989 23.772 81 1HB PRO 12 HB2 PRO 12 19.657 -2.080 21.436 82 2HB PRO 12 HB1 PRO 12 20.634 -1.729 22.866 83 1HG PRO 12 HG2 PRO 12 19.443 -4.322 21.975 84 2HG PRO 12 HG1 PRO 12 21.041 -4.003 22.674 85 1HD PRO 12 HD2 PRO 12 19.050 -5.038 24.143 86 2HD PRO 12 HD1 PRO 12 20.207 -3.881 24.836 87 H THR 13 HN THR 13 17.319 0.180 22.549 88 HA THR 13 HA THR 13 14.960 -1.013 21.476 89 HB THR 13 HB THR 13 15.980 1.813 21.112 90 HG1 THR 13 HG1 THR 13 14.332 0.690 23.129 91 1HG2 THR 13 3HG2 THR 13 13.338 0.530 20.612 92 2HG2 THR 13 2HG2 THR 13 13.416 2.213 21.134 93 3HG2 THR 13 1HG2 THR 13 14.218 1.714 19.646 94 H PHE 14 HN PHE 14 14.592 -1.785 19.504 95 HA PHE 14 HA PHE 14 16.640 -1.909 17.543 96 1HB PHE 14 HB2 PHE 14 14.842 -3.630 17.867 97 2HB PHE 14 HB1 PHE 14 13.700 -2.499 17.148 98 HD1 PHE 14 HD1 PHE 14 16.866 -4.318 16.461 99 HD2 PHE 14 HD2 PHE 14 13.416 -2.425 14.842 100 HE1 PHE 14 HE1 PHE 14 17.470 -5.141 14.223 101 HE2 PHE 14 HE2 PHE 14 14.012 -3.245 12.601 102 HZ PHE 14 HZ PHE 14 16.042 -4.606 12.289 103 H LEU 15 HN LEU 15 13.940 0.262 18.057 104 HA LEU 15 HA LEU 15 13.765 1.368 15.476 105 1HB LEU 15 HB2 LEU 15 12.152 1.662 17.424 106 2HB LEU 15 HB1 LEU 15 13.265 2.869 18.041 107 HG LEU 15 HG LEU 15 12.938 3.861 15.582 108 1HD1 LEU 15 1HD1 LEU 15 11.450 2.064 14.858 109 2HD1 LEU 15 3HD1 LEU 15 10.330 2.464 16.160 110 3HD1 LEU 15 2HD1 LEU 15 10.625 3.622 14.862 111 1HD2 LEU 15 3HD2 LEU 15 11.008 4.237 17.869 112 2HD2 LEU 15 2HD2 LEU 15 12.554 5.059 17.667 113 3HD2 LEU 15 1HD2 LEU 15 11.244 5.354 16.524 114 H THR 16 HN THR 16 15.812 2.167 18.254 115 HA THR 16 HA THR 16 16.927 4.549 17.308 116 HB THR 16 HB THR 16 18.397 2.468 18.936 117 HG1 THR 16 HG1 THR 16 16.481 4.386 19.764 118 1HG2 THR 16 1HG2 THR 16 18.589 5.470 18.905 119 2HG2 THR 16 3HG2 THR 16 19.422 4.402 20.033 120 3HG2 THR 16 2HG2 THR 16 19.798 4.331 18.312 121 H GLN 17 HN GLN 17 17.976 1.182 16.847 122 HA GLN 17 HA GLN 17 20.279 1.740 15.326 123 1HB GLN 17 HB2 GLN 17 19.917 -0.452 16.319 124 2HB GLN 17 HB1 GLN 17 18.484 -0.697 15.332 125 1HG GLN 17 HG2 GLN 17 20.814 -0.116 13.716 126 2HG GLN 17 HG1 GLN 17 21.064 -1.516 14.757 127 1HE2 GLN 17 1HE2 GLN 17 20.038 -3.400 14.297 128 2HE2 GLN 17 2HE2 GLN 17 18.999 -3.629 12.937 129 H VAL 18 HN VAL 18 17.063 0.649 14.235 130 HA VAL 18 HA VAL 18 17.107 0.597 11.597 131 HB VAL 18 HB VAL 18 15.049 2.124 13.192 132 1HG1 VAL 18 2HG1 VAL 18 15.059 1.237 10.321 133 2HG1 VAL 18 1HG1 VAL 18 13.562 1.513 11.210 134 3HG1 VAL 18 3HG1 VAL 18 14.707 2.834 10.980 135 1HG2 VAL 18 1HG2 VAL 18 15.690 -0.611 13.100 136 2HG2 VAL 18 3HG2 VAL 18 14.282 0.144 13.846 137 3HG2 VAL 18 2HG2 VAL 18 14.200 -0.421 12.178 138 H LYS 19 HN LYS 19 16.985 3.718 13.327 139 HA LYS 19 HA LYS 19 16.852 5.435 11.180 140 1HB LYS 19 HB2 LYS 19 18.253 5.766 13.830 141 2HB LYS 19 HB1 LYS 19 18.077 7.077 12.672 142 1HG LYS 19 HG2 LYS 19 15.991 7.480 13.317 143 2HG LYS 19 HG1 LYS 19 15.546 5.778 13.194 144 1HD LYS 19 HD2 LYS 19 16.867 5.543 15.422 145 2HD LYS 19 HD1 LYS 19 16.638 7.289 15.536 146 1HE LYS 19 HE2 LYS 19 14.300 5.522 14.954 147 2HE LYS 19 HE1 LYS 19 14.902 5.655 16.606 148 1HZ LYS 19 HZ1 LYS 19 14.598 8.054 16.478 149 2HZ LYS 19 HZ3 LYS 19 14.006 7.916 14.898 150 3HZ LYS 19 HZ2 LYS 19 13.141 7.245 16.188 151 H GLU 20 HN GLU 20 19.907 4.532 12.829 152 HA GLU 20 HA GLU 20 21.549 5.665 10.833 153 1HB GLU 20 HB2 GLU 20 23.392 4.701 11.958 154 2HB GLU 20 HB1 GLU 20 22.224 5.093 13.209 155 1HG GLU 20 HG2 GLU 20 22.697 3.018 13.918 156 2HG GLU 20 HG1 GLU 20 21.512 2.555 12.701 157 H SER 21 HN SER 21 19.943 2.615 11.078 158 HA SER 21 HA SER 21 21.493 1.100 9.274 159 1HB SER 21 HB2 SER 21 19.240 0.637 10.826 160 2HB SER 21 HB1 SER 21 18.635 0.494 9.175 161 HG SER 21 HG SER 21 19.670 -1.421 10.335 162 H LEU 22 HN LEU 22 18.772 3.303 8.806 163 HA LEU 22 HA LEU 22 18.468 2.809 6.018 164 1HB LEU 22 HB2 LEU 22 17.598 5.154 7.709 165 2HB LEU 22 HB1 LEU 22 17.106 4.888 6.048 166 HG LEU 22 HG LEU 22 16.571 2.669 7.936 167 1HD1 LEU 22 2HD1 LEU 22 16.008 4.622 9.299 168 2HD1 LEU 22 1HD1 LEU 22 14.976 5.227 8.003 169 3HD1 LEU 22 3HD1 LEU 22 14.569 3.720 8.827 170 1HD2 LEU 22 1HD2 LEU 22 15.930 2.568 5.576 171 2HD2 LEU 22 3HD2 LEU 22 14.519 2.523 6.632 172 3HD2 LEU 22 2HD2 LEU 22 14.938 4.011 5.784 173 H SER 23 HN SER 23 20.383 5.071 7.924 174 HA SER 23 HA SER 23 21.112 6.852 5.894 175 1HB SER 23 HB2 SER 23 22.746 5.991 8.294 176 2HB SER 23 HB1 SER 23 23.039 7.429 7.317 177 HG SER 23 HG SER 23 21.042 6.920 9.194 178 H SER 24 HN SER 24 22.882 3.997 7.095 179 HA SER 24 HA SER 24 24.897 4.076 5.116 180 1HB SER 24 HB2 SER 24 24.753 2.742 7.383 181 2HB SER 24 HB1 SER 24 24.052 1.486 6.363 182 HG SER 24 HG SER 24 26.641 2.544 6.369 183 H TYR 25 HN TYR 25 21.613 3.086 4.989 184 HA TYR 25 HA TYR 25 21.896 1.227 2.816 185 1HB TYR 25 HB2 TYR 25 20.012 1.121 4.438 186 2HB TYR 25 HB1 TYR 25 19.410 2.648 3.802 187 HD1 TYR 25 HD1 TYR 25 18.246 2.744 1.703 188 HD2 TYR 25 HD2 TYR 25 19.916 -0.923 3.068 189 HE1 TYR 25 HE1 TYR 25 16.971 1.532 -0.014 190 HE2 TYR 25 HE2 TYR 25 18.646 -2.146 1.354 191 HH TYR 25 HH TYR 25 17.540 -1.123 -1.198 192 H TRP 26 HN TRP 26 21.018 4.644 3.162 193 HA TRP 26 HA TRP 26 20.294 5.101 0.478 194 1HB TRP 26 HB2 TRP 26 20.294 6.606 2.785 195 2HB TRP 26 HB1 TRP 26 21.542 7.388 1.820 196 HD1 TRP 26 HD1 TRP 26 17.852 7.217 2.235 197 HE1 TRP 26 HE1 TRP 26 16.683 8.560 0.377 198 HE3 TRP 26 HE3 TRP 26 21.846 7.957 -0.874 199 HZ2 TRP 26 HZ2 TRP 26 17.362 9.771 -2.082 200 HZ3 TRP 26 HZ3 TRP 26 21.501 9.215 -2.958 201 HH2 TRP 26 HH2 TRP 26 19.304 10.103 -3.548 202 H GLU 27 HN GLU 27 23.385 5.224 2.149 203 HA GLU 27 HA GLU 27 25.075 6.493 0.456 204 1HB GLU 27 HB2 GLU 27 25.348 4.193 2.285 205 2HB GLU 27 HB1 GLU 27 26.603 4.318 1.061 206 1HG GLU 27 HG2 GLU 27 27.617 5.931 2.179 207 2HG GLU 27 HG1 GLU 27 26.137 6.887 2.239 208 H SER 28 HN SER 28 24.285 3.033 0.210 209 HA SER 28 HA SER 28 25.344 2.914 -2.491 210 1HB SER 28 HB2 SER 28 24.137 0.815 -0.678 211 2HB SER 28 HB1 SER 28 24.694 0.485 -2.318 212 HG SER 28 HG SER 28 26.168 1.104 -0.023 213 H ALA 29 HN ALA 29 22.326 3.532 -0.995 214 HA ALA 29 HA ALA 29 20.532 2.382 -2.828 215 1HB ALA 29 HB1 ALA 29 19.899 3.352 -0.631 216 2HB ALA 29 HB3 ALA 29 20.120 4.959 -1.323 217 3HB ALA 29 HB2 ALA 29 18.877 3.886 -1.964 218 H LYS 30 HN LYS 30 22.355 5.401 -2.963 219 HA LYS 30 HA LYS 30 21.018 6.714 -5.000 220 1HB LYS 30 HB2 LYS 30 23.016 7.521 -3.620 221 2HB LYS 30 HB1 LYS 30 24.023 6.679 -4.788 222 1HG LYS 30 HG2 LYS 30 22.205 8.290 -6.240 223 2HG LYS 30 HG1 LYS 30 22.893 9.280 -4.952 224 1HD LYS 30 HD2 LYS 30 24.727 7.560 -6.546 225 2HD LYS 30 HD1 LYS 30 24.091 9.024 -7.297 226 1HE LYS 30 HE2 LYS 30 26.039 9.797 -6.330 227 2HE LYS 30 HE1 LYS 30 24.847 10.165 -5.085 228 1HZ LYS 30 HZ2 LYS 30 26.464 7.680 -5.085 229 2HZ LYS 30 HZ1 LYS 30 26.947 9.092 -4.290 230 3HZ LYS 30 HZ3 LYS 30 25.525 8.303 -3.823 231 H THR 31 HN THR 31 23.657 4.350 -5.338 232 HA THR 31 HA THR 31 23.945 4.295 -8.075 233 HB THR 31 HB THR 31 23.942 1.798 -6.372 234 HG1 THR 31 HG1 THR 31 25.949 3.791 -6.585 235 1HG2 THR 31 1HG2 THR 31 25.582 2.594 -8.765 236 2HG2 THR 31 3HG2 THR 31 25.827 1.140 -7.798 237 3HG2 THR 31 2HG2 THR 31 24.330 1.353 -8.705 238 H ALA 32 HN ALA 32 21.484 2.805 -6.057 239 HA ALA 32 HA ALA 32 20.221 1.257 -8.047 240 1HB ALA 32 HB1 ALA 32 18.632 2.477 -5.836 241 2HB ALA 32 HB3 ALA 32 18.569 0.845 -6.502 242 3HB ALA 32 HB2 ALA 32 19.901 1.316 -5.446 243 H ALA 33 HN ALA 33 19.706 4.606 -6.946 244 HA ALA 33 HA ALA 33 17.447 5.271 -8.384 245 1HB ALA 33 HB2 ALA 33 18.751 6.716 -6.746 246 2HB ALA 33 HB1 ALA 33 19.770 7.158 -8.117 247 3HB ALA 33 HB3 ALA 33 18.047 7.535 -8.140 248 H GLN 34 HN GLN 34 20.808 5.568 -9.516 249 HA GLN 34 HA GLN 34 20.111 6.344 -12.147 250 1HB GLN 34 HB2 GLN 34 22.615 5.040 -11.058 251 2HB GLN 34 HB1 GLN 34 22.458 5.621 -12.708 252 1HG GLN 34 HG2 GLN 34 23.476 7.418 -11.763 253 2HG GLN 34 HG1 GLN 34 21.789 7.863 -11.503 254 1HE2 GLN 34 1HE2 GLN 34 24.428 6.079 -9.924 255 2HE2 GLN 34 2HE2 GLN 34 24.057 6.614 -8.324 256 H ASN 35 HN ASN 35 20.677 3.246 -10.576 257 HA ASN 35 HA ASN 35 20.608 1.618 -12.877 258 1HB ASN 35 HB2 ASN 35 21.235 1.062 -10.377 259 2HB ASN 35 HB1 ASN 35 19.535 0.619 -10.266 260 1HD2 ASN 35 1HD2 ASN 35 18.746 -1.052 -11.664 261 2HD2 ASN 35 2HD2 ASN 35 19.824 -2.263 -12.259 262 H LEU 36 HN LEU 36 18.094 3.177 -11.092 263 HA LEU 36 HA LEU 36 15.874 1.625 -11.774 264 1HB LEU 36 HB2 LEU 36 16.159 3.823 -10.284 265 2HB LEU 36 HB1 LEU 36 15.629 4.601 -11.762 266 HG LEU 36 HG LEU 36 13.776 4.191 -10.193 267 1HD1 LEU 36 3HD1 LEU 36 13.599 4.101 -12.771 268 2HD1 LEU 36 2HD1 LEU 36 13.333 2.376 -12.526 269 3HD1 LEU 36 1HD1 LEU 36 12.238 3.551 -11.796 270 1HD2 LEU 36 2HD2 LEU 36 14.770 2.075 -9.262 271 2HD2 LEU 36 1HD2 LEU 36 13.043 2.012 -9.613 272 3HD2 LEU 36 3HD2 LEU 36 14.195 1.257 -10.715 273 H TYR 37 HN TYR 37 17.473 4.319 -13.375 274 HA TYR 37 HA TYR 37 15.847 4.380 -15.700 275 1HB TYR 37 HB2 TYR 37 18.638 5.354 -15.102 276 2HB TYR 37 HB1 TYR 37 17.942 5.502 -16.712 277 HD1 TYR 37 HD1 TYR 37 17.782 6.677 -13.244 278 HD2 TYR 37 HD2 TYR 37 16.143 7.068 -17.151 279 HE1 TYR 37 HE1 TYR 37 16.685 8.771 -12.567 280 HE2 TYR 37 HE2 TYR 37 15.040 9.162 -16.484 281 HH TYR 37 HH TYR 37 15.741 11.010 -14.332 282 H GLU 38 HN GLU 38 18.746 2.620 -14.764 283 HA GLU 38 HA GLU 38 19.453 1.523 -17.234 284 1HB GLU 38 HB2 GLU 38 20.908 1.405 -15.264 285 2HB GLU 38 HB1 GLU 38 19.784 0.300 -14.489 286 1HG GLU 38 HG2 GLU 38 20.647 -0.611 -17.116 287 2HG GLU 38 HG1 GLU 38 21.976 -0.404 -15.977 288 H LYS 39 HN LYS 39 17.565 -0.025 -14.659 289 HA LYS 39 HA LYS 39 16.869 -2.335 -16.034 290 1HB LYS 39 HB2 LYS 39 15.708 -0.861 -13.711 291 2HB LYS 39 HB1 LYS 39 14.795 -2.192 -14.409 292 1HG LYS 39 HG2 LYS 39 17.662 -2.599 -13.698 293 2HG LYS 39 HG1 LYS 39 16.436 -2.609 -12.429 294 1HD LYS 39 HD2 LYS 39 16.128 -4.280 -14.902 295 2HD LYS 39 HD1 LYS 39 17.080 -4.847 -13.529 296 1HE LYS 39 HE2 LYS 39 15.251 -5.357 -12.359 297 2HE LYS 39 HE1 LYS 39 14.511 -3.794 -12.699 298 1HZ LYS 39 HZ3 LYS 39 13.991 -4.778 -14.971 299 2HZ LYS 39 HZ2 LYS 39 14.356 -6.282 -14.288 300 3HZ LYS 39 HZ1 LYS 39 13.091 -5.354 -13.658 301 H THR 40 HN THR 40 15.772 0.854 -16.637 302 HA THR 40 HA THR 40 13.153 0.236 -17.565 303 HB THR 40 HB THR 40 14.903 2.535 -18.449 304 HG1 THR 40 HG1 THR 40 14.297 3.590 -16.672 305 1HG2 THR 40 3HG2 THR 40 11.910 2.251 -18.337 306 2HG2 THR 40 2HG2 THR 40 12.782 3.741 -18.701 307 3HG2 THR 40 1HG2 THR 40 12.907 2.358 -19.788 308 H TYR 41 HN TYR 41 16.203 0.811 -19.258 309 HA TYR 41 HA TYR 41 15.249 0.150 -21.839 310 1HB TYR 41 HB2 TYR 41 18.123 -0.106 -20.963 311 2HB TYR 41 HB1 TYR 41 17.505 0.275 -22.565 312 HD1 TYR 41 HD1 TYR 41 16.108 2.507 -22.716 313 HD2 TYR 41 HD2 TYR 41 18.889 1.615 -19.621 314 HE1 TYR 41 HE1 TYR 41 16.321 4.906 -22.224 315 HE2 TYR 41 HE2 TYR 41 19.108 4.012 -19.121 316 HH TYR 41 HH TYR 41 18.553 6.323 -20.898 317 H LEU 42 HN LEU 42 16.998 -1.746 -19.395 318 HA LEU 42 HA LEU 42 17.218 -4.096 -20.979 319 1HB LEU 42 HB2 LEU 42 17.626 -3.429 -18.097 320 2HB LEU 42 HB1 LEU 42 17.553 -5.115 -18.573 321 HG LEU 42 HG LEU 42 19.380 -4.478 -20.299 322 1HD1 LEU 42 3HD1 LEU 42 19.415 -2.120 -18.442 323 2HD1 LEU 42 2HD1 LEU 42 20.857 -2.645 -19.311 324 3HD1 LEU 42 1HD1 LEU 42 19.424 -2.141 -20.206 325 1HD2 LEU 42 1HD2 LEU 42 19.915 -4.605 -17.335 326 2HD2 LEU 42 3HD2 LEU 42 19.796 -5.965 -18.452 327 3HD2 LEU 42 2HD2 LEU 42 21.136 -4.826 -18.589 328 HA PRO 43 HA PRO 43 13.192 -5.831 -20.173 329 1HB PRO 43 HB2 PRO 43 13.479 -8.103 -21.527 330 2HB PRO 43 HB1 PRO 43 13.534 -6.545 -22.359 331 1HG PRO 43 HG2 PRO 43 15.758 -8.385 -21.639 332 2HG PRO 43 HG1 PRO 43 15.583 -7.332 -23.051 333 1HD PRO 43 HD2 PRO 43 17.055 -6.786 -20.697 334 2HD PRO 43 HD1 PRO 43 16.680 -5.648 -22.006 335 H ALA 44 HN ALA 44 15.369 -6.288 -18.097 336 HA ALA 44 HA ALA 44 15.340 -8.986 -17.268 337 1HB ALA 44 HB1 ALA 44 16.002 -6.422 -15.858 338 2HB ALA 44 HB3 ALA 44 16.071 -7.984 -15.043 339 3HB ALA 44 HB2 ALA 44 17.095 -7.675 -16.445 340 H VAL 45 HN VAL 45 12.935 -6.571 -17.046 341 HA VAL 45 HA VAL 45 11.629 -6.910 -14.702 342 HB VAL 45 HB VAL 45 9.465 -6.555 -15.975 343 1HG1 VAL 45 2HG1 VAL 45 10.776 -4.726 -15.031 344 2HG1 VAL 45 1HG1 VAL 45 11.746 -4.654 -16.503 345 3HG1 VAL 45 3HG1 VAL 45 10.029 -4.254 -16.558 346 1HG2 VAL 45 2HG2 VAL 45 11.374 -6.808 -18.263 347 2HG2 VAL 45 1HG2 VAL 45 9.735 -7.435 -18.094 348 3HG2 VAL 45 3HG2 VAL 45 9.995 -5.716 -18.388 349 H ASP 46 HN ASP 46 11.090 -8.986 -17.568 350 HA ASP 46 HA ASP 46 9.306 -10.727 -16.190 351 1HB ASP 46 HB2 ASP 46 9.489 -10.361 -18.720 352 2HB ASP 46 HB1 ASP 46 10.866 -11.459 -18.664 353 H GLU 47 HN GLU 47 12.784 -10.658 -16.650 354 HA GLU 47 HA GLU 47 13.297 -13.351 -15.894 355 1HB GLU 47 HB2 GLU 47 15.036 -12.261 -17.057 356 2HB GLU 47 HB1 GLU 47 14.985 -10.859 -16.000 357 1HG GLU 47 HG2 GLU 47 15.670 -13.411 -14.699 358 2HG GLU 47 HG1 GLU 47 16.846 -12.796 -15.858 359 H LYS 48 HN LYS 48 13.391 -10.291 -14.070 360 HA LYS 48 HA LYS 48 14.166 -11.308 -11.595 361 1HB LYS 48 HB2 LYS 48 12.914 -8.849 -12.587 362 2HB LYS 48 HB1 LYS 48 12.478 -9.239 -10.929 363 1HG LYS 48 HG2 LYS 48 14.344 -7.940 -10.629 364 2HG LYS 48 HG1 LYS 48 15.038 -9.561 -10.612 365 1HD LYS 48 HD2 LYS 48 15.355 -9.194 -13.155 366 2HD LYS 48 HD1 LYS 48 15.132 -7.486 -12.772 367 1HE LYS 48 HE2 LYS 48 16.967 -7.686 -11.103 368 2HE LYS 48 HE1 LYS 48 17.237 -9.336 -11.661 369 1HZ LYS 48 HZ2 LYS 48 17.397 -6.942 -13.410 370 2HZ LYS 48 HZ1 LYS 48 18.735 -7.673 -12.679 371 3HZ LYS 48 HZ3 LYS 48 17.820 -8.527 -13.818 372 H LEU 49 HN LEU 49 11.052 -11.391 -13.176 373 HA LEU 49 HA LEU 49 9.431 -11.917 -10.933 374 1HB LEU 49 HB2 LEU 49 9.143 -12.523 -13.864 375 2HB LEU 49 HB1 LEU 49 7.941 -13.052 -12.705 376 HG LEU 49 HG LEU 49 8.715 -10.163 -12.812 377 1HD1 LEU 49 1HD1 LEU 49 7.481 -11.657 -14.957 378 2HD1 LEU 49 3HD1 LEU 49 6.407 -10.403 -14.336 379 3HD1 LEU 49 2HD1 LEU 49 8.018 -9.978 -14.915 380 1HD2 LEU 49 3HD2 LEU 49 7.314 -10.949 -10.977 381 2HD2 LEU 49 2HD2 LEU 49 6.412 -9.872 -12.043 382 3HD2 LEU 49 1HD2 LEU 49 6.159 -11.615 -12.132 383 H ARG 50 HN ARG 50 10.439 -14.248 -13.447 384 HA ARG 50 HA ARG 50 9.874 -16.526 -11.881 385 1HB ARG 50 HB2 ARG 50 10.954 -15.974 -14.504 386 2HB ARG 50 HB1 ARG 50 11.875 -17.250 -13.722 387 1HG ARG 50 HG2 ARG 50 10.191 -18.353 -14.911 388 2HG ARG 50 HG1 ARG 50 9.642 -18.358 -13.235 389 1HD ARG 50 HD2 ARG 50 8.802 -16.222 -15.170 390 2HD ARG 50 HD1 ARG 50 7.938 -17.753 -15.051 391 HE ARG 50 HE ARG 50 7.851 -17.045 -12.535 392 1HH1 ARG 50 1HH1 ARG 50 7.435 -14.974 -15.332 393 2HH1 ARG 50 2HH1 ARG 50 6.411 -13.855 -14.499 394 1HH2 ARG 50 1HH2 ARG 50 6.502 -15.568 -11.450 395 2HH2 ARG 50 2HH2 ARG 50 5.881 -14.191 -12.298 396 H ASP 51 HN ASP 51 12.707 -14.483 -12.187 397 HA ASP 51 HA ASP 51 14.667 -16.140 -11.092 398 1HB ASP 51 HB2 ASP 51 15.241 -14.007 -12.100 399 2HB ASP 51 HB1 ASP 51 14.338 -13.140 -10.862 400 H LEU 52 HN LEU 52 12.732 -13.680 -9.377 401 HA LEU 52 HA LEU 52 13.551 -14.450 -6.793 402 1HB LEU 52 HB2 LEU 52 11.078 -12.986 -7.712 403 2HB LEU 52 HB1 LEU 52 11.549 -13.159 -6.033 404 HG LEU 52 HG LEU 52 13.400 -11.889 -8.031 405 1HD1 LEU 52 3HD1 LEU 52 11.250 -10.711 -8.163 406 2HD1 LEU 52 2HD1 LEU 52 11.286 -10.470 -6.416 407 3HD1 LEU 52 1HD1 LEU 52 12.511 -9.717 -7.436 408 1HD2 LEU 52 3HD2 LEU 52 13.080 -11.643 -5.041 409 2HD2 LEU 52 2HD2 LEU 52 14.347 -12.532 -5.887 410 3HD2 LEU 52 1HD2 LEU 52 14.262 -10.775 -6.022 411 H TYR 53 HN TYR 53 11.114 -15.708 -8.939 412 HA TYR 53 HA TYR 53 9.521 -17.043 -7.011 413 1HB TYR 53 HB2 TYR 53 9.789 -17.051 -9.953 414 2HB TYR 53 HB1 TYR 53 9.168 -18.540 -9.252 415 HD1 TYR 53 HD1 TYR 53 8.635 -14.922 -8.446 416 HD2 TYR 53 HD2 TYR 53 6.882 -18.646 -9.527 417 HE1 TYR 53 HE1 TYR 53 6.401 -13.909 -8.289 418 HE2 TYR 53 HE2 TYR 53 4.643 -17.643 -9.374 419 HH TYR 53 HH TYR 53 3.800 -15.244 -7.841 420 H SER 54 HN SER 54 12.164 -18.187 -9.121 421 HA SER 54 HA SER 54 12.198 -20.839 -8.197 422 1HB SER 54 HB2 SER 54 14.482 -20.946 -9.155 423 2HB SER 54 HB1 SER 54 13.332 -20.194 -10.260 424 HG SER 54 HG SER 54 14.300 -18.302 -10.013 425 H LYS 55 HN LYS 55 14.062 -17.995 -7.143 426 HA LYS 55 HA LYS 55 15.620 -19.299 -5.199 427 1HB LYS 55 HB2 LYS 55 14.828 -16.466 -5.716 428 2HB LYS 55 HB1 LYS 55 15.561 -16.858 -4.167 429 1HG LYS 55 HG2 LYS 55 17.492 -16.479 -5.220 430 2HG LYS 55 HG1 LYS 55 17.262 -18.095 -5.891 431 1HD LYS 55 HD2 LYS 55 16.427 -17.254 -7.918 432 2HD LYS 55 HD1 LYS 55 16.129 -15.656 -7.230 433 1HE LYS 55 HE2 LYS 55 18.922 -16.670 -7.241 434 2HE LYS 55 HE1 LYS 55 18.225 -16.159 -8.777 435 1HZ LYS 55 HZ3 LYS 55 17.689 -14.014 -7.734 436 2HZ LYS 55 HZ2 LYS 55 18.467 -14.512 -6.317 437 3HZ LYS 55 HZ1 LYS 55 19.352 -14.324 -7.745 438 H SER 56 HN SER 56 12.546 -17.517 -4.886 439 HA SER 56 HA SER 56 12.242 -17.872 -2.117 440 1HB SER 56 HB2 SER 56 9.944 -17.173 -2.428 441 2HB SER 56 HB1 SER 56 10.990 -16.211 -3.473 442 HG SER 56 HG SER 56 9.576 -16.822 -4.925 443 H THR 57 HN THR 57 11.844 -20.207 -4.635 444 HA THR 57 HA THR 57 9.807 -21.802 -3.594 445 HB THR 57 HB THR 57 12.269 -22.640 -5.142 446 HG1 THR 57 HG1 THR 57 11.145 -21.347 -6.456 447 1HG2 THR 57 1HG2 THR 57 9.708 -24.126 -4.627 448 2HG2 THR 57 3HG2 THR 57 10.851 -24.536 -5.907 449 3HG2 THR 57 2HG2 THR 57 11.349 -24.627 -4.218 450 H ALA 58 HN ALA 58 13.333 -22.107 -3.096 451 HA ALA 58 HA ALA 58 12.901 -24.019 -0.948 452 1HB ALA 58 HB2 ALA 58 14.713 -24.417 -2.527 453 2HB ALA 58 HB1 ALA 58 15.465 -22.890 -2.066 454 3HB ALA 58 HB3 ALA 58 15.338 -24.202 -0.892 455 H ALA 59 HN ALA 59 14.196 -20.736 -1.354 456 HA ALA 59 HA ALA 59 14.998 -20.323 1.306 457 1HB ALA 59 HB3 ALA 59 14.981 -17.930 0.747 458 2HB ALA 59 HB1 ALA 59 14.135 -18.301 -0.756 459 3HB ALA 59 HB2 ALA 59 15.772 -18.902 -0.494 460 H MET 60 HN MET 60 12.070 -19.019 -0.292 461 HA MET 60 HA MET 60 10.887 -18.061 2.063 462 1HB MET 60 HB2 MET 60 10.333 -17.667 -0.493 463 2HB MET 60 HB1 MET 60 9.153 -18.936 -0.197 464 1HG MET 60 HG2 MET 60 7.966 -16.983 0.171 465 2HG MET 60 HG1 MET 60 8.406 -17.511 1.794 466 1HE MET 60 HE1 MET 60 9.615 -16.535 3.320 467 2HE MET 60 HE3 MET 60 10.540 -15.033 3.276 468 3HE MET 60 HE2 MET 60 8.777 -14.982 3.329 469 H SER 61 HN SER 61 11.140 -21.307 0.953 470 HA SER 61 HA SER 61 8.748 -22.353 2.044 471 1HB SER 61 HB2 SER 61 10.185 -23.534 0.378 472 2HB SER 61 HB1 SER 61 11.370 -23.811 1.653 473 HG SER 61 HG SER 61 8.902 -25.004 1.221 474 H THR 62 HN THR 62 11.636 -21.264 3.550 475 HA THR 62 HA THR 62 11.074 -22.771 5.998 476 HB THR 62 HB THR 62 13.256 -21.839 6.787 477 HG1 THR 62 HG1 THR 62 13.872 -20.143 5.715 478 1HG2 THR 62 1HG2 THR 62 13.172 -24.031 5.652 479 2HG2 THR 62 3HG2 THR 62 13.521 -23.215 4.128 480 3HG2 THR 62 2HG2 THR 62 14.702 -23.181 5.437 481 H TYR 63 HN TYR 63 11.658 -19.424 4.922 482 HA TYR 63 HA TYR 63 10.942 -18.208 7.348 483 1HB TYR 63 HB2 TYR 63 11.862 -17.359 4.795 484 2HB TYR 63 HB1 TYR 63 10.407 -16.442 5.167 485 HD1 TYR 63 HD1 TYR 63 10.713 -16.301 8.165 486 HD2 TYR 63 HD2 TYR 63 13.516 -15.700 5.019 487 HE1 TYR 63 HE1 TYR 63 12.021 -14.815 9.622 488 HE2 TYR 63 HE2 TYR 63 14.832 -14.214 6.469 489 HH TYR 63 HH TYR 63 14.894 -14.107 9.427 490 H THR 64 HN THR 64 9.017 -19.697 4.925 491 HA THR 64 HA THR 64 6.697 -18.078 5.251 492 HB THR 64 HB THR 64 7.261 -20.735 4.017 493 HG1 THR 64 HG1 THR 64 7.257 -19.340 2.450 494 1HG2 THR 64 1HG2 THR 64 4.505 -19.808 4.763 495 2HG2 THR 64 3HG2 THR 64 4.816 -20.911 3.423 496 3HG2 THR 64 2HG2 THR 64 5.255 -21.376 5.065 497 H GLY 65 HN GLY 65 7.550 -21.292 6.518 498 1HA GLY 65 HA1 GLY 65 6.815 -22.399 8.402 499 2HA GLY 65 HA2 GLY 65 5.369 -21.394 8.345 500 H ILE 66 HN ILE 66 8.690 -20.243 8.516 501 HA ILE 66 HA ILE 66 8.824 -19.812 11.305 502 HB ILE 66 HB ILE 66 10.341 -18.583 9.008 503 1HG1 ILE 66 2HG1 ILE 66 10.735 -20.979 9.546 504 2HG1 ILE 66 1HG1 ILE 66 12.165 -19.982 9.778 505 1HG2 ILE 66 3HG2 ILE 66 10.551 -18.000 11.941 506 2HG2 ILE 66 2HG2 ILE 66 11.938 -17.822 10.866 507 3HG2 ILE 66 1HG2 ILE 66 10.479 -16.872 10.586 508 1HD1 ILE 66 2HD1 ILE 66 11.744 -19.959 12.188 509 2HD1 ILE 66 1HD1 ILE 66 10.327 -20.980 11.942 510 3HD1 ILE 66 3HD1 ILE 66 11.934 -21.598 11.563 511 H PHE 67 HN PHE 67 8.305 -17.467 8.654 512 HA PHE 67 HA PHE 67 7.770 -15.218 10.176 513 1HB PHE 67 HB2 PHE 67 6.906 -16.083 7.451 514 2HB PHE 67 HB1 PHE 67 6.122 -14.682 8.164 515 HD1 PHE 67 HD1 PHE 67 8.169 -15.153 5.727 516 HD2 PHE 67 HD2 PHE 67 8.416 -13.487 9.637 517 HE1 PHE 67 HE1 PHE 67 10.038 -13.729 5.000 518 HE2 PHE 67 HE2 PHE 67 10.287 -12.062 8.915 519 HZ PHE 67 HZ PHE 67 11.100 -12.183 6.594 520 H THR 68 HN THR 68 5.340 -17.477 8.866 521 HA THR 68 HA THR 68 3.155 -16.333 10.228 522 HB THR 68 HB THR 68 1.948 -18.413 9.651 523 HG1 THR 68 HG1 THR 68 3.309 -20.056 9.738 524 1HG2 THR 68 1HG2 THR 68 3.656 -17.403 7.390 525 2HG2 THR 68 3HG2 THR 68 2.166 -18.333 7.233 526 3HG2 THR 68 2HG2 THR 68 2.124 -16.712 7.926 527 H ASP 69 HN ASP 69 5.636 -18.437 11.313 528 HA ASP 69 HA ASP 69 4.335 -19.857 13.340 529 1HB ASP 69 HB2 ASP 69 6.963 -19.602 12.479 530 2HB ASP 69 HB1 ASP 69 7.009 -18.992 14.129 531 H GLN 70 HN GLN 70 6.146 -16.791 13.657 532 HA GLN 70 HA GLN 70 5.280 -16.327 16.328 533 1HB GLN 70 HB2 GLN 70 6.576 -14.551 14.264 534 2HB GLN 70 HB1 GLN 70 6.164 -13.982 15.876 535 1HG GLN 70 HG2 GLN 70 7.550 -16.272 16.417 536 2HG GLN 70 HG1 GLN 70 8.374 -15.666 14.981 537 1HE2 GLN 70 1HE2 GLN 70 7.409 -14.881 18.267 538 2HE2 GLN 70 2HE2 GLN 70 8.600 -13.657 18.523 539 H VAL 71 HN VAL 71 3.906 -15.631 13.226 540 HA VAL 71 HA VAL 71 2.168 -13.519 14.002 541 HB VAL 71 HB VAL 71 1.922 -15.492 11.716 542 1HG1 VAL 71 2HG1 VAL 71 0.350 -13.014 12.375 543 2HG1 VAL 71 1HG1 VAL 71 0.416 -13.699 10.752 544 3HG1 VAL 71 3HG1 VAL 71 -0.252 -14.645 12.082 545 1HG2 VAL 71 3HG2 VAL 71 3.882 -13.733 11.946 546 2HG2 VAL 71 2HG2 VAL 71 3.102 -14.047 10.396 547 3HG2 VAL 71 1HG2 VAL 71 2.644 -12.632 11.342 548 H LEU 72 HN LEU 72 1.658 -16.986 13.449 549 HA LEU 72 HA LEU 72 -0.975 -17.153 14.385 550 1HB LEU 72 HB2 LEU 72 0.920 -18.933 13.392 551 2HB LEU 72 HB1 LEU 72 0.636 -19.496 15.028 552 HG LEU 72 HG LEU 72 -1.616 -18.993 13.093 553 1HD1 LEU 72 2HD1 LEU 72 -0.098 -20.631 12.103 554 2HD1 LEU 72 1HD1 LEU 72 -0.154 -21.583 13.587 555 3HD1 LEU 72 3HD1 LEU 72 -1.610 -21.380 12.613 556 1HD2 LEU 72 2HD2 LEU 72 -1.368 -20.563 15.655 557 2HD2 LEU 72 1HD2 LEU 72 -2.304 -19.091 15.391 558 3HD2 LEU 72 3HD2 LEU 72 -2.780 -20.592 14.596 559 H SER 73 HN SER 73 2.139 -17.184 16.015 560 HA SER 73 HA SER 73 1.299 -18.013 18.555 561 1HB SER 73 HB2 SER 73 3.702 -17.621 17.681 562 2HB SER 73 HB1 SER 73 3.455 -15.946 18.171 563 HG SER 73 HG SER 73 3.542 -16.518 20.214 564 H VAL 74 HN VAL 74 1.201 -14.859 17.019 565 HA VAL 74 HA VAL 74 0.394 -13.437 19.365 566 HB VAL 74 HB VAL 74 -0.032 -12.648 16.475 567 1HG1 VAL 74 1HG1 VAL 74 -0.248 -11.184 19.075 568 2HG1 VAL 74 3HG1 VAL 74 0.170 -10.319 17.596 569 3HG1 VAL 74 2HG1 VAL 74 -1.355 -11.197 17.702 570 1HG2 VAL 74 2HG2 VAL 74 2.387 -12.819 18.064 571 2HG2 VAL 74 1HG2 VAL 74 2.189 -12.515 16.338 572 3HG2 VAL 74 3HG2 VAL 74 2.092 -11.180 17.485 573 H LEU 75 HN LEU 75 -1.226 -15.506 17.141 574 HA LEU 75 HA LEU 75 -3.845 -14.454 17.300 575 1HB LEU 75 HB2 LEU 75 -2.675 -16.462 15.881 576 2HB LEU 75 HB1 LEU 75 -3.598 -17.378 17.057 577 HG LEU 75 HG LEU 75 -4.931 -15.207 15.478 578 1HD1 LEU 75 3HD1 LEU 75 -4.459 -18.035 14.544 579 2HD1 LEU 75 2HD1 LEU 75 -5.544 -16.871 13.784 580 3HD1 LEU 75 1HD1 LEU 75 -3.808 -16.568 13.813 581 1HD2 LEU 75 3HD2 LEU 75 -5.835 -17.760 16.797 582 2HD2 LEU 75 2HD2 LEU 75 -6.215 -16.106 17.277 583 3HD2 LEU 75 1HD2 LEU 75 -6.868 -16.761 15.775 584 H LYS 76 HN LYS 76 -2.002 -16.646 19.282 585 HA LYS 76 HA LYS 76 -4.158 -17.463 20.967 586 1HB LYS 76 HB2 LYS 76 -1.885 -18.622 20.609 587 2HB LYS 76 HB1 LYS 76 -1.253 -17.460 21.767 588 1HG LYS 76 HG2 LYS 76 -3.671 -18.916 22.610 589 2HG LYS 76 HG1 LYS 76 -2.208 -19.886 22.428 590 1HD LYS 76 HD2 LYS 76 -1.070 -18.044 23.824 591 2HD LYS 76 HD1 LYS 76 -2.711 -17.558 24.253 592 1HE LYS 76 HE2 LYS 76 -2.245 -19.007 25.965 593 2HE LYS 76 HE1 LYS 76 -2.981 -20.110 24.804 594 1HZ LYS 76 HZ3 LYS 76 -0.764 -20.753 24.074 595 2HZ LYS 76 HZ2 LYS 76 -0.064 -19.702 25.199 596 3HZ LYS 76 HZ1 LYS 76 -0.958 -21.035 25.730 597 H GLY 77 HN GLY 77 -1.743 -14.887 21.084 598 1HA GLY 77 HA1 GLY 77 -1.358 -13.276 22.728 599 2HA GLY 77 HA2 GLY 77 -2.625 -13.999 23.706 600 H GLU 78 HN GLU 78 -4.881 -13.648 22.944 601 HA GLU 78 HA GLU 78 -6.608 -12.257 22.465 602 1HB GLU 78 HB2 GLU 78 -4.465 -10.131 22.638 603 2HB GLU 78 HB1 GLU 78 -6.192 -9.811 22.583 604 1HG GLU 78 HG2 GLU 78 -5.778 -9.687 24.829 605 2HG GLU 78 HG1 GLU 78 -6.274 -11.370 24.663 606 H GLU 79 HN GLU 79 -5.105 -13.461 20.245 607 HA GLU 79 HA GLU 79 -5.299 -13.503 17.980 608 1HB GLU 79 HB2 GLU 79 -7.502 -12.198 18.574 609 2HB GLU 79 HB1 GLU 79 -6.638 -10.831 17.885 610 1HG GLU 79 HG2 GLU 79 -7.262 -11.491 15.873 611 2HG GLU 79 HG1 GLU 79 -6.313 -12.962 16.083 No H/Q in entry = 611 Start of MODEL 59 1 H1 THR 1 HT1 THR 1 -4.181 -11.705 40.155 2 H2 THR 1 HT3 THR 1 -3.098 -12.820 40.877 3 H3 THR 1 HT2 THR 1 -3.882 -11.636 41.843 4 HA THR 1 HA THR 1 -2.723 -9.900 40.777 5 HB THR 1 HB THR 1 -0.360 -10.648 41.415 6 HG1 THR 1 HG1 THR 1 -0.244 -12.766 41.255 7 1HG2 THR 1 1HG2 THR 1 -1.959 -9.624 43.030 8 2HG2 THR 1 3HG2 THR 1 -2.429 -11.256 43.505 9 3HG2 THR 1 2HG2 THR 1 -0.770 -10.710 43.748 10 H GLN 2 HN GLN 2 -2.073 -9.134 38.876 11 HA GLN 2 HA GLN 2 -0.807 -10.982 36.961 12 1HB GLN 2 HB2 GLN 2 -3.273 -10.030 36.570 13 2HB GLN 2 HB1 GLN 2 -2.368 -8.664 35.934 14 1HG GLN 2 HG2 GLN 2 -2.165 -11.520 35.000 15 2HG GLN 2 HG1 GLN 2 -2.987 -10.203 34.166 16 1HE2 GLN 2 1HE2 GLN 2 -1.534 -8.261 33.733 17 2HE2 GLN 2 2HE2 GLN 2 0.054 -8.613 33.153 18 H GLN 3 HN GLN 3 1.155 -10.390 36.320 19 HA GLN 3 HA GLN 3 1.889 -7.541 36.435 20 1HB GLN 3 HB2 GLN 3 2.853 -9.013 38.302 21 2HB GLN 3 HB1 GLN 3 3.826 -9.766 37.047 22 1HG GLN 3 HG2 GLN 3 3.835 -6.801 37.486 23 2HG GLN 3 HG1 GLN 3 4.876 -7.884 38.406 24 1HE2 GLN 3 1HE2 GLN 3 4.700 -5.966 35.725 25 2HE2 GLN 3 2HE2 GLN 3 5.989 -6.651 34.802 26 HA PRO 4 HA PRO 4 2.729 -8.646 32.131 27 1HB PRO 4 HB2 PRO 4 3.167 -5.771 31.786 28 2HB PRO 4 HB1 PRO 4 1.942 -6.809 31.055 29 1HG PRO 4 HG2 PRO 4 1.347 -4.942 32.919 30 2HG PRO 4 HG1 PRO 4 0.438 -6.456 32.755 31 1HD PRO 4 HD2 PRO 4 2.566 -5.723 34.733 32 2HD PRO 4 HD1 PRO 4 1.052 -6.620 34.984 33 H GLN 5 HN GLN 5 4.746 -9.631 32.908 34 HA GLN 5 HA GLN 5 7.094 -8.049 33.274 35 1HB GLN 5 HB2 GLN 5 6.584 -10.450 34.121 36 2HB GLN 5 HB1 GLN 5 7.141 -10.961 32.533 37 1HG GLN 5 HG2 GLN 5 8.865 -9.123 34.105 38 2HG GLN 5 HG1 GLN 5 8.768 -10.813 34.596 39 1HE2 GLN 5 1HE2 GLN 5 9.370 -12.435 33.043 40 2HE2 GLN 5 2HE2 GLN 5 10.507 -12.057 31.798 41 H GLN 6 HN GLN 6 7.575 -6.770 31.557 42 HA GLN 6 HA GLN 6 7.408 -7.564 28.840 43 1HB GLN 6 HB2 GLN 6 8.428 -5.222 30.336 44 2HB GLN 6 HB1 GLN 6 9.131 -5.482 28.746 45 1HG GLN 6 HG2 GLN 6 7.276 -3.984 28.549 46 2HG GLN 6 HG1 GLN 6 6.860 -5.516 27.782 47 1HE2 GLN 6 1HE2 GLN 6 6.353 -3.492 30.601 48 2HE2 GLN 6 2HE2 GLN 6 4.867 -4.224 31.092 49 H ASP 7 HN ASP 7 8.590 -9.675 29.069 50 HA ASP 7 HA ASP 7 11.390 -9.694 29.586 51 1HB ASP 7 HB2 ASP 7 9.761 -11.656 29.783 52 2HB ASP 7 HB1 ASP 7 9.886 -11.799 28.033 53 H GLU 8 HN GLU 8 12.357 -8.157 28.252 54 HA GLU 8 HA GLU 8 12.003 -8.102 25.428 55 1HB GLU 8 HB2 GLU 8 13.740 -6.736 27.400 56 2HB GLU 8 HB1 GLU 8 14.366 -6.831 25.759 57 1HG GLU 8 HG2 GLU 8 13.196 -4.764 26.028 58 2HG GLU 8 HG1 GLU 8 12.276 -5.802 24.941 59 H MET 9 HN MET 9 12.366 -10.142 24.590 60 HA MET 9 HA MET 9 14.683 -11.686 25.148 61 1HB MET 9 HB2 MET 9 12.395 -11.860 23.279 62 2HB MET 9 HB1 MET 9 13.859 -12.696 22.779 63 1HG MET 9 HG2 MET 9 13.705 -14.249 24.416 64 2HG MET 9 HG1 MET 9 12.957 -13.135 25.558 65 1HE MET 9 HE2 MET 9 10.400 -12.075 24.744 66 2HE MET 9 HE1 MET 9 9.240 -13.389 24.951 67 3HE MET 9 HE3 MET 9 10.521 -13.146 26.140 68 HA PRO 10 HA PRO 10 16.252 -10.056 20.829 69 1HB PRO 10 HB2 PRO 10 14.737 -7.555 20.475 70 2HB PRO 10 HB1 PRO 10 15.048 -8.852 19.318 71 1HG PRO 10 HG2 PRO 10 12.613 -8.464 20.374 72 2HG PRO 10 HG1 PRO 10 13.225 -10.088 20.010 73 1HD PRO 10 HD2 PRO 10 13.068 -8.667 22.644 74 2HD PRO 10 HD1 PRO 10 12.701 -10.360 22.254 75 H SER 11 HN SER 11 17.465 -7.939 20.162 76 HA SER 11 HA SER 11 18.891 -7.041 22.469 77 1HB SER 11 HB2 SER 11 20.020 -7.395 20.312 78 2HB SER 11 HB1 SER 11 19.060 -6.103 19.592 79 HG SER 11 HG SER 11 20.235 -4.638 20.609 80 HA PRO 12 HA PRO 12 16.540 -3.467 23.603 81 1HB PRO 12 HB2 PRO 12 18.616 -1.858 24.462 82 2HB PRO 12 HB1 PRO 12 17.850 -3.118 25.434 83 1HG PRO 12 HG2 PRO 12 20.394 -3.212 23.869 84 2HG PRO 12 HG1 PRO 12 20.029 -3.902 25.461 85 1HD PRO 12 HD2 PRO 12 20.103 -5.423 23.252 86 2HD PRO 12 HD1 PRO 12 18.938 -5.734 24.556 87 H THR 13 HN THR 13 19.600 -2.742 21.899 88 HA THR 13 HA THR 13 18.647 -0.280 20.819 89 HB THR 13 HB THR 13 20.713 -0.465 19.356 90 HG1 THR 13 HG1 THR 13 21.444 -2.632 21.001 91 1HG2 THR 13 1HG2 THR 13 21.153 -0.773 22.316 92 2HG2 THR 13 3HG2 THR 13 22.320 -0.145 21.152 93 3HG2 THR 13 2HG2 THR 13 20.824 0.735 21.464 94 H PHE 14 HN PHE 14 16.665 -0.868 19.828 95 HA PHE 14 HA PHE 14 16.967 -2.311 17.274 96 1HB PHE 14 HB2 PHE 14 14.980 -2.536 19.406 97 2HB PHE 14 HB1 PHE 14 14.248 -2.277 17.826 98 HD1 PHE 14 HD1 PHE 14 13.322 -4.341 17.302 99 HD2 PHE 14 HD2 PHE 14 17.350 -4.149 18.664 100 HE1 PHE 14 HE1 PHE 14 13.609 -6.728 16.780 101 HE2 PHE 14 HE2 PHE 14 17.644 -6.534 18.142 102 HZ PHE 14 HZ PHE 14 15.772 -7.827 17.199 103 H LEU 15 HN LEU 15 14.851 0.130 18.818 104 HA LEU 15 HA LEU 15 13.988 1.302 16.407 105 1HB LEU 15 HB2 LEU 15 13.937 2.070 19.280 106 2HB LEU 15 HB1 LEU 15 13.675 3.345 18.105 107 HG LEU 15 HG LEU 15 11.557 2.443 18.902 108 1HD1 LEU 15 1HD1 LEU 15 11.837 3.243 16.541 109 2HD1 LEU 15 3HD1 LEU 15 11.986 1.553 16.061 110 3HD1 LEU 15 2HD1 LEU 15 10.495 2.131 16.804 111 1HD2 LEU 15 3HD2 LEU 15 12.433 0.159 19.398 112 2HD2 LEU 15 2HD2 LEU 15 10.889 0.177 18.546 113 3HD2 LEU 15 1HD2 LEU 15 12.377 -0.180 17.668 114 H THR 16 HN THR 16 16.547 2.258 18.691 115 HA THR 16 HA THR 16 17.421 4.556 17.365 116 HB THR 16 HB THR 16 18.098 3.916 19.660 117 HG1 THR 16 HG1 THR 16 20.313 4.290 17.929 118 1HG2 THR 16 1HG2 THR 16 18.590 1.508 19.146 119 2HG2 THR 16 3HG2 THR 16 20.100 2.057 18.417 120 3HG2 THR 16 2HG2 THR 16 19.792 2.345 20.129 121 H GLN 17 HN GLN 17 18.217 1.159 16.840 122 HA GLN 17 HA GLN 17 20.395 1.510 15.098 123 1HB GLN 17 HB2 GLN 17 19.450 -0.640 16.242 124 2HB GLN 17 HB1 GLN 17 18.465 -0.768 14.791 125 1HG GLN 17 HG2 GLN 17 20.852 -0.409 13.650 126 2HG GLN 17 HG1 GLN 17 21.369 -1.159 15.159 127 1HE2 GLN 17 1HE2 GLN 17 19.928 -1.637 12.095 128 2HE2 GLN 17 2HE2 GLN 17 19.654 -3.336 12.236 129 H VAL 18 HN VAL 18 16.947 0.972 14.391 130 HA VAL 18 HA VAL 18 16.662 0.845 11.771 131 HB VAL 18 HB VAL 18 15.150 2.860 13.439 132 1HG1 VAL 18 3HG1 VAL 18 14.601 1.663 10.736 133 2HG1 VAL 18 2HG1 VAL 18 13.329 2.362 11.739 134 3HG1 VAL 18 1HG1 VAL 18 14.671 3.366 11.189 135 1HG2 VAL 18 3HG2 VAL 18 14.967 -0.090 13.118 136 2HG2 VAL 18 2HG2 VAL 18 14.696 0.913 14.543 137 3HG2 VAL 18 1HG2 VAL 18 13.467 0.823 13.283 138 H LYS 19 HN LYS 19 17.183 4.025 13.321 139 HA LYS 19 HA LYS 19 17.246 5.605 11.065 140 1HB LYS 19 HB2 LYS 19 18.724 5.861 13.675 141 2HB LYS 19 HB1 LYS 19 18.811 7.096 12.427 142 1HG LYS 19 HG2 LYS 19 16.158 6.164 13.439 143 2HG LYS 19 HG1 LYS 19 17.103 7.343 14.351 144 1HD LYS 19 HD2 LYS 19 16.035 8.848 13.063 145 2HD LYS 19 HD1 LYS 19 17.235 8.394 11.851 146 1HE LYS 19 HE2 LYS 19 15.697 6.785 10.890 147 2HE LYS 19 HE1 LYS 19 14.511 7.131 12.148 148 1HZ LYS 19 HZ1 LYS 19 15.492 9.084 10.134 149 2HZ LYS 19 HZ3 LYS 19 14.005 8.279 10.072 150 3HZ LYS 19 HZ2 LYS 19 14.318 9.382 11.316 151 H GLU 20 HN GLU 20 20.076 4.105 12.638 152 HA GLU 20 HA GLU 20 21.931 4.942 10.687 153 1HB GLU 20 HB2 GLU 20 22.139 2.519 12.481 154 2HB GLU 20 HB1 GLU 20 23.468 3.348 11.685 155 1HG GLU 20 HG2 GLU 20 21.809 4.261 14.004 156 2HG GLU 20 HG1 GLU 20 23.557 4.070 13.898 157 H SER 21 HN SER 21 19.753 2.242 10.850 158 HA SER 21 HA SER 21 20.940 0.578 8.902 159 1HB SER 21 HB2 SER 21 17.966 0.788 9.386 160 2HB SER 21 HB1 SER 21 18.884 -0.619 8.853 161 HG SER 21 HG SER 21 18.214 -0.453 11.172 162 H LEU 22 HN LEU 22 18.514 3.153 8.663 163 HA LEU 22 HA LEU 22 18.144 2.915 5.848 164 1HB LEU 22 HB2 LEU 22 16.579 3.979 7.580 165 2HB LEU 22 HB1 LEU 22 17.615 5.388 7.476 166 HG LEU 22 HG LEU 22 17.034 4.867 4.830 167 1HD1 LEU 22 1HD1 LEU 22 15.369 3.200 5.475 168 2HD1 LEU 22 3HD1 LEU 22 14.544 4.403 6.466 169 3HD1 LEU 22 2HD1 LEU 22 14.617 4.602 4.715 170 1HD2 LEU 22 3HD2 LEU 22 17.112 7.052 5.945 171 2HD2 LEU 22 2HD2 LEU 22 15.657 6.863 4.966 172 3HD2 LEU 22 1HD2 LEU 22 15.567 6.702 6.721 173 H SER 23 HN SER 23 20.256 4.847 7.909 174 HA SER 23 HA SER 23 21.184 6.668 6.003 175 1HB SER 23 HB2 SER 23 22.659 5.510 8.381 176 2HB SER 23 HB1 SER 23 23.150 6.946 7.484 177 HG SER 23 HG SER 23 21.154 6.625 9.359 178 H SER 24 HN SER 24 22.672 3.597 7.041 179 HA SER 24 HA SER 24 24.725 3.627 5.104 180 1HB SER 24 HB2 SER 24 23.496 1.388 6.715 181 2HB SER 24 HB1 SER 24 24.852 1.138 5.616 182 HG SER 24 HG SER 24 24.751 2.517 8.045 183 H TYR 25 HN TYR 25 21.372 2.930 4.844 184 HA TYR 25 HA TYR 25 21.566 1.195 2.559 185 1HB TYR 25 HB2 TYR 25 19.629 1.132 4.116 186 2HB TYR 25 HB1 TYR 25 19.176 2.746 3.581 187 HD1 TYR 25 HD1 TYR 25 18.213 3.101 1.368 188 HD2 TYR 25 HD2 TYR 25 19.274 -0.802 2.690 189 HE1 TYR 25 HE1 TYR 25 16.893 2.131 -0.463 190 HE2 TYR 25 HE2 TYR 25 17.957 -1.783 0.860 191 HH TYR 25 HH TYR 25 17.075 -0.321 -1.768 192 H TRP 26 HN TRP 26 20.946 4.636 3.119 193 HA TRP 26 HA TRP 26 20.346 5.339 0.456 194 1HB TRP 26 HB2 TRP 26 20.917 6.733 2.961 195 2HB TRP 26 HB1 TRP 26 21.512 7.599 1.549 196 HD1 TRP 26 HD1 TRP 26 19.802 9.381 0.914 197 HE1 TRP 26 HE1 TRP 26 17.238 9.503 0.725 198 HE3 TRP 26 HE3 TRP 26 18.638 4.684 2.568 199 HZ2 TRP 26 HZ2 TRP 26 15.017 7.831 1.212 200 HZ3 TRP 26 HZ3 TRP 26 16.271 4.026 2.675 201 HH2 TRP 26 HH2 TRP 26 14.499 5.567 2.012 202 H GLU 27 HN GLU 27 23.378 5.058 2.207 203 HA GLU 27 HA GLU 27 25.227 6.317 0.684 204 1HB GLU 27 HB2 GLU 27 25.443 3.535 1.851 205 2HB GLU 27 HB1 GLU 27 26.808 4.467 1.254 206 1HG GLU 27 HG2 GLU 27 26.180 6.240 2.932 207 2HG GLU 27 HG1 GLU 27 25.055 5.068 3.617 208 H SER 28 HN SER 28 24.267 2.934 0.115 209 HA SER 28 HA SER 28 25.320 3.061 -2.596 210 1HB SER 28 HB2 SER 28 25.610 1.086 -0.945 211 2HB SER 28 HB1 SER 28 23.956 0.667 -1.387 212 HG SER 28 HG SER 28 26.290 0.575 -2.908 213 H ALA 29 HN ALA 29 22.378 3.749 -1.114 214 HA ALA 29 HA ALA 29 20.500 2.613 -2.869 215 1HB ALA 29 HB1 ALA 29 19.826 3.614 -0.768 216 2HB ALA 29 HB2 ALA 29 18.969 4.376 -2.105 217 3HB ALA 29 HB3 ALA 29 20.323 5.206 -1.341 218 H LYS 30 HN LYS 30 22.446 5.544 -3.142 219 HA LYS 30 HA LYS 30 21.148 6.826 -5.222 220 1HB LYS 30 HB2 LYS 30 23.755 6.943 -3.996 221 2HB LYS 30 HB1 LYS 30 23.898 7.148 -5.735 222 1HG LYS 30 HG2 LYS 30 22.442 9.029 -5.716 223 2HG LYS 30 HG1 LYS 30 22.004 8.744 -4.031 224 1HD LYS 30 HD2 LYS 30 24.886 9.090 -4.591 225 2HD LYS 30 HD1 LYS 30 23.874 10.520 -4.805 226 1HE LYS 30 HE2 LYS 30 24.404 10.733 -2.590 227 2HE LYS 30 HE1 LYS 30 22.920 9.790 -2.463 228 1HZ LYS 30 HZ3 LYS 30 25.634 8.586 -2.498 229 2HZ LYS 30 HZ2 LYS 30 24.798 8.968 -1.078 230 3HZ LYS 30 HZ1 LYS 30 24.173 7.810 -2.141 231 H THR 31 HN THR 31 23.711 4.371 -5.487 232 HA THR 31 HA THR 31 23.960 4.207 -8.223 233 HB THR 31 HB THR 31 23.896 1.753 -6.466 234 HG1 THR 31 HG1 THR 31 25.360 2.711 -5.317 235 1HG2 THR 31 1HG2 THR 31 25.602 2.486 -8.832 236 2HG2 THR 31 3HG2 THR 31 25.767 1.024 -7.861 237 3HG2 THR 31 2HG2 THR 31 24.301 1.297 -8.803 238 H ALA 32 HN ALA 32 21.510 2.823 -6.113 239 HA ALA 32 HA ALA 32 20.160 1.267 -8.039 240 1HB ALA 32 HB3 ALA 32 18.662 2.548 -5.801 241 2HB ALA 32 HB2 ALA 32 18.553 0.907 -6.438 242 3HB ALA 32 HB1 ALA 32 19.924 1.373 -5.431 243 H ALA 33 HN ALA 33 19.724 4.636 -6.975 244 HA ALA 33 HA ALA 33 17.426 5.312 -8.326 245 1HB ALA 33 HB3 ALA 33 18.781 6.764 -6.762 246 2HB ALA 33 HB2 ALA 33 19.789 7.161 -8.155 247 3HB ALA 33 HB1 ALA 33 18.075 7.579 -8.157 248 H GLN 34 HN GLN 34 20.714 5.794 -9.631 249 HA GLN 34 HA GLN 34 19.802 6.429 -12.229 250 1HB GLN 34 HB2 GLN 34 22.144 6.066 -12.935 251 2HB GLN 34 HB1 GLN 34 22.029 7.085 -11.508 252 1HG GLN 34 HG2 GLN 34 22.388 4.832 -10.234 253 2HG GLN 34 HG1 GLN 34 23.058 4.302 -11.775 254 1HE2 GLN 34 1HE2 GLN 34 24.881 5.442 -12.625 255 2HE2 GLN 34 2HE2 GLN 34 25.951 6.289 -11.567 256 H ASN 35 HN ASN 35 20.619 3.416 -10.630 257 HA ASN 35 HA ASN 35 20.691 1.756 -12.906 258 1HB ASN 35 HB2 ASN 35 21.414 1.197 -10.501 259 2HB ASN 35 HB1 ASN 35 19.715 0.842 -10.205 260 1HD2 ASN 35 1HD2 ASN 35 22.469 0.001 -12.242 261 2HD2 ASN 35 2HD2 ASN 35 21.968 -1.622 -12.554 262 H LEU 36 HN LEU 36 18.060 3.092 -11.084 263 HA LEU 36 HA LEU 36 15.962 1.420 -11.858 264 1HB LEU 36 HB2 LEU 36 16.036 3.496 -10.229 265 2HB LEU 36 HB1 LEU 36 15.567 4.384 -11.666 266 HG LEU 36 HG LEU 36 13.657 2.623 -11.833 267 1HD1 LEU 36 1HD1 LEU 36 14.511 1.135 -10.097 268 2HD1 LEU 36 3HD1 LEU 36 14.365 2.430 -8.909 269 3HD1 LEU 36 2HD1 LEU 36 12.921 1.766 -9.671 270 1HD2 LEU 36 1HD2 LEU 36 13.344 5.012 -11.400 271 2HD2 LEU 36 3HD2 LEU 36 12.230 4.029 -10.448 272 3HD2 LEU 36 2HD2 LEU 36 13.652 4.741 -9.685 273 H TYR 37 HN TYR 37 17.366 4.300 -13.294 274 HA TYR 37 HA TYR 37 15.762 4.373 -15.628 275 1HB TYR 37 HB2 TYR 37 17.648 6.038 -14.534 276 2HB TYR 37 HB1 TYR 37 18.519 5.372 -15.911 277 HD1 TYR 37 HD1 TYR 37 15.286 7.003 -15.018 278 HD2 TYR 37 HD2 TYR 37 18.218 6.310 -18.023 279 HE1 TYR 37 HE1 TYR 37 14.133 8.587 -16.501 280 HE2 TYR 37 HE2 TYR 37 17.075 7.894 -19.513 281 HH TYR 37 HH TYR 37 15.249 10.106 -18.801 282 H GLU 38 HN GLU 38 18.772 2.778 -14.765 283 HA GLU 38 HA GLU 38 19.582 1.875 -17.284 284 1HB GLU 38 HB2 GLU 38 20.985 1.762 -15.244 285 2HB GLU 38 HB1 GLU 38 19.961 0.472 -14.633 286 1HG GLU 38 HG2 GLU 38 21.125 0.048 -17.308 287 2HG GLU 38 HG1 GLU 38 22.253 0.058 -15.954 288 H LYS 39 HN LYS 39 17.750 0.091 -14.821 289 HA LYS 39 HA LYS 39 17.203 -2.160 -16.394 290 1HB LYS 39 HB2 LYS 39 16.368 -1.109 -13.805 291 2HB LYS 39 HB1 LYS 39 15.090 -2.008 -14.611 292 1HG LYS 39 HG2 LYS 39 16.189 -3.607 -13.334 293 2HG LYS 39 HG1 LYS 39 16.845 -3.838 -14.955 294 1HD LYS 39 HD2 LYS 39 18.735 -2.287 -14.235 295 2HD LYS 39 HD1 LYS 39 18.134 -2.501 -12.590 296 1HE LYS 39 HE2 LYS 39 18.365 -4.968 -12.913 297 2HE LYS 39 HE1 LYS 39 19.147 -4.638 -14.457 298 1HZ LYS 39 HZ2 LYS 39 20.134 -3.587 -11.864 299 2HZ LYS 39 HZ1 LYS 39 20.694 -5.021 -12.567 300 3HZ LYS 39 HZ3 LYS 39 20.926 -3.543 -13.359 301 H THR 40 HN THR 40 15.930 0.984 -16.717 302 HA THR 40 HA THR 40 13.281 0.379 -17.507 303 HB THR 40 HB THR 40 15.015 2.670 -18.455 304 HG1 THR 40 HG1 THR 40 14.230 3.783 -16.711 305 1HG2 THR 40 1HG2 THR 40 12.026 2.357 -18.382 306 2HG2 THR 40 3HG2 THR 40 12.868 3.883 -18.656 307 3HG2 THR 40 2HG2 THR 40 13.048 2.559 -19.806 308 H TYR 41 HN TYR 41 16.163 1.038 -19.445 309 HA TYR 41 HA TYR 41 15.033 0.266 -21.926 310 1HB TYR 41 HB2 TYR 41 17.964 0.314 -21.173 311 2HB TYR 41 HB1 TYR 41 17.296 0.373 -22.800 312 HD1 TYR 41 HD1 TYR 41 18.192 2.280 -19.867 313 HD2 TYR 41 HD2 TYR 41 16.024 2.411 -23.527 314 HE1 TYR 41 HE1 TYR 41 18.156 4.735 -19.750 315 HE2 TYR 41 HE2 TYR 41 15.983 4.868 -23.419 316 HH TYR 41 HH TYR 41 16.202 6.616 -21.156 317 H LEU 42 HN LEU 42 16.837 -1.490 -19.452 318 HA LEU 42 HA LEU 42 17.256 -3.852 -20.981 319 1HB LEU 42 HB2 LEU 42 18.103 -2.866 -18.519 320 2HB LEU 42 HB1 LEU 42 17.162 -4.288 -18.112 321 HG LEU 42 HG LEU 42 18.626 -5.442 -19.951 322 1HD1 LEU 42 2HD1 LEU 42 20.263 -3.025 -19.216 323 2HD1 LEU 42 1HD1 LEU 42 20.940 -4.487 -19.932 324 3HD1 LEU 42 3HD1 LEU 42 19.752 -3.536 -20.825 325 1HD2 LEU 42 2HD2 LEU 42 19.606 -4.707 -17.198 326 2HD2 LEU 42 1HD2 LEU 42 18.666 -6.128 -17.656 327 3HD2 LEU 42 3HD2 LEU 42 20.331 -5.956 -18.211 328 HA PRO 43 HA PRO 43 13.280 -5.756 -20.316 329 1HB PRO 43 HB2 PRO 43 13.715 -8.019 -21.645 330 2HB PRO 43 HB1 PRO 43 13.726 -6.463 -22.483 331 1HG PRO 43 HG2 PRO 43 16.008 -8.198 -21.682 332 2HG PRO 43 HG1 PRO 43 15.831 -7.155 -23.102 333 1HD PRO 43 HD2 PRO 43 17.196 -6.540 -20.700 334 2HD PRO 43 HD1 PRO 43 16.817 -5.423 -22.025 335 H ALA 44 HN ALA 44 15.445 -6.133 -18.183 336 HA ALA 44 HA ALA 44 15.460 -8.826 -17.336 337 1HB ALA 44 HB2 ALA 44 15.892 -6.321 -15.718 338 2HB ALA 44 HB1 ALA 44 16.311 -7.958 -15.216 339 3HB ALA 44 HB3 ALA 44 17.129 -7.221 -16.594 340 H VAL 45 HN VAL 45 13.001 -6.462 -17.174 341 HA VAL 45 HA VAL 45 11.642 -6.781 -14.864 342 HB VAL 45 HB VAL 45 10.382 -6.705 -17.610 343 1HG1 VAL 45 1HG1 VAL 45 9.244 -6.256 -14.863 344 2HG1 VAL 45 3HG1 VAL 45 8.484 -5.615 -16.320 345 3HG1 VAL 45 2HG1 VAL 45 8.677 -7.357 -16.120 346 1HG2 VAL 45 3HG2 VAL 45 11.375 -4.573 -15.747 347 2HG2 VAL 45 2HG2 VAL 45 11.720 -4.794 -17.462 348 3HG2 VAL 45 1HG2 VAL 45 10.129 -4.237 -16.947 349 H ASP 46 HN ASP 46 10.985 -8.838 -17.719 350 HA ASP 46 HA ASP 46 9.321 -10.640 -16.330 351 1HB ASP 46 HB2 ASP 46 10.841 -10.943 -18.924 352 2HB ASP 46 HB1 ASP 46 9.686 -12.129 -18.324 353 H GLU 47 HN GLU 47 12.796 -10.540 -16.782 354 HA GLU 47 HA GLU 47 13.327 -13.238 -16.063 355 1HB GLU 47 HB2 GLU 47 14.926 -11.733 -17.250 356 2HB GLU 47 HB1 GLU 47 15.142 -10.838 -15.753 357 1HG GLU 47 HG2 GLU 47 16.955 -12.432 -16.181 358 2HG GLU 47 HG1 GLU 47 16.096 -12.766 -14.680 359 H LYS 48 HN LYS 48 13.135 -10.239 -14.188 360 HA LYS 48 HA LYS 48 14.054 -11.214 -11.733 361 1HB LYS 48 HB2 LYS 48 12.640 -8.852 -12.692 362 2HB LYS 48 HB1 LYS 48 12.155 -9.309 -11.065 363 1HG LYS 48 HG2 LYS 48 13.936 -7.758 -10.869 364 2HG LYS 48 HG1 LYS 48 14.577 -9.345 -10.443 365 1HD LYS 48 HD2 LYS 48 14.833 -8.781 -13.283 366 2HD LYS 48 HD1 LYS 48 15.646 -7.573 -12.287 367 1HE LYS 48 HE2 LYS 48 17.346 -8.990 -12.076 368 2HE LYS 48 HE1 LYS 48 16.288 -10.037 -11.134 369 1HZ LYS 48 HZ1 LYS 48 16.338 -10.157 -14.087 370 2HZ LYS 48 HZ3 LYS 48 17.443 -11.032 -13.151 371 3HZ LYS 48 HZ2 LYS 48 15.786 -11.323 -12.993 372 H LEU 49 HN LEU 49 10.966 -11.633 -13.305 373 HA LEU 49 HA LEU 49 9.411 -12.289 -11.043 374 1HB LEU 49 HB2 LEU 49 9.191 -12.716 -13.977 375 2HB LEU 49 HB1 LEU 49 8.220 -13.755 -12.951 376 HG LEU 49 HG LEU 49 7.418 -11.541 -11.859 377 1HD1 LEU 49 2HD1 LEU 49 8.472 -10.538 -14.499 378 2HD1 LEU 49 1HD1 LEU 49 7.395 -9.643 -13.426 379 3HD1 LEU 49 3HD1 LEU 49 9.024 -10.058 -12.894 380 1HD2 LEU 49 2HD2 LEU 49 6.010 -13.043 -13.178 381 2HD2 LEU 49 1HD2 LEU 49 5.631 -11.352 -13.505 382 3HD2 LEU 49 3HD2 LEU 49 6.585 -12.283 -14.661 383 H ARG 50 HN ARG 50 10.768 -14.491 -13.501 384 HA ARG 50 HA ARG 50 10.463 -16.827 -11.947 385 1HB ARG 50 HB2 ARG 50 12.316 -16.237 -14.264 386 2HB ARG 50 HB1 ARG 50 12.063 -17.838 -13.582 387 1HG ARG 50 HG2 ARG 50 9.521 -17.197 -14.080 388 2HG ARG 50 HG1 ARG 50 10.306 -16.210 -15.313 389 1HD ARG 50 HD2 ARG 50 10.783 -17.989 -16.569 390 2HD ARG 50 HD1 ARG 50 11.422 -18.883 -15.192 391 HE ARG 50 HE ARG 50 8.793 -19.095 -16.331 392 1HH1 ARG 50 1HH1 ARG 50 10.687 -19.576 -13.421 393 2HH1 ARG 50 2HH1 ARG 50 9.602 -20.754 -12.765 394 1HH2 ARG 50 1HH2 ARG 50 7.370 -20.647 -15.458 395 2HH2 ARG 50 2HH2 ARG 50 7.720 -21.362 -13.920 396 H ASP 51 HN ASP 51 12.969 -14.386 -12.125 397 HA ASP 51 HA ASP 51 15.125 -15.744 -10.997 398 1HB ASP 51 HB2 ASP 51 14.433 -13.011 -11.549 399 2HB ASP 51 HB1 ASP 51 15.169 -13.110 -9.955 400 H LEU 52 HN LEU 52 12.782 -13.659 -9.291 401 HA LEU 52 HA LEU 52 13.651 -14.467 -6.705 402 1HB LEU 52 HB2 LEU 52 11.375 -12.872 -7.788 403 2HB LEU 52 HB1 LEU 52 11.274 -13.450 -6.136 404 HG LEU 52 HG LEU 52 13.605 -12.345 -5.845 405 1HD1 LEU 52 2HD1 LEU 52 13.991 -11.925 -8.227 406 2HD1 LEU 52 1HD1 LEU 52 12.593 -10.851 -8.261 407 3HD1 LEU 52 3HD1 LEU 52 14.003 -10.432 -7.288 408 1HD2 LEU 52 2HD2 LEU 52 11.564 -11.579 -4.752 409 2HD2 LEU 52 1HD2 LEU 52 12.548 -10.215 -5.281 410 3HD2 LEU 52 3HD2 LEU 52 11.116 -10.678 -6.200 411 H TYR 53 HN TYR 53 11.470 -15.835 -9.011 412 HA TYR 53 HA TYR 53 9.805 -17.295 -7.243 413 1HB TYR 53 HB2 TYR 53 10.136 -17.023 -10.082 414 2HB TYR 53 HB1 TYR 53 10.046 -18.732 -9.675 415 HD1 TYR 53 HD1 TYR 53 8.075 -19.433 -8.118 416 HD2 TYR 53 HD2 TYR 53 8.177 -15.800 -10.330 417 HE1 TYR 53 HE1 TYR 53 5.629 -19.266 -7.947 418 HE2 TYR 53 HE2 TYR 53 5.732 -15.622 -10.164 419 HH TYR 53 HH TYR 53 3.757 -17.779 -9.702 420 H SER 54 HN SER 54 12.767 -18.164 -9.022 421 HA SER 54 HA SER 54 12.907 -20.838 -8.171 422 1HB SER 54 HB2 SER 54 15.295 -20.726 -8.806 423 2HB SER 54 HB1 SER 54 14.259 -20.005 -10.037 424 HG SER 54 HG SER 54 15.025 -18.059 -9.569 425 H LYS 55 HN LYS 55 14.374 -17.891 -6.820 426 HA LYS 55 HA LYS 55 15.711 -19.116 -4.667 427 1HB LYS 55 HB2 LYS 55 14.582 -16.312 -4.807 428 2HB LYS 55 HB1 LYS 55 15.806 -16.876 -3.680 429 1HG LYS 55 HG2 LYS 55 17.453 -16.944 -5.286 430 2HG LYS 55 HG1 LYS 55 16.300 -17.101 -6.613 431 1HD LYS 55 HD2 LYS 55 15.545 -14.718 -5.863 432 2HD LYS 55 HD1 LYS 55 17.134 -14.660 -5.100 433 1HE LYS 55 HE2 LYS 55 18.253 -14.730 -7.112 434 2HE LYS 55 HE1 LYS 55 16.917 -15.523 -7.948 435 1HZ LYS 55 HZ2 LYS 55 15.674 -13.415 -7.776 436 2HZ LYS 55 HZ1 LYS 55 17.040 -12.677 -7.105 437 3HZ LYS 55 HZ3 LYS 55 17.089 -13.267 -8.690 438 H SER 56 HN SER 56 12.410 -17.970 -5.053 439 HA SER 56 HA SER 56 11.602 -18.009 -2.370 440 1HB SER 56 HB2 SER 56 10.319 -16.900 -4.129 441 2HB SER 56 HB1 SER 56 9.956 -18.459 -4.868 442 HG SER 56 HG SER 56 8.667 -17.208 -2.892 443 H THR 57 HN THR 57 12.221 -20.706 -4.475 444 HA THR 57 HA THR 57 10.407 -22.576 -3.482 445 HB THR 57 HB THR 57 11.984 -24.301 -4.255 446 HG1 THR 57 HG1 THR 57 14.009 -23.830 -4.134 447 1HG2 THR 57 2HG2 THR 57 11.745 -21.958 -6.123 448 2HG2 THR 57 1HG2 THR 57 12.279 -23.571 -6.595 449 3HG2 THR 57 3HG2 THR 57 10.644 -23.329 -5.979 450 H ALA 58 HN ALA 58 13.795 -22.081 -2.442 451 HA ALA 58 HA ALA 58 13.331 -23.699 -0.073 452 1HB ALA 58 HB2 ALA 58 15.418 -23.966 -1.308 453 2HB ALA 58 HB1 ALA 58 15.826 -22.279 -0.994 454 3HB ALA 58 HB3 ALA 58 15.717 -23.423 0.343 455 H ALA 59 HN ALA 59 14.048 -20.314 -0.860 456 HA ALA 59 HA ALA 59 14.377 -19.382 1.767 457 1HB ALA 59 HB1 ALA 59 14.066 -17.159 0.854 458 2HB ALA 59 HB2 ALA 59 13.383 -17.837 -0.623 459 3HB ALA 59 HB3 ALA 59 15.075 -18.126 -0.220 460 H MET 60 HN MET 60 11.498 -18.983 -0.328 461 HA MET 60 HA MET 60 9.844 -17.949 1.686 462 1HB MET 60 HB2 MET 60 9.569 -18.045 -0.924 463 2HB MET 60 HB1 MET 60 8.671 -19.516 -0.571 464 1HG MET 60 HG2 MET 60 7.733 -17.533 1.200 465 2HG MET 60 HG1 MET 60 7.823 -16.802 -0.401 466 1HE MET 60 HE2 MET 60 5.362 -17.117 1.354 467 2HE MET 60 HE1 MET 60 4.863 -16.617 -0.262 468 3HE MET 60 HE3 MET 60 4.078 -17.990 0.518 469 H SER 61 HN SER 61 10.527 -21.297 0.799 470 HA SER 61 HA SER 61 8.339 -22.451 2.186 471 1HB SER 61 HB2 SER 61 9.508 -24.566 1.956 472 2HB SER 61 HB1 SER 61 9.664 -23.649 0.459 473 HG SER 61 HG SER 61 11.590 -24.360 2.322 474 H THR 62 HN THR 62 11.199 -20.989 3.337 475 HA THR 62 HA THR 62 11.059 -22.387 5.908 476 HB THR 62 HB THR 62 13.117 -20.385 4.945 477 HG1 THR 62 HG1 THR 62 13.587 -22.059 3.720 478 1HG2 THR 62 2HG2 THR 62 13.134 -22.280 7.280 479 2HG2 THR 62 1HG2 THR 62 14.539 -21.389 6.695 480 3HG2 THR 62 3HG2 THR 62 13.146 -20.517 7.336 481 H TYR 63 HN TYR 63 11.183 -19.076 4.596 482 HA TYR 63 HA TYR 63 10.572 -17.767 7.002 483 1HB TYR 63 HB2 TYR 63 10.272 -16.887 4.127 484 2HB TYR 63 HB1 TYR 63 10.020 -15.825 5.508 485 HD1 TYR 63 HD1 TYR 63 12.106 -16.027 7.279 486 HD2 TYR 63 HD2 TYR 63 12.299 -16.647 3.073 487 HE1 TYR 63 HE1 TYR 63 14.508 -15.507 7.318 488 HE2 TYR 63 HE2 TYR 63 14.701 -16.129 3.101 489 HH TYR 63 HH TYR 63 16.223 -14.556 5.087 490 H THR 64 HN THR 64 8.580 -19.523 4.791 491 HA THR 64 HA THR 64 6.164 -18.117 5.324 492 HB THR 64 HB THR 64 6.804 -20.788 4.120 493 HG1 THR 64 HG1 THR 64 5.410 -18.488 3.215 494 1HG2 THR 64 2HG2 THR 64 4.072 -19.884 4.964 495 2HG2 THR 64 1HG2 THR 64 4.327 -20.996 3.620 496 3HG2 THR 64 3HG2 THR 64 4.855 -21.440 5.244 497 H GLY 65 HN GLY 65 7.260 -21.314 6.455 498 1HA GLY 65 HA1 GLY 65 6.811 -22.436 8.414 499 2HA GLY 65 HA2 GLY 65 5.302 -21.530 8.484 500 H ILE 66 HN ILE 66 8.554 -20.178 8.408 501 HA ILE 66 HA ILE 66 8.865 -19.750 11.183 502 HB ILE 66 HB ILE 66 10.149 -18.458 8.784 503 1HG1 ILE 66 2HG1 ILE 66 10.709 -20.824 9.400 504 2HG1 ILE 66 1HG1 ILE 66 12.088 -19.731 9.423 505 1HG2 ILE 66 3HG2 ILE 66 10.492 -17.774 11.682 506 2HG2 ILE 66 2HG2 ILE 66 11.804 -17.548 10.526 507 3HG2 ILE 66 1HG2 ILE 66 10.276 -16.696 10.303 508 1HD1 ILE 66 3HD1 ILE 66 10.555 -20.422 11.908 509 2HD1 ILE 66 2HD1 ILE 66 11.898 -21.400 11.317 510 3HD1 ILE 66 1HD1 ILE 66 12.164 -19.715 11.767 511 H PHE 67 HN PHE 67 8.066 -17.395 8.610 512 HA PHE 67 HA PHE 67 7.503 -15.209 10.212 513 1HB PHE 67 HB2 PHE 67 6.354 -16.043 7.556 514 2HB PHE 67 HB1 PHE 67 5.861 -14.549 8.341 515 HD1 PHE 67 HD1 PHE 67 6.783 -13.899 5.921 516 HD2 PHE 67 HD2 PHE 67 9.188 -15.068 9.234 517 HE1 PHE 67 HE1 PHE 67 8.712 -12.746 4.925 518 HE2 PHE 67 HE2 PHE 67 11.120 -13.915 8.242 519 HZ PHE 67 HZ PHE 67 10.884 -12.752 6.085 520 H THR 68 HN THR 68 5.145 -17.600 9.013 521 HA THR 68 HA THR 68 2.962 -16.576 10.467 522 HB THR 68 HB THR 68 1.849 -18.719 9.955 523 HG1 THR 68 HG1 THR 68 3.288 -20.293 10.007 524 1HG2 THR 68 2HG2 THR 68 3.412 -17.588 7.649 525 2HG2 THR 68 1HG2 THR 68 2.047 -18.694 7.504 526 3HG2 THR 68 3HG2 THR 68 1.812 -17.087 8.194 527 H ASP 69 HN ASP 69 5.621 -18.493 11.460 528 HA ASP 69 HA ASP 69 4.509 -19.981 13.551 529 1HB ASP 69 HB2 ASP 69 6.943 -19.966 12.605 530 2HB ASP 69 HB1 ASP 69 7.228 -18.733 13.828 531 H GLN 70 HN GLN 70 6.169 -16.826 13.808 532 HA GLN 70 HA GLN 70 5.322 -16.384 16.487 533 1HB GLN 70 HB2 GLN 70 6.362 -14.394 14.462 534 2HB GLN 70 HB1 GLN 70 6.233 -14.122 16.193 535 1HG GLN 70 HG2 GLN 70 8.064 -16.022 14.756 536 2HG GLN 70 HG1 GLN 70 8.500 -14.611 15.716 537 1HE2 GLN 70 1HE2 GLN 70 8.089 -14.707 18.024 538 2HE2 GLN 70 2HE2 GLN 70 8.147 -16.233 18.831 539 H VAL 71 HN VAL 71 3.856 -15.784 13.411 540 HA VAL 71 HA VAL 71 2.068 -13.714 14.190 541 HB VAL 71 HB VAL 71 1.865 -15.739 11.947 542 1HG1 VAL 71 1HG1 VAL 71 0.129 -13.380 12.628 543 2HG1 VAL 71 3HG1 VAL 71 0.211 -14.058 11.002 544 3HG1 VAL 71 2HG1 VAL 71 -0.355 -15.052 12.344 545 1HG2 VAL 71 2HG2 VAL 71 3.691 -13.824 12.108 546 2HG2 VAL 71 1HG2 VAL 71 2.916 -14.243 10.581 547 3HG2 VAL 71 3HG2 VAL 71 2.359 -12.844 11.499 548 H LEU 72 HN LEU 72 1.653 -17.205 13.712 549 HA LEU 72 HA LEU 72 -0.943 -17.437 14.730 550 1HB LEU 72 HB2 LEU 72 1.320 -19.276 14.217 551 2HB LEU 72 HB1 LEU 72 0.151 -19.828 15.400 552 HG LEU 72 HG LEU 72 -0.382 -20.709 13.201 553 1HD1 LEU 72 3HD1 LEU 72 -2.188 -20.042 14.824 554 2HD1 LEU 72 2HD1 LEU 72 -2.402 -18.582 13.860 555 3HD1 LEU 72 1HD1 LEU 72 -2.682 -20.165 13.136 556 1HD2 LEU 72 3HD2 LEU 72 -0.528 -17.816 12.360 557 2HD2 LEU 72 2HD2 LEU 72 0.615 -19.032 11.790 558 3HD2 LEU 72 1HD2 LEU 72 -1.097 -19.177 11.391 559 H SER 73 HN SER 73 2.226 -17.377 16.255 560 HA SER 73 HA SER 73 1.486 -18.156 18.841 561 1HB SER 73 HB2 SER 73 3.852 -17.742 17.858 562 2HB SER 73 HB1 SER 73 3.595 -16.068 18.350 563 HG SER 73 HG SER 73 4.655 -17.448 19.932 564 H VAL 74 HN VAL 74 1.376 -15.016 17.262 565 HA VAL 74 HA VAL 74 0.580 -13.574 19.597 566 HB VAL 74 HB VAL 74 0.186 -12.812 16.694 567 1HG1 VAL 74 2HG1 VAL 74 -0.028 -11.274 19.264 568 2HG1 VAL 74 1HG1 VAL 74 0.289 -10.472 17.726 569 3HG1 VAL 74 3HG1 VAL 74 -1.196 -11.398 17.949 570 1HG2 VAL 74 1HG2 VAL 74 2.581 -13.087 18.196 571 2HG2 VAL 74 3HG2 VAL 74 2.375 -12.465 16.559 572 3HG2 VAL 74 2HG2 VAL 74 2.295 -11.366 17.936 573 H LEU 75 HN LEU 75 -1.060 -15.689 17.454 574 HA LEU 75 HA LEU 75 -3.662 -14.593 17.552 575 1HB LEU 75 HB2 LEU 75 -2.622 -16.554 16.113 576 2HB LEU 75 HB1 LEU 75 -3.262 -17.541 17.414 577 HG LEU 75 HG LEU 75 -5.508 -16.428 16.974 578 1HD1 LEU 75 3HD1 LEU 75 -4.028 -15.537 14.505 579 2HD1 LEU 75 2HD1 LEU 75 -5.784 -15.538 14.671 580 3HD1 LEU 75 1HD1 LEU 75 -4.800 -14.514 15.717 581 1HD2 LEU 75 2HD2 LEU 75 -4.940 -18.723 16.288 582 2HD2 LEU 75 1HD2 LEU 75 -6.033 -17.933 15.152 583 3HD2 LEU 75 3HD2 LEU 75 -4.322 -18.096 14.760 584 H LYS 76 HN LYS 76 -1.897 -16.790 19.606 585 HA LYS 76 HA LYS 76 -4.076 -17.441 21.330 586 1HB LYS 76 HB2 LYS 76 -1.095 -17.629 21.823 587 2HB LYS 76 HB1 LYS 76 -2.341 -18.368 22.818 588 1HG LYS 76 HG2 LYS 76 -2.203 -20.178 21.555 589 2HG LYS 76 HG1 LYS 76 -2.845 -19.240 20.205 590 1HD LYS 76 HD2 LYS 76 -0.879 -19.996 19.292 591 2HD LYS 76 HD1 LYS 76 -0.344 -18.460 19.976 592 1HE LYS 76 HE2 LYS 76 0.105 -19.981 22.097 593 2HE LYS 76 HE1 LYS 76 0.210 -21.243 20.869 594 1HZ LYS 76 HZ2 LYS 76 1.807 -18.737 20.898 595 2HZ LYS 76 HZ1 LYS 76 2.371 -20.265 21.353 596 3HZ LYS 76 HZ3 LYS 76 1.923 -19.972 19.748 597 H GLY 77 HN GLY 77 -1.513 -15.004 21.381 598 1HA GLY 77 HA1 GLY 77 -1.125 -13.217 22.774 599 2HA GLY 77 HA2 GLY 77 -2.049 -14.054 24.012 600 H GLU 78 HN GLU 78 -2.461 -12.171 21.014 601 HA GLU 78 HA GLU 78 -5.133 -11.361 21.885 602 1HB GLU 78 HB2 GLU 78 -2.969 -9.779 22.493 603 2HB GLU 78 HB1 GLU 78 -3.518 -9.085 20.975 604 1HG GLU 78 HG2 GLU 78 -5.216 -9.507 23.426 605 2HG GLU 78 HG1 GLU 78 -4.510 -7.977 22.913 606 H GLU 79 HN GLU 79 -4.314 -13.024 19.698 607 HA GLU 79 HA GLU 79 -4.948 -13.370 17.543 608 1HB GLU 79 HB2 GLU 79 -6.826 -11.728 18.171 609 2HB GLU 79 HB1 GLU 79 -5.875 -10.515 17.327 610 1HG GLU 79 HG2 GLU 79 -6.748 -13.091 16.052 611 2HG GLU 79 HG1 GLU 79 -7.703 -11.610 15.997 No H/Q in entry = 611 Start of MODEL 60 1 H1 THR 1 HT1 THR 1 17.087 -21.917 31.154 2 H2 THR 1 HT3 THR 1 18.493 -21.968 30.174 3 H3 THR 1 HT2 THR 1 17.174 -23.017 29.840 4 HA THR 1 HA THR 1 17.496 -24.142 31.897 5 HB THR 1 HB THR 1 20.106 -23.903 30.384 6 HG1 THR 1 HG1 THR 1 18.920 -24.392 28.724 7 1HG2 THR 1 1HG2 THR 1 20.206 -25.407 32.297 8 2HG2 THR 1 3HG2 THR 1 18.801 -26.282 31.685 9 3HG2 THR 1 2HG2 THR 1 20.311 -26.290 30.773 10 H GLN 2 HN GLN 2 18.534 -24.376 33.871 11 HA GLN 2 HA GLN 2 19.491 -21.992 35.088 12 1HB GLN 2 HB2 GLN 2 18.239 -23.938 36.192 13 2HB GLN 2 HB1 GLN 2 19.791 -24.761 36.239 14 1HG GLN 2 HG2 GLN 2 19.599 -22.014 37.362 15 2HG GLN 2 HG1 GLN 2 18.920 -23.358 38.278 16 1HE2 GLN 2 1HE2 GLN 2 21.712 -21.628 37.532 17 2HE2 GLN 2 2HE2 GLN 2 22.866 -22.687 38.260 18 H GLN 3 HN GLN 3 21.434 -21.153 34.749 19 HA GLN 3 HA GLN 3 23.738 -22.976 34.494 20 1HB GLN 3 HB2 GLN 3 22.872 -20.712 32.861 21 2HB GLN 3 HB1 GLN 3 24.545 -20.570 33.386 22 1HG GLN 3 HG2 GLN 3 24.557 -21.647 31.282 23 2HG GLN 3 HG1 GLN 3 24.934 -22.871 32.493 24 1HE2 GLN 3 1HE2 GLN 3 23.726 -24.662 32.569 25 2HE2 GLN 3 2HE2 GLN 3 22.277 -24.920 31.667 26 HA PRO 4 HA PRO 4 25.703 -21.209 38.023 27 1HB PRO 4 HB2 PRO 4 28.122 -20.814 36.339 28 2HB PRO 4 HB1 PRO 4 27.941 -21.689 37.863 29 1HG PRO 4 HG2 PRO 4 28.196 -23.005 35.563 30 2HG PRO 4 HG1 PRO 4 27.096 -23.584 36.826 31 1HD PRO 4 HD2 PRO 4 26.474 -22.142 34.282 32 2HD PRO 4 HD1 PRO 4 25.587 -23.458 35.079 33 H GLN 5 HN GLN 5 26.171 -19.503 34.948 34 HA GLN 5 HA GLN 5 26.942 -17.023 36.134 35 1HB GLN 5 HB2 GLN 5 27.076 -18.046 33.614 36 2HB GLN 5 HB1 GLN 5 25.712 -16.949 33.452 37 1HG GLN 5 HG2 GLN 5 27.950 -15.734 34.847 38 2HG GLN 5 HG1 GLN 5 28.380 -16.297 33.233 39 1HE2 GLN 5 1HE2 GLN 5 26.965 -15.584 31.455 40 2HE2 GLN 5 2HE2 GLN 5 26.264 -14.007 31.547 41 H GLN 6 HN GLN 6 25.624 -14.982 35.562 42 HA GLN 6 HA GLN 6 23.162 -15.113 36.961 43 1HB GLN 6 HB2 GLN 6 24.462 -12.918 35.348 44 2HB GLN 6 HB1 GLN 6 22.941 -12.700 36.200 45 1HG GLN 6 HG2 GLN 6 24.321 -11.929 37.806 46 2HG GLN 6 HG1 GLN 6 24.394 -13.640 38.220 47 1HE2 GLN 6 1HE2 GLN 6 26.303 -14.695 38.084 48 2HE2 GLN 6 2HE2 GLN 6 27.781 -13.972 37.555 49 H ASP 7 HN ASP 7 21.172 -13.888 35.928 50 HA ASP 7 HA ASP 7 20.213 -15.563 33.832 51 1HB ASP 7 HB2 ASP 7 18.130 -14.465 34.095 52 2HB ASP 7 HB1 ASP 7 18.835 -14.523 35.706 53 H GLU 8 HN GLU 8 19.542 -14.974 31.731 54 HA GLU 8 HA GLU 8 21.339 -13.232 30.375 55 1HB GLU 8 HB2 GLU 8 18.990 -14.904 29.559 56 2HB GLU 8 HB1 GLU 8 19.636 -13.718 28.433 57 1HG GLU 8 HG2 GLU 8 20.589 -15.896 28.009 58 2HG GLU 8 HG1 GLU 8 21.833 -14.783 28.571 59 H MET 9 HN MET 9 21.174 -11.128 29.971 60 HA MET 9 HA MET 9 19.010 -9.589 30.976 61 1HB MET 9 HB2 MET 9 21.334 -8.846 29.194 62 2HB MET 9 HB1 MET 9 20.185 -7.679 29.835 63 1HG MET 9 HG2 MET 9 21.943 -9.472 31.494 64 2HG MET 9 HG1 MET 9 22.270 -7.781 31.125 65 1HE MET 9 HE3 MET 9 19.951 -10.320 32.875 66 2HE MET 9 HE2 MET 9 21.286 -9.894 33.948 67 3HE MET 9 HE1 MET 9 19.631 -9.462 34.382 68 HA PRO 10 HA PRO 10 16.119 -9.547 27.639 69 1HB PRO 10 HB2 PRO 10 15.738 -6.662 28.186 70 2HB PRO 10 HB1 PRO 10 14.565 -7.981 28.235 71 1HG PRO 10 HG2 PRO 10 15.468 -6.858 30.482 72 2HG PRO 10 HG1 PRO 10 15.151 -8.601 30.387 73 1HD PRO 10 HD2 PRO 10 17.761 -7.139 30.273 74 2HD PRO 10 HD1 PRO 10 17.356 -8.659 31.096 75 H SER 11 HN SER 11 15.634 -8.513 25.569 76 HA SER 11 HA SER 11 18.016 -7.794 24.168 77 1HB SER 11 HB2 SER 11 16.570 -7.658 22.187 78 2HB SER 11 HB1 SER 11 16.243 -9.128 23.103 79 HG SER 11 HG SER 11 14.620 -6.966 22.601 80 HA PRO 12 HA PRO 12 17.764 -3.391 24.669 81 1HB PRO 12 HB2 PRO 12 19.505 -2.636 22.755 82 2HB PRO 12 HB1 PRO 12 20.031 -3.434 24.241 83 1HG PRO 12 HG2 PRO 12 19.611 -4.598 21.515 84 2HG PRO 12 HG1 PRO 12 20.939 -4.877 22.657 85 1HD PRO 12 HD2 PRO 12 18.845 -6.594 22.350 86 2HD PRO 12 HD1 PRO 12 19.734 -6.406 23.875 87 H THR 13 HN THR 13 17.480 -1.378 23.261 88 HA THR 13 HA THR 13 15.138 -1.717 21.668 89 HB THR 13 HB THR 13 15.277 0.278 22.964 90 HG1 THR 13 HG1 THR 13 14.275 0.724 21.058 91 1HG2 THR 13 3HG2 THR 13 18.005 0.471 21.919 92 2HG2 THR 13 2HG2 THR 13 17.115 1.993 21.959 93 3HG2 THR 13 1HG2 THR 13 17.319 1.051 23.436 94 H PHE 14 HN PHE 14 15.120 -2.402 19.651 95 HA PHE 14 HA PHE 14 17.480 -2.109 17.970 96 1HB PHE 14 HB2 PHE 14 14.884 -3.560 17.408 97 2HB PHE 14 HB1 PHE 14 16.359 -3.657 16.451 98 HD1 PHE 14 HD1 PHE 14 14.472 -5.243 18.911 99 HD2 PHE 14 HD2 PHE 14 18.501 -4.364 17.860 100 HE1 PHE 14 HE1 PHE 14 15.240 -7.121 20.301 101 HE2 PHE 14 HE2 PHE 14 19.276 -6.244 19.246 102 HZ PHE 14 HZ PHE 14 17.644 -7.624 20.468 103 H LEU 15 HN LEU 15 14.362 -0.662 18.370 104 HA LEU 15 HA LEU 15 13.918 0.307 15.766 105 1HB LEU 15 HB2 LEU 15 13.089 1.424 18.445 106 2HB LEU 15 HB1 LEU 15 12.512 2.040 16.909 107 HG LEU 15 HG LEU 15 11.991 -0.702 16.800 108 1HD1 LEU 15 3HD1 LEU 15 11.260 0.412 19.505 109 2HD1 LEU 15 2HD1 LEU 15 10.683 -1.113 18.832 110 3HD1 LEU 15 1HD1 LEU 15 12.398 -0.896 19.186 111 1HD2 LEU 15 2HD2 LEU 15 10.611 1.092 15.879 112 2HD2 LEU 15 1HD2 LEU 15 9.656 0.006 16.890 113 3HD2 LEU 15 3HD2 LEU 15 10.151 1.582 17.510 114 H THR 16 HN THR 16 15.679 1.683 18.522 115 HA THR 16 HA THR 16 16.248 4.201 17.455 116 HB THR 16 HB THR 16 18.272 4.113 18.996 117 HG1 THR 16 HG1 THR 16 18.812 2.081 19.316 118 1HG2 THR 16 3HG2 THR 16 16.137 4.986 19.793 119 2HG2 THR 16 2HG2 THR 16 15.641 3.353 20.239 120 3HG2 THR 16 1HG2 THR 16 17.004 4.115 21.057 121 H GLN 17 HN GLN 17 17.949 1.118 17.080 122 HA GLN 17 HA GLN 17 20.221 2.080 15.736 123 1HB GLN 17 HB2 GLN 17 19.636 -0.290 16.721 124 2HB GLN 17 HB1 GLN 17 19.078 -0.608 15.085 125 1HG GLN 17 HG2 GLN 17 21.836 0.398 15.732 126 2HG GLN 17 HG1 GLN 17 21.427 -1.309 15.582 127 1HE2 GLN 17 1HE2 GLN 17 20.081 -1.716 13.465 128 2HE2 GLN 17 2HE2 GLN 17 20.787 -1.044 12.037 129 H VAL 18 HN VAL 18 17.137 0.842 14.486 130 HA VAL 18 HA VAL 18 17.308 0.611 11.869 131 HB VAL 18 HB VAL 18 15.218 2.339 13.195 132 1HG1 VAL 18 2HG1 VAL 18 15.345 1.097 10.461 133 2HG1 VAL 18 1HG1 VAL 18 13.817 1.530 11.228 134 3HG1 VAL 18 3HG1 VAL 18 15.019 2.776 10.894 135 1HG2 VAL 18 3HG2 VAL 18 15.442 -0.619 12.712 136 2HG2 VAL 18 2HG2 VAL 18 15.169 0.227 14.234 137 3HG2 VAL 18 1HG2 VAL 18 13.895 0.171 13.017 138 H LYS 19 HN LYS 19 17.345 3.841 13.387 139 HA LYS 19 HA LYS 19 17.283 5.426 11.138 140 1HB LYS 19 HB2 LYS 19 18.692 5.799 13.770 141 2HB LYS 19 HB1 LYS 19 18.720 7.039 12.524 142 1HG LYS 19 HG2 LYS 19 16.139 5.905 13.541 143 2HG LYS 19 HG1 LYS 19 16.965 7.225 14.371 144 1HD LYS 19 HD2 LYS 19 16.739 8.668 12.523 145 2HD LYS 19 HD1 LYS 19 16.319 7.341 11.438 146 1HE LYS 19 HE2 LYS 19 14.231 7.010 12.745 147 2HE LYS 19 HE1 LYS 19 14.642 8.440 13.691 148 1HZ LYS 19 HZ3 LYS 19 14.189 8.390 10.754 149 2HZ LYS 19 HZ2 LYS 19 13.092 8.960 11.909 150 3HZ LYS 19 HZ1 LYS 19 14.563 9.762 11.674 151 H GLU 20 HN GLU 20 20.217 4.144 12.710 152 HA GLU 20 HA GLU 20 22.018 5.169 10.797 153 1HB GLU 20 HB2 GLU 20 22.394 2.727 12.534 154 2HB GLU 20 HB1 GLU 20 23.664 3.665 11.764 155 1HG GLU 20 HG2 GLU 20 23.822 4.659 13.758 156 2HG GLU 20 HG1 GLU 20 22.423 5.584 13.215 157 H SER 21 HN SER 21 20.079 2.282 10.908 158 HA SER 21 HA SER 21 21.406 0.781 8.923 159 1HB SER 21 HB2 SER 21 19.766 -0.745 9.255 160 2HB SER 21 HB1 SER 21 19.296 0.297 10.594 161 HG SER 21 HG SER 21 17.625 1.033 9.461 162 H LEU 22 HN LEU 22 18.806 3.179 8.734 163 HA LEU 22 HA LEU 22 18.389 2.912 5.930 164 1HB LEU 22 HB2 LEU 22 16.784 3.880 7.657 165 2HB LEU 22 HB1 LEU 22 17.750 5.341 7.591 166 HG LEU 22 HG LEU 22 17.279 5.363 5.081 167 1HD1 LEU 22 1HD1 LEU 22 15.196 3.363 5.949 168 2HD1 LEU 22 3HD1 LEU 22 15.226 4.191 4.392 169 3HD1 LEU 22 2HD1 LEU 22 16.525 3.081 4.825 170 1HD2 LEU 22 2HD2 LEU 22 16.233 6.908 6.650 171 2HD2 LEU 22 1HD2 LEU 22 15.094 6.418 5.396 172 3HD2 LEU 22 3HD2 LEU 22 14.986 5.714 7.010 173 H SER 23 HN SER 23 20.409 5.006 7.939 174 HA SER 23 HA SER 23 21.203 6.834 5.976 175 1HB SER 23 HB2 SER 23 22.829 5.836 8.328 176 2HB SER 23 HB1 SER 23 23.119 7.322 7.427 177 HG SER 23 HG SER 23 21.201 6.747 9.340 178 H SER 24 HN SER 24 22.892 3.897 7.088 179 HA SER 24 HA SER 24 24.912 3.979 5.115 180 1HB SER 24 HB2 SER 24 23.840 1.628 6.696 181 2HB SER 24 HB1 SER 24 25.326 1.613 5.747 182 HG SER 24 HG SER 24 24.777 2.834 8.186 183 H TYR 25 HN TYR 25 21.602 3.089 4.941 184 HA TYR 25 HA TYR 25 21.867 1.292 2.706 185 1HB TYR 25 HB2 TYR 25 19.988 0.998 4.208 186 2HB TYR 25 HB1 TYR 25 19.452 2.650 3.925 187 HD1 TYR 25 HD1 TYR 25 18.071 3.186 2.076 188 HD2 TYR 25 HD2 TYR 25 19.842 -0.673 2.341 189 HE1 TYR 25 HE1 TYR 25 16.652 2.414 0.222 190 HE2 TYR 25 HE2 TYR 25 18.428 -1.455 0.487 191 HH TYR 25 HH TYR 25 17.112 0.149 -1.629 192 H TRP 26 HN TRP 26 21.010 4.696 3.191 193 HA TRP 26 HA TRP 26 20.271 5.268 0.533 194 1HB TRP 26 HB2 TRP 26 19.972 6.675 2.709 195 2HB TRP 26 HB1 TRP 26 21.561 7.319 2.308 196 HD1 TRP 26 HD1 TRP 26 17.923 7.607 1.393 197 HE1 TRP 26 HE1 TRP 26 17.630 9.399 -0.429 198 HE3 TRP 26 HE3 TRP 26 22.836 8.345 0.179 199 HZ2 TRP 26 HZ2 TRP 26 19.264 10.924 -2.154 200 HZ3 TRP 26 HZ3 TRP 26 23.384 9.988 -1.568 201 HH2 TRP 26 HH2 TRP 26 21.634 11.250 -2.709 202 H GLU 27 HN GLU 27 23.377 5.346 2.191 203 HA GLU 27 HA GLU 27 25.047 6.669 0.525 204 1HB GLU 27 HB2 GLU 27 25.349 4.339 2.304 205 2HB GLU 27 HB1 GLU 27 26.592 4.485 1.071 206 1HG GLU 27 HG2 GLU 27 27.433 5.609 2.941 207 2HG GLU 27 HG1 GLU 27 26.890 6.876 1.843 208 H SER 28 HN SER 28 24.260 3.214 0.174 209 HA SER 28 HA SER 28 25.303 3.218 -2.546 210 1HB SER 28 HB2 SER 28 24.278 1.021 -0.743 211 2HB SER 28 HB1 SER 28 24.737 0.748 -2.424 212 HG SER 28 HG SER 28 26.392 0.414 -0.706 213 H ALA 29 HN ALA 29 22.319 3.764 -1.017 214 HA ALA 29 HA ALA 29 20.505 2.526 -2.771 215 1HB ALA 29 HB3 ALA 29 19.837 3.496 -0.625 216 2HB ALA 29 HB2 ALA 29 20.134 5.111 -1.265 217 3HB ALA 29 HB1 ALA 29 18.854 4.113 -1.952 218 H LYS 30 HN LYS 30 22.228 5.600 -3.021 219 HA LYS 30 HA LYS 30 20.819 6.794 -5.083 220 1HB LYS 30 HB2 LYS 30 23.049 7.862 -5.707 221 2HB LYS 30 HB1 LYS 30 22.488 8.106 -4.060 222 1HG LYS 30 HG2 LYS 30 24.485 7.422 -3.386 223 2HG LYS 30 HG1 LYS 30 24.033 5.803 -3.920 224 1HD LYS 30 HD2 LYS 30 25.045 6.147 -6.056 225 2HD LYS 30 HD1 LYS 30 25.290 7.863 -5.726 226 1HE LYS 30 HE2 LYS 30 27.394 6.861 -5.403 227 2HE LYS 30 HE1 LYS 30 26.752 7.130 -3.784 228 1HZ LYS 30 HZ3 LYS 30 26.629 4.548 -5.249 229 2HZ LYS 30 HZ2 LYS 30 27.759 4.927 -4.049 230 3HZ LYS 30 HZ1 LYS 30 26.118 4.824 -3.658 231 H THR 31 HN THR 31 23.501 4.473 -5.370 232 HA THR 31 HA THR 31 23.807 4.378 -8.106 233 HB THR 31 HB THR 31 23.785 1.862 -6.446 234 HG1 THR 31 HG1 THR 31 25.127 2.827 -5.162 235 1HG2 THR 31 2HG2 THR 31 25.598 2.799 -8.655 236 2HG2 THR 31 1HG2 THR 31 25.752 1.285 -7.764 237 3HG2 THR 31 3HG2 THR 31 24.341 1.568 -8.783 238 H ALA 32 HN ALA 32 21.356 2.885 -6.073 239 HA ALA 32 HA ALA 32 20.104 1.315 -8.055 240 1HB ALA 32 HB2 ALA 32 18.538 2.537 -5.821 241 2HB ALA 32 HB1 ALA 32 18.432 0.918 -6.512 242 3HB ALA 32 HB3 ALA 32 19.788 1.344 -5.468 243 H ALA 33 HN ALA 33 19.575 4.668 -6.990 244 HA ALA 33 HA ALA 33 17.292 5.303 -8.392 245 1HB ALA 33 HB3 ALA 33 18.610 6.779 -6.802 246 2HB ALA 33 HB2 ALA 33 19.612 7.200 -8.190 247 3HB ALA 33 HB1 ALA 33 17.890 7.575 -8.200 248 H GLN 34 HN GLN 34 20.622 5.703 -9.606 249 HA GLN 34 HA GLN 34 19.819 6.384 -12.229 250 1HB GLN 34 HB2 GLN 34 22.118 6.730 -11.130 251 2HB GLN 34 HB1 GLN 34 22.434 5.049 -11.541 252 1HG GLN 34 HG2 GLN 34 21.724 5.813 -13.938 253 2HG GLN 34 HG1 GLN 34 22.134 7.414 -13.325 254 1HE2 GLN 34 1HE2 GLN 34 24.308 7.652 -12.376 255 2HE2 GLN 34 2HE2 GLN 34 25.608 6.753 -13.076 256 H ASN 35 HN ASN 35 20.533 3.341 -10.619 257 HA ASN 35 HA ASN 35 20.544 1.686 -12.902 258 1HB ASN 35 HB2 ASN 35 21.274 1.091 -10.515 259 2HB ASN 35 HB1 ASN 35 19.569 0.797 -10.192 260 1HD2 ASN 35 1HD2 ASN 35 22.168 -0.084 -12.435 261 2HD2 ASN 35 2HD2 ASN 35 21.640 -1.710 -12.677 262 H LEU 36 HN LEU 36 17.964 3.105 -11.087 263 HA LEU 36 HA LEU 36 15.811 1.486 -11.824 264 1HB LEU 36 HB2 LEU 36 16.093 3.788 -10.356 265 2HB LEU 36 HB1 LEU 36 15.254 4.377 -11.779 266 HG LEU 36 HG LEU 36 13.645 3.848 -10.066 267 1HD1 LEU 36 2HD1 LEU 36 13.092 3.348 -12.439 268 2HD1 LEU 36 1HD1 LEU 36 13.550 1.672 -12.145 269 3HD1 LEU 36 3HD1 LEU 36 12.192 2.382 -11.272 270 1HD2 LEU 36 3HD2 LEU 36 15.099 2.204 -8.874 271 2HD2 LEU 36 2HD2 LEU 36 13.422 1.695 -9.062 272 3HD2 LEU 36 1HD2 LEU 36 14.671 1.016 -10.104 273 H TYR 37 HN TYR 37 17.313 4.281 -13.340 274 HA TYR 37 HA TYR 37 15.676 4.364 -15.656 275 1HB TYR 37 HB2 TYR 37 18.464 5.379 -15.079 276 2HB TYR 37 HB1 TYR 37 17.696 5.592 -16.649 277 HD1 TYR 37 HD1 TYR 37 17.685 6.606 -13.130 278 HD2 TYR 37 HD2 TYR 37 15.831 7.127 -16.924 279 HE1 TYR 37 HE1 TYR 37 16.583 8.642 -12.304 280 HE2 TYR 37 HE2 TYR 37 14.723 9.166 -16.108 281 HH TYR 37 HH TYR 37 15.505 10.934 -13.910 282 H GLU 38 HN GLU 38 18.665 2.713 -14.794 283 HA GLU 38 HA GLU 38 19.370 1.674 -17.290 284 1HB GLU 38 HB2 GLU 38 20.006 1.019 -14.481 285 2HB GLU 38 HB1 GLU 38 20.258 -0.278 -15.638 286 1HG GLU 38 HG2 GLU 38 22.312 0.747 -15.603 287 2HG GLU 38 HG1 GLU 38 21.544 1.513 -16.993 288 H LYS 39 HN LYS 39 17.491 0.101 -14.718 289 HA LYS 39 HA LYS 39 16.921 -2.255 -16.118 290 1HB LYS 39 HB2 LYS 39 16.490 -1.391 -13.580 291 2HB LYS 39 HB1 LYS 39 14.856 -1.328 -14.226 292 1HG LYS 39 HG2 LYS 39 15.261 -3.717 -15.023 293 2HG LYS 39 HG1 LYS 39 16.671 -3.700 -13.962 294 1HD LYS 39 HD2 LYS 39 15.167 -3.073 -12.079 295 2HD LYS 39 HD1 LYS 39 13.792 -3.277 -13.167 296 1HE LYS 39 HE2 LYS 39 15.782 -5.483 -12.786 297 2HE LYS 39 HE1 LYS 39 14.483 -5.236 -11.620 298 1HZ LYS 39 HZ3 LYS 39 12.879 -5.470 -13.418 299 2HZ LYS 39 HZ2 LYS 39 14.129 -5.716 -14.531 300 3HZ LYS 39 HZ1 LYS 39 13.858 -6.846 -13.303 301 H THR 40 HN THR 40 15.741 0.885 -16.706 302 HA THR 40 HA THR 40 13.138 0.136 -17.654 303 HB THR 40 HB THR 40 14.739 2.628 -18.269 304 HG1 THR 40 HG1 THR 40 14.439 2.692 -16.127 305 1HG2 THR 40 2HG2 THR 40 11.794 2.069 -18.504 306 2HG2 THR 40 1HG2 THR 40 12.519 3.675 -18.585 307 3HG2 THR 40 3HG2 THR 40 12.916 2.465 -19.805 308 H TYR 41 HN TYR 41 16.254 0.811 -19.142 309 HA TYR 41 HA TYR 41 15.444 0.464 -21.829 310 1HB TYR 41 HB2 TYR 41 18.248 -0.121 -20.929 311 2HB TYR 41 HB1 TYR 41 17.697 0.652 -22.410 312 HD1 TYR 41 HD1 TYR 41 16.115 2.874 -21.658 313 HD2 TYR 41 HD2 TYR 41 19.527 1.303 -19.657 314 HE1 TYR 41 HE1 TYR 41 16.537 5.079 -20.655 315 HE2 TYR 41 HE2 TYR 41 19.957 3.502 -18.649 316 HH TYR 41 HH TYR 41 19.098 6.161 -19.595 317 H LEU 42 HN LEU 42 16.836 -1.781 -19.452 318 HA LEU 42 HA LEU 42 16.823 -3.969 -21.359 319 1HB LEU 42 HB2 LEU 42 17.547 -3.912 -18.431 320 2HB LEU 42 HB1 LEU 42 17.761 -5.286 -19.498 321 HG LEU 42 HG LEU 42 19.050 -2.920 -20.570 322 1HD1 LEU 42 2HD1 LEU 42 19.229 -2.331 -18.185 323 2HD1 LEU 42 1HD1 LEU 42 20.016 -3.879 -17.880 324 3HD1 LEU 42 3HD1 LEU 42 20.794 -2.682 -18.917 325 1HD2 LEU 42 3HD2 LEU 42 19.482 -5.208 -21.308 326 2HD2 LEU 42 2HD2 LEU 42 20.952 -4.444 -20.704 327 3HD2 LEU 42 1HD2 LEU 42 20.093 -5.615 -19.704 328 HA PRO 43 HA PRO 43 12.945 -5.644 -19.947 329 1HB PRO 43 HB2 PRO 43 12.924 -7.871 -21.392 330 2HB PRO 43 HB1 PRO 43 12.936 -6.291 -22.183 331 1HG PRO 43 HG2 PRO 43 15.153 -8.250 -21.827 332 2HG PRO 43 HG1 PRO 43 14.822 -7.162 -23.185 333 1HD PRO 43 HD2 PRO 43 16.644 -6.723 -21.067 334 2HD PRO 43 HD1 PRO 43 16.127 -5.542 -22.285 335 H ALA 44 HN ALA 44 15.211 -6.129 -18.115 336 HA ALA 44 HA ALA 44 15.404 -8.854 -17.394 337 1HB ALA 44 HB1 ALA 44 15.886 -6.399 -15.712 338 2HB ALA 44 HB3 ALA 44 16.412 -8.037 -15.321 339 3HB ALA 44 HB2 ALA 44 17.072 -7.211 -16.733 340 H VAL 45 HN VAL 45 12.885 -6.606 -16.905 341 HA VAL 45 HA VAL 45 11.764 -7.084 -14.494 342 HB VAL 45 HB VAL 45 10.256 -6.893 -17.105 343 1HG1 VAL 45 2HG1 VAL 45 9.357 -6.619 -14.247 344 2HG1 VAL 45 1HG1 VAL 45 8.451 -5.943 -15.601 345 3HG1 VAL 45 3HG1 VAL 45 8.716 -7.683 -15.498 346 1HG2 VAL 45 1HG2 VAL 45 11.413 -4.857 -15.238 347 2HG2 VAL 45 3HG2 VAL 45 11.511 -4.945 -16.997 348 3HG2 VAL 45 2HG2 VAL 45 10.001 -4.471 -16.221 349 H ASP 46 HN ASP 46 10.996 -9.041 -17.388 350 HA ASP 46 HA ASP 46 9.456 -10.946 -15.985 351 1HB ASP 46 HB2 ASP 46 10.836 -11.091 -18.668 352 2HB ASP 46 HB1 ASP 46 9.754 -12.339 -18.058 353 H GLU 47 HN GLU 47 12.902 -10.768 -16.708 354 HA GLU 47 HA GLU 47 13.503 -13.473 -16.052 355 1HB GLU 47 HB2 GLU 47 15.026 -12.049 -17.366 356 2HB GLU 47 HB1 GLU 47 15.296 -11.036 -15.956 357 1HG GLU 47 HG2 GLU 47 17.132 -12.614 -16.370 358 2HG GLU 47 HG1 GLU 47 16.374 -12.845 -14.796 359 H LYS 48 HN LYS 48 13.588 -10.458 -14.176 360 HA LYS 48 HA LYS 48 14.589 -11.560 -11.785 361 1HB LYS 48 HB2 LYS 48 14.354 -9.087 -12.493 362 2HB LYS 48 HB1 LYS 48 12.716 -9.210 -11.865 363 1HG LYS 48 HG2 LYS 48 13.637 -9.885 -9.679 364 2HG LYS 48 HG1 LYS 48 15.264 -9.663 -10.323 365 1HD LYS 48 HD2 LYS 48 14.859 -7.651 -9.238 366 2HD LYS 48 HD1 LYS 48 14.453 -7.280 -10.914 367 1HE LYS 48 HE2 LYS 48 12.098 -8.271 -9.767 368 2HE LYS 48 HE1 LYS 48 12.791 -7.187 -8.563 369 1HZ LYS 48 HZ1 LYS 48 12.263 -6.486 -11.402 370 2HZ LYS 48 HZ3 LYS 48 11.306 -6.025 -10.084 371 3HZ LYS 48 HZ2 LYS 48 12.888 -5.444 -10.224 372 H LEU 49 HN LEU 49 11.379 -11.510 -13.159 373 HA LEU 49 HA LEU 49 9.888 -12.004 -10.816 374 1HB LEU 49 HB2 LEU 49 9.421 -12.421 -13.740 375 2HB LEU 49 HB1 LEU 49 8.324 -13.169 -12.595 376 HG LEU 49 HG LEU 49 8.888 -10.250 -12.324 377 1HD1 LEU 49 3HD1 LEU 49 7.330 -11.542 -14.520 378 2HD1 LEU 49 2HD1 LEU 49 6.803 -9.996 -13.856 379 3HD1 LEU 49 1HD1 LEU 49 8.407 -10.146 -14.575 380 1HD2 LEU 49 3HD2 LEU 49 7.543 -11.408 -10.645 381 2HD2 LEU 49 2HD2 LEU 49 6.577 -10.231 -11.536 382 3HD2 LEU 49 1HD2 LEU 49 6.432 -11.951 -11.902 383 H ARG 50 HN ARG 50 10.864 -14.280 -13.385 384 HA ARG 50 HA ARG 50 10.279 -16.611 -11.901 385 1HB ARG 50 HB2 ARG 50 12.243 -16.276 -14.181 386 2HB ARG 50 HB1 ARG 50 11.590 -17.801 -13.601 387 1HG ARG 50 HG2 ARG 50 10.102 -15.581 -14.983 388 2HG ARG 50 HG1 ARG 50 10.431 -17.204 -15.593 389 1HD ARG 50 HD2 ARG 50 8.344 -17.628 -14.858 390 2HD ARG 50 HD1 ARG 50 9.142 -17.797 -13.295 391 HE ARG 50 HE ARG 50 8.285 -15.112 -13.908 392 1HH1 ARG 50 1HH1 ARG 50 7.365 -18.172 -12.474 393 2HH1 ARG 50 2HH1 ARG 50 6.127 -17.475 -11.486 394 1HH2 ARG 50 1HH2 ARG 50 6.651 -14.202 -12.603 395 2HH2 ARG 50 2HH2 ARG 50 5.722 -15.223 -11.557 396 H ASP 51 HN ASP 51 13.081 -14.524 -12.116 397 HA ASP 51 HA ASP 51 15.047 -16.159 -11.012 398 1HB ASP 51 HB2 ASP 51 15.865 -14.159 -11.868 399 2HB ASP 51 HB1 ASP 51 14.610 -13.198 -11.098 400 H LEU 52 HN LEU 52 12.967 -13.813 -9.312 401 HA LEU 52 HA LEU 52 13.792 -14.627 -6.718 402 1HB LEU 52 HB2 LEU 52 11.316 -13.124 -7.572 403 2HB LEU 52 HB1 LEU 52 11.897 -13.266 -5.923 404 HG LEU 52 HG LEU 52 13.618 -12.046 -8.062 405 1HD1 LEU 52 1HD1 LEU 52 11.507 -10.834 -8.110 406 2HD1 LEU 52 3HD1 LEU 52 11.582 -10.614 -6.362 407 3HD1 LEU 52 2HD1 LEU 52 12.785 -9.849 -7.401 408 1HD2 LEU 52 3HD2 LEU 52 13.498 -11.760 -5.061 409 2HD2 LEU 52 2HD2 LEU 52 14.714 -12.642 -5.986 410 3HD2 LEU 52 1HD2 LEU 52 14.602 -10.888 -6.126 411 H TYR 53 HN TYR 53 11.407 -15.817 -8.942 412 HA TYR 53 HA TYR 53 9.719 -17.130 -7.078 413 1HB TYR 53 HB2 TYR 53 9.985 -16.963 -9.965 414 2HB TYR 53 HB1 TYR 53 9.610 -18.603 -9.453 415 HD1 TYR 53 HD1 TYR 53 8.471 -15.079 -9.082 416 HD2 TYR 53 HD2 TYR 53 7.411 -19.196 -8.929 417 HE1 TYR 53 HE1 TYR 53 6.106 -14.454 -8.842 418 HE2 TYR 53 HE2 TYR 53 5.043 -18.582 -8.689 419 HH TYR 53 HH TYR 53 3.883 -16.075 -7.685 420 H SER 54 HN SER 54 12.502 -18.227 -9.000 421 HA SER 54 HA SER 54 12.473 -20.915 -8.190 422 1HB SER 54 HB2 SER 54 14.828 -19.202 -9.028 423 2HB SER 54 HB1 SER 54 14.836 -20.962 -8.929 424 HG SER 54 HG SER 54 13.584 -21.087 -10.675 425 H LYS 55 HN LYS 55 14.299 -18.139 -6.898 426 HA LYS 55 HA LYS 55 15.604 -19.528 -4.829 427 1HB LYS 55 HB2 LYS 55 14.837 -16.615 -5.066 428 2HB LYS 55 HB1 LYS 55 15.862 -17.254 -3.790 429 1HG LYS 55 HG2 LYS 55 17.505 -17.960 -5.435 430 2HG LYS 55 HG1 LYS 55 16.468 -17.378 -6.739 431 1HD LYS 55 HD2 LYS 55 17.359 -15.546 -4.537 432 2HD LYS 55 HD1 LYS 55 18.401 -15.873 -5.923 433 1HE LYS 55 HE2 LYS 55 16.512 -15.171 -7.404 434 2HE LYS 55 HE1 LYS 55 15.635 -14.676 -5.956 435 1HZ LYS 55 HZ2 LYS 55 17.432 -13.126 -5.456 436 2HZ LYS 55 HZ1 LYS 55 18.249 -13.592 -6.862 437 3HZ LYS 55 HZ3 LYS 55 16.755 -12.804 -6.971 438 H SER 56 HN SER 56 12.524 -17.767 -4.892 439 HA SER 56 HA SER 56 11.916 -17.983 -2.160 440 1HB SER 56 HB2 SER 56 10.263 -17.525 -4.621 441 2HB SER 56 HB1 SER 56 9.484 -17.728 -3.052 442 HG SER 56 HG SER 56 10.348 -15.881 -2.360 443 H THR 57 HN THR 57 11.868 -20.456 -4.575 444 HA THR 57 HA THR 57 9.769 -22.058 -3.686 445 HB THR 57 HB THR 57 12.409 -22.986 -4.836 446 HG1 THR 57 HG1 THR 57 11.736 -22.188 -6.639 447 1HG2 THR 57 3HG2 THR 57 9.710 -24.306 -4.762 448 2HG2 THR 57 2HG2 THR 57 11.045 -24.825 -5.792 449 3HG2 THR 57 1HG2 THR 57 11.210 -24.884 -4.037 450 H ALA 58 HN ALA 58 13.234 -22.386 -2.855 451 HA ALA 58 HA ALA 58 12.548 -24.090 -0.601 452 1HB ALA 58 HB2 ALA 58 14.450 -24.698 -1.998 453 2HB ALA 58 HB1 ALA 58 15.242 -23.173 -1.600 454 3HB ALA 58 HB3 ALA 58 14.961 -24.376 -0.340 455 H ALA 59 HN ALA 59 14.004 -20.904 -1.170 456 HA ALA 59 HA ALA 59 14.655 -20.303 1.494 457 1HB ALA 59 HB2 ALA 59 14.899 -18.023 0.775 458 2HB ALA 59 HB3 ALA 59 13.944 -18.336 -0.674 459 3HB ALA 59 HB1 ALA 59 15.524 -19.094 -0.479 460 H MET 60 HN MET 60 11.890 -19.006 -0.381 461 HA MET 60 HA MET 60 10.620 -17.826 1.823 462 1HB MET 60 HB2 MET 60 10.165 -17.973 -0.934 463 2HB MET 60 HB1 MET 60 8.713 -18.630 -0.194 464 1HG MET 60 HG2 MET 60 9.874 -16.044 0.753 465 2HG MET 60 HG1 MET 60 8.853 -16.106 -0.681 466 1HE MET 60 HE3 MET 60 9.157 -16.975 3.068 467 2HE MET 60 HE2 MET 60 8.730 -15.268 2.961 468 3HE MET 60 HE1 MET 60 7.600 -16.416 3.677 469 H SER 61 HN SER 61 10.588 -21.136 0.715 470 HA SER 61 HA SER 61 8.173 -21.942 1.967 471 1HB SER 61 HB2 SER 61 9.214 -23.304 0.229 472 2HB SER 61 HB1 SER 61 10.625 -23.572 1.253 473 HG SER 61 HG SER 61 9.567 -25.064 2.294 474 H THR 62 HN THR 62 11.267 -21.169 3.240 475 HA THR 62 HA THR 62 10.831 -22.656 5.714 476 HB THR 62 HB THR 62 13.145 -20.830 5.040 477 HG1 THR 62 HG1 THR 62 13.469 -22.314 3.557 478 1HG2 THR 62 1HG2 THR 62 12.899 -23.105 6.994 479 2HG2 THR 62 3HG2 THR 62 14.386 -22.233 6.620 480 3HG2 THR 62 2HG2 THR 62 13.038 -21.390 7.384 481 H TYR 63 HN TYR 63 11.383 -19.311 4.636 482 HA TYR 63 HA TYR 63 10.865 -18.094 7.116 483 1HB TYR 63 HB2 TYR 63 10.808 -17.035 4.289 484 2HB TYR 63 HB1 TYR 63 10.534 -16.016 5.697 485 HD1 TYR 63 HD1 TYR 63 12.392 -15.938 7.472 486 HD2 TYR 63 HD2 TYR 63 12.982 -17.446 3.538 487 HE1 TYR 63 HE1 TYR 63 14.817 -15.621 7.719 488 HE2 TYR 63 HE2 TYR 63 15.409 -17.136 3.776 489 HH TYR 63 HH TYR 63 17.007 -16.970 6.288 490 H THR 64 HN THR 64 8.770 -19.504 4.773 491 HA THR 64 HA THR 64 6.489 -17.887 5.305 492 HB THR 64 HB THR 64 6.920 -20.535 3.975 493 HG1 THR 64 HG1 THR 64 5.736 -18.082 3.184 494 1HG2 THR 64 3HG2 THR 64 4.252 -19.469 4.831 495 2HG2 THR 64 2HG2 THR 64 4.445 -20.522 3.430 496 3HG2 THR 64 1HG2 THR 64 4.908 -21.093 5.032 497 H GLY 65 HN GLY 65 7.241 -21.220 6.311 498 1HA GLY 65 HA1 GLY 65 6.624 -22.387 8.195 499 2HA GLY 65 HA2 GLY 65 5.199 -21.353 8.260 500 H ILE 66 HN ILE 66 8.568 -20.325 8.369 501 HA ILE 66 HA ILE 66 8.795 -20.039 11.172 502 HB ILE 66 HB ILE 66 10.304 -18.757 8.897 503 1HG1 ILE 66 2HG1 ILE 66 10.616 -21.189 9.295 504 2HG1 ILE 66 1HG1 ILE 66 12.090 -20.264 9.556 505 1HG2 ILE 66 3HG2 ILE 66 10.609 -18.333 11.850 506 2HG2 ILE 66 2HG2 ILE 66 11.977 -18.160 10.751 507 3HG2 ILE 66 1HG2 ILE 66 10.555 -17.137 10.555 508 1HD1 ILE 66 2HD1 ILE 66 11.703 -20.360 11.972 509 2HD1 ILE 66 1HD1 ILE 66 10.247 -21.316 11.691 510 3HD1 ILE 66 3HD1 ILE 66 11.828 -21.965 11.253 511 H PHE 67 HN PHE 67 8.358 -17.527 8.667 512 HA PHE 67 HA PHE 67 7.940 -15.347 10.316 513 1HB PHE 67 HB2 PHE 67 8.181 -15.113 7.901 514 2HB PHE 67 HB1 PHE 67 6.635 -15.916 7.644 515 HD1 PHE 67 HD1 PHE 67 4.609 -14.721 7.742 516 HD2 PHE 67 HD2 PHE 67 8.229 -12.872 9.004 517 HE1 PHE 67 HE1 PHE 67 3.462 -12.546 7.834 518 HE2 PHE 67 HE2 PHE 67 7.088 -10.695 9.098 519 HZ PHE 67 HZ PHE 67 4.702 -10.530 8.513 520 H THR 68 HN THR 68 5.400 -17.396 8.884 521 HA THR 68 HA THR 68 3.273 -16.215 10.295 522 HB THR 68 HB THR 68 3.327 -19.025 9.202 523 HG1 THR 68 HG1 THR 68 2.889 -16.570 7.853 524 1HG2 THR 68 1HG2 THR 68 1.120 -17.073 9.745 525 2HG2 THR 68 3HG2 THR 68 0.937 -18.407 8.606 526 3HG2 THR 68 2HG2 THR 68 1.289 -18.737 10.302 527 H ASP 69 HN ASP 69 5.632 -18.500 11.288 528 HA ASP 69 HA ASP 69 4.230 -19.949 13.230 529 1HB ASP 69 HB2 ASP 69 6.879 -19.802 12.411 530 2HB ASP 69 HB1 ASP 69 6.938 -19.265 14.086 531 H GLN 70 HN GLN 70 6.265 -17.057 13.761 532 HA GLN 70 HA GLN 70 5.325 -16.649 16.415 533 1HB GLN 70 HB2 GLN 70 7.520 -15.828 15.249 534 2HB GLN 70 HB1 GLN 70 6.537 -14.449 14.778 535 1HG GLN 70 HG2 GLN 70 7.658 -13.833 16.754 536 2HG GLN 70 HG1 GLN 70 5.984 -14.144 17.208 537 1HE2 GLN 70 1HE2 GLN 70 9.259 -15.384 17.304 538 2HE2 GLN 70 2HE2 GLN 70 9.005 -16.490 18.608 539 H VAL 71 HN VAL 71 4.125 -15.714 13.310 540 HA VAL 71 HA VAL 71 2.584 -13.464 14.108 541 HB VAL 71 HB VAL 71 2.255 -15.336 11.750 542 1HG1 VAL 71 1HG1 VAL 71 0.773 -12.825 12.482 543 2HG1 VAL 71 3HG1 VAL 71 0.870 -13.415 10.822 544 3HG1 VAL 71 2HG1 VAL 71 0.114 -14.407 12.068 545 1HG2 VAL 71 2HG2 VAL 71 4.266 -13.616 12.141 546 2HG2 VAL 71 1HG2 VAL 71 3.591 -13.954 10.547 547 3HG2 VAL 71 3HG2 VAL 71 3.086 -12.514 11.431 548 H LEU 72 HN LEU 72 1.749 -16.850 13.454 549 HA LEU 72 HA LEU 72 -0.912 -16.772 14.312 550 1HB LEU 72 HB2 LEU 72 1.113 -19.009 14.258 551 2HB LEU 72 HB1 LEU 72 -0.551 -19.257 14.752 552 HG LEU 72 HG LEU 72 0.105 -18.076 12.068 553 1HD1 LEU 72 2HD1 LEU 72 1.331 -20.177 12.223 554 2HD1 LEU 72 1HD1 LEU 72 -0.137 -21.006 12.742 555 3HD1 LEU 72 3HD1 LEU 72 -0.035 -20.323 11.119 556 1HD2 LEU 72 2HD2 LEU 72 -2.195 -17.883 12.855 557 2HD2 LEU 72 1HD2 LEU 72 -2.087 -18.995 11.490 558 3HD2 LEU 72 3HD2 LEU 72 -2.258 -19.624 13.129 559 H SER 73 HN SER 73 2.134 -17.127 16.030 560 HA SER 73 HA SER 73 1.139 -17.938 18.517 561 1HB SER 73 HB2 SER 73 3.289 -17.776 19.204 562 2HB SER 73 HB1 SER 73 3.642 -17.412 17.517 563 HG SER 73 HG SER 73 3.854 -15.320 17.994 564 H VAL 74 HN VAL 74 1.376 -14.721 17.105 565 HA VAL 74 HA VAL 74 0.628 -13.378 19.518 566 HB VAL 74 HB VAL 74 0.523 -11.375 18.305 567 1HG1 VAL 74 2HG1 VAL 74 2.741 -12.855 18.204 568 2HG1 VAL 74 1HG1 VAL 74 2.459 -12.650 16.474 569 3HG1 VAL 74 3HG1 VAL 74 2.633 -11.236 17.513 570 1HG2 VAL 74 2HG2 VAL 74 -0.675 -12.950 16.267 571 2HG2 VAL 74 1HG2 VAL 74 -0.579 -11.194 16.389 572 3HG2 VAL 74 3HG2 VAL 74 0.694 -12.091 15.563 573 H LEU 75 HN LEU 75 -1.101 -15.153 17.151 574 HA LEU 75 HA LEU 75 -3.627 -13.889 17.330 575 1HB LEU 75 HB2 LEU 75 -2.614 -15.878 15.792 576 2HB LEU 75 HB1 LEU 75 -3.581 -16.812 16.918 577 HG LEU 75 HG LEU 75 -5.525 -15.284 16.305 578 1HD1 LEU 75 3HD1 LEU 75 -3.635 -14.562 14.070 579 2HD1 LEU 75 2HD1 LEU 75 -5.357 -14.186 14.111 580 3HD1 LEU 75 1HD1 LEU 75 -4.270 -13.474 15.303 581 1HD2 LEU 75 2HD2 LEU 75 -4.330 -17.052 14.172 582 2HD2 LEU 75 1HD2 LEU 75 -5.344 -17.581 15.514 583 3HD2 LEU 75 3HD2 LEU 75 -6.015 -16.538 14.261 584 H LYS 76 HN LYS 76 -2.006 -16.333 19.207 585 HA LYS 76 HA LYS 76 -4.244 -17.069 20.816 586 1HB LYS 76 HB2 LYS 76 -1.273 -17.403 21.259 587 2HB LYS 76 HB1 LYS 76 -2.505 -18.087 22.308 588 1HG LYS 76 HG2 LYS 76 -2.469 -19.889 21.021 589 2HG LYS 76 HG1 LYS 76 -3.226 -18.919 19.756 590 1HD LYS 76 HD2 LYS 76 -1.033 -18.300 18.898 591 2HD LYS 76 HD1 LYS 76 -0.254 -19.215 20.189 592 1HE LYS 76 HE2 LYS 76 -0.578 -21.183 19.156 593 2HE LYS 76 HE1 LYS 76 -2.202 -20.748 18.626 594 1HZ LYS 76 HZ1 LYS 76 0.307 -19.798 17.351 595 2HZ LYS 76 HZ3 LYS 76 -0.652 -21.067 16.772 596 3HZ LYS 76 HZ2 LYS 76 -1.267 -19.493 16.815 597 H GLY 77 HN GLY 77 -1.758 -14.593 21.024 598 1HA GLY 77 HA1 GLY 77 -1.258 -13.114 22.766 599 2HA GLY 77 HA2 GLY 77 -2.509 -13.867 23.741 600 H GLU 78 HN GLU 78 -4.510 -13.556 21.520 601 HA GLU 78 HA GLU 78 -6.127 -12.107 20.878 602 1HB GLU 78 HB2 GLU 78 -5.126 -10.749 23.369 603 2HB GLU 78 HB1 GLU 78 -6.435 -10.066 22.415 604 1HG GLU 78 HG2 GLU 78 -6.494 -12.868 23.495 605 2HG GLU 78 HG1 GLU 78 -7.104 -11.477 24.390 606 H GLU 79 HN GLU 79 -3.479 -11.823 19.659 607 HA GLU 79 HA GLU 79 -3.544 -8.955 18.978 608 1HB GLU 79 HB2 GLU 79 -1.216 -10.848 18.624 609 2HB GLU 79 HB1 GLU 79 -1.210 -9.112 18.359 610 1HG GLU 79 HG2 GLU 79 -1.562 -10.510 21.002 611 2HG GLU 79 HG1 GLU 79 -0.117 -9.671 20.442 No H/Q in entry = 611 Start of MODEL 61 1 H1 THR 1 HT2 THR 1 20.806 8.118 31.753 2 H2 THR 1 HT1 THR 1 20.178 8.071 30.156 3 H3 THR 1 HT3 THR 1 21.783 8.607 30.429 4 HA THR 1 HA THR 1 20.344 10.436 29.994 5 HB THR 1 HB THR 1 18.623 10.914 31.853 6 HG1 THR 1 HG1 THR 1 18.919 9.448 33.383 7 1HG2 THR 1 1HG2 THR 1 18.035 10.163 29.539 8 2HG2 THR 1 3HG2 THR 1 17.980 8.516 30.166 9 3HG2 THR 1 2HG2 THR 1 16.872 9.736 30.794 10 H GLN 2 HN GLN 2 22.145 11.627 30.372 11 HA GLN 2 HA GLN 2 23.679 12.908 31.444 12 1HB GLN 2 HB2 GLN 2 21.508 13.905 32.300 13 2HB GLN 2 HB1 GLN 2 21.746 12.959 33.763 14 1HG GLN 2 HG2 GLN 2 22.517 15.194 34.135 15 2HG GLN 2 HG1 GLN 2 23.903 14.104 34.114 16 1HE2 GLN 2 1HE2 GLN 2 25.437 14.311 32.530 17 2HE2 GLN 2 2HE2 GLN 2 25.454 15.608 31.388 18 H GLN 3 HN GLN 3 25.185 11.192 31.589 19 HA GLN 3 HA GLN 3 26.130 10.682 34.208 20 1HB GLN 3 HB2 GLN 3 24.162 9.023 33.872 21 2HB GLN 3 HB1 GLN 3 25.258 8.174 32.793 22 1HG GLN 3 HG2 GLN 3 26.365 7.259 34.485 23 2HG GLN 3 HG1 GLN 3 26.508 8.798 35.330 24 1HE2 GLN 3 1HE2 GLN 3 25.862 8.424 37.345 25 2HE2 GLN 3 2HE2 GLN 3 24.387 7.649 37.800 26 HA PRO 4 HA PRO 4 29.076 10.411 30.539 27 1HB PRO 4 HB2 PRO 4 30.516 12.496 32.038 28 2HB PRO 4 HB1 PRO 4 30.031 12.469 30.341 29 1HG PRO 4 HG2 PRO 4 28.833 14.078 32.127 30 2HG PRO 4 HG1 PRO 4 27.941 13.337 30.784 31 1HD PRO 4 HD2 PRO 4 28.038 12.535 33.669 32 2HD PRO 4 HD1 PRO 4 26.650 12.593 32.561 33 H GLN 5 HN GLN 5 29.729 10.933 33.991 34 HA GLN 5 HA GLN 5 32.235 9.555 33.966 35 1HB GLN 5 HB2 GLN 5 30.425 10.575 36.140 36 2HB GLN 5 HB1 GLN 5 31.817 9.575 36.529 37 1HG GLN 5 HG2 GLN 5 32.423 11.872 36.774 38 2HG GLN 5 HG1 GLN 5 33.265 11.213 35.374 39 1HE2 GLN 5 1HE2 GLN 5 30.280 12.941 36.226 40 2HE2 GLN 5 2HE2 GLN 5 30.265 13.952 34.825 41 H GLN 6 HN GLN 6 29.359 8.698 35.891 42 HA GLN 6 HA GLN 6 30.062 5.951 36.046 43 1HB GLN 6 HB2 GLN 6 28.402 7.558 37.460 44 2HB GLN 6 HB1 GLN 6 27.229 6.709 36.465 45 1HG GLN 6 HG2 GLN 6 28.676 4.621 37.311 46 2HG GLN 6 HG1 GLN 6 28.925 5.720 38.666 47 1HE2 GLN 6 1HE2 GLN 6 26.286 4.560 36.577 48 2HE2 GLN 6 2HE2 GLN 6 25.130 4.394 37.849 49 H ASP 7 HN ASP 7 28.166 4.287 35.454 50 HA ASP 7 HA ASP 7 28.074 4.231 32.605 51 1HB ASP 7 HB2 ASP 7 28.239 2.159 33.900 52 2HB ASP 7 HB1 ASP 7 26.668 2.475 34.632 53 H GLU 8 HN GLU 8 26.481 4.763 31.224 54 HA GLU 8 HA GLU 8 24.380 6.468 32.106 55 1HB GLU 8 HB2 GLU 8 23.921 6.838 29.851 56 2HB GLU 8 HB1 GLU 8 25.635 6.460 29.846 57 1HG GLU 8 HG2 GLU 8 23.365 4.647 29.061 58 2HG GLU 8 HG1 GLU 8 24.595 5.342 28.009 59 H MET 9 HN MET 9 22.081 6.040 31.071 60 HA MET 9 HA MET 9 20.987 3.820 32.470 61 1HB MET 9 HB2 MET 9 19.856 5.871 30.589 62 2HB MET 9 HB1 MET 9 18.876 4.509 31.114 63 1HG MET 9 HG2 MET 9 20.248 6.361 33.038 64 2HG MET 9 HG1 MET 9 18.626 6.652 32.416 65 1HE MET 9 HE2 MET 9 20.530 5.463 35.265 66 2HE MET 9 HE1 MET 9 19.128 6.496 35.542 67 3HE MET 9 HE3 MET 9 19.186 4.880 36.247 68 HA PRO 10 HA PRO 10 21.640 0.940 29.088 69 1HB PRO 10 HB2 PRO 10 21.098 -1.307 30.441 70 2HB PRO 10 HB1 PRO 10 22.578 -0.386 30.737 71 1HG PRO 10 HG2 PRO 10 20.039 -0.447 32.316 72 2HG PRO 10 HG1 PRO 10 21.714 -0.437 32.891 73 1HD PRO 10 HD2 PRO 10 20.091 1.788 32.766 74 2HD PRO 10 HD1 PRO 10 21.864 1.837 32.760 75 H SER 11 HN SER 11 19.377 2.307 28.657 76 HA SER 11 HA SER 11 16.992 0.757 28.920 77 1HB SER 11 HB2 SER 11 16.007 2.467 27.394 78 2HB SER 11 HB1 SER 11 16.835 3.176 28.779 79 HG SER 11 HG SER 11 17.521 3.211 26.077 80 HA PRO 12 HA PRO 12 17.400 -1.945 25.439 81 1HB PRO 12 HB2 PRO 12 14.482 -1.807 25.091 82 2HB PRO 12 HB1 PRO 12 15.494 -3.183 25.537 83 1HG PRO 12 HG2 PRO 12 13.852 -1.994 27.305 84 2HG PRO 12 HG1 PRO 12 15.414 -2.683 27.786 85 1HD PRO 12 HD2 PRO 12 14.675 0.178 27.291 86 2HD PRO 12 HD1 PRO 12 15.685 -0.518 28.577 87 H THR 13 HN THR 13 18.404 -0.475 23.996 88 HA THR 13 HA THR 13 16.925 1.416 22.460 89 HB THR 13 HB THR 13 19.021 1.537 21.078 90 HG1 THR 13 HG1 THR 13 20.085 -0.294 21.192 91 1HG2 THR 13 2HG2 THR 13 18.742 2.936 23.098 92 2HG2 THR 13 1HG2 THR 13 19.571 1.689 24.029 93 3HG2 THR 13 3HG2 THR 13 20.421 2.534 22.736 94 H PHE 14 HN PHE 14 15.995 1.253 20.498 95 HA PHE 14 HA PHE 14 16.401 -1.155 18.892 96 1HB PHE 14 HB2 PHE 14 14.431 -1.551 20.402 97 2HB PHE 14 HB1 PHE 14 13.628 -0.190 19.625 98 HD1 PHE 14 HD1 PHE 14 14.944 -3.593 19.098 99 HD2 PHE 14 HD2 PHE 14 12.608 -0.415 17.499 100 HE1 PHE 14 HE1 PHE 14 14.103 -5.099 17.343 101 HE2 PHE 14 HE2 PHE 14 11.761 -1.916 15.742 102 HZ PHE 14 HZ PHE 14 12.509 -4.261 15.664 103 H LEU 15 HN LEU 15 14.291 1.733 19.000 104 HA LEU 15 HA LEU 15 14.231 2.124 16.214 105 1HB LEU 15 HB2 LEU 15 13.298 3.515 18.585 106 2HB LEU 15 HB1 LEU 15 13.856 4.638 17.360 107 HG LEU 15 HG LEU 15 11.453 4.245 17.178 108 1HD1 LEU 15 2HD1 LEU 15 12.837 4.701 15.159 109 2HD1 LEU 15 1HD1 LEU 15 12.893 2.964 14.862 110 3HD1 LEU 15 3HD1 LEU 15 11.349 3.815 14.828 111 1HD2 LEU 15 3HD2 LEU 15 11.552 1.907 18.086 112 2HD2 LEU 15 2HD2 LEU 15 10.514 2.121 16.676 113 3HD2 LEU 15 1HD2 LEU 15 12.108 1.388 16.494 114 H THR 16 HN THR 16 16.551 3.077 18.644 115 HA THR 16 HA THR 16 17.834 5.189 17.349 116 HB THR 16 HB THR 16 19.238 3.098 19.019 117 HG1 THR 16 HG1 THR 16 17.876 3.636 20.513 118 1HG2 THR 16 2HG2 THR 16 19.706 6.057 18.731 119 2HG2 THR 16 1HG2 THR 16 20.568 4.974 19.825 120 3HG2 THR 16 3HG2 THR 16 20.722 4.770 18.080 121 H GLN 17 HN GLN 17 18.457 1.690 17.157 122 HA GLN 17 HA GLN 17 20.632 1.824 15.377 123 1HB GLN 17 HB2 GLN 17 18.602 -0.383 15.788 124 2HB GLN 17 HB1 GLN 17 20.097 -0.557 14.880 125 1HG GLN 17 HG2 GLN 17 20.874 -1.339 16.834 126 2HG GLN 17 HG1 GLN 17 21.080 0.373 17.199 127 1HE2 GLN 17 1HE2 GLN 17 19.245 -2.500 17.837 128 2HE2 GLN 17 2HE2 GLN 17 18.362 -1.884 19.188 129 H VAL 18 HN VAL 18 17.208 1.087 14.735 130 HA VAL 18 HA VAL 18 16.949 0.722 12.131 131 HB VAL 18 HB VAL 18 15.300 2.761 13.632 132 1HG1 VAL 18 2HG1 VAL 18 14.850 1.318 11.034 133 2HG1 VAL 18 1HG1 VAL 18 13.523 1.995 11.977 134 3HG1 VAL 18 3HG1 VAL 18 14.790 3.051 11.352 135 1HG2 VAL 18 3HG2 VAL 18 15.181 -0.228 13.436 136 2HG2 VAL 18 2HG2 VAL 18 15.122 0.797 14.870 137 3HG2 VAL 18 1HG2 VAL 18 13.735 0.720 13.784 138 H LYS 19 HN LYS 19 17.331 4.031 13.430 139 HA LYS 19 HA LYS 19 17.233 5.454 11.078 140 1HB LYS 19 HB2 LYS 19 18.258 5.915 13.766 141 2HB LYS 19 HB1 LYS 19 19.157 6.805 12.546 142 1HG LYS 19 HG2 LYS 19 16.159 6.877 12.700 143 2HG LYS 19 HG1 LYS 19 17.186 7.983 13.613 144 1HD LYS 19 HD2 LYS 19 16.965 9.274 11.772 145 2HD LYS 19 HD1 LYS 19 18.269 8.255 11.160 146 1HE LYS 19 HE2 LYS 19 15.819 6.906 10.683 147 2HE LYS 19 HE1 LYS 19 15.624 8.575 10.149 148 1HZ LYS 19 HZ1 LYS 19 17.638 8.332 8.816 149 2HZ LYS 19 HZ3 LYS 19 17.787 6.720 9.308 150 3HZ LYS 19 HZ2 LYS 19 16.465 7.199 8.368 151 H GLU 20 HN GLU 20 20.110 3.951 12.531 152 HA GLU 20 HA GLU 20 21.942 4.880 10.600 153 1HB GLU 20 HB2 GLU 20 21.992 2.553 12.507 154 2HB GLU 20 HB1 GLU 20 23.317 2.861 11.395 155 1HG GLU 20 HG2 GLU 20 24.042 3.911 13.301 156 2HG GLU 20 HG1 GLU 20 23.292 5.241 12.420 157 H SER 21 HN SER 21 19.758 2.167 10.665 158 HA SER 21 HA SER 21 20.870 0.651 8.562 159 1HB SER 21 HB2 SER 21 19.006 -0.005 10.235 160 2HB SER 21 HB1 SER 21 17.909 0.785 9.103 161 HG SER 21 HG SER 21 18.288 -0.745 7.636 162 H LEU 22 HN LEU 22 18.466 3.256 8.606 163 HA LEU 22 HA LEU 22 17.942 3.194 5.805 164 1HB LEU 22 HB2 LEU 22 17.376 5.148 8.009 165 2HB LEU 22 HB1 LEU 22 17.071 5.587 6.340 166 HG LEU 22 HG LEU 22 15.729 3.289 6.363 167 1HD1 LEU 22 3HD1 LEU 22 15.810 4.169 9.237 168 2HD1 LEU 22 2HD1 LEU 22 14.511 3.176 8.575 169 3HD1 LEU 22 1HD1 LEU 22 16.169 2.577 8.569 170 1HD2 LEU 22 3HD2 LEU 22 14.863 5.544 5.830 171 2HD2 LEU 22 2HD2 LEU 22 13.716 4.563 6.741 172 3HD2 LEU 22 1HD2 LEU 22 14.630 5.834 7.553 173 H SER 23 HN SER 23 20.106 5.093 7.878 174 HA SER 23 HA SER 23 21.007 6.921 5.960 175 1HB SER 23 HB2 SER 23 22.545 5.775 8.306 176 2HB SER 23 HB1 SER 23 22.957 7.246 7.427 177 HG SER 23 HG SER 23 20.974 6.793 9.307 178 H SER 24 HN SER 24 22.473 3.836 6.983 179 HA SER 24 HA SER 24 24.538 3.848 5.057 180 1HB SER 24 HB2 SER 24 24.783 1.449 5.603 181 2HB SER 24 HB1 SER 24 24.647 2.439 7.056 182 HG SER 24 HG SER 24 22.747 1.574 7.488 183 H TYR 25 HN TYR 25 21.175 3.222 4.776 184 HA TYR 25 HA TYR 25 21.320 1.478 2.503 185 1HB TYR 25 HB2 TYR 25 19.303 2.345 4.274 186 2HB TYR 25 HB1 TYR 25 18.813 2.891 2.675 187 HD1 TYR 25 HD1 TYR 25 18.500 1.230 0.849 188 HD2 TYR 25 HD2 TYR 25 19.239 0.038 4.866 189 HE1 TYR 25 HE1 TYR 25 17.686 -1.029 0.323 190 HE2 TYR 25 HE2 TYR 25 18.427 -2.223 4.351 191 HH TYR 25 HH TYR 25 18.285 -3.575 1.722 192 H TRP 26 HN TRP 26 20.778 4.948 3.012 193 HA TRP 26 HA TRP 26 20.235 5.617 0.330 194 1HB TRP 26 HB2 TRP 26 19.738 7.106 2.241 195 2HB TRP 26 HB1 TRP 26 21.464 7.355 2.481 196 HD1 TRP 26 HD1 TRP 26 22.191 9.619 1.566 197 HE1 TRP 26 HE1 TRP 26 21.546 11.108 -0.432 198 HE3 TRP 26 HE3 TRP 26 18.542 6.685 -0.493 199 HZ2 TRP 26 HZ2 TRP 26 19.733 11.047 -2.595 200 HZ3 TRP 26 HZ3 TRP 26 17.403 7.474 -2.526 201 HH2 TRP 26 HH2 TRP 26 17.987 9.610 -3.554 202 H GLU 27 HN GLU 27 23.244 5.364 2.135 203 HA GLU 27 HA GLU 27 25.114 6.566 0.595 204 1HB GLU 27 HB2 GLU 27 25.099 4.179 2.319 205 2HB GLU 27 HB1 GLU 27 26.410 4.221 1.148 206 1HG GLU 27 HG2 GLU 27 27.266 5.217 3.085 207 2HG GLU 27 HG1 GLU 27 26.909 6.553 1.991 208 H SER 28 HN SER 28 24.115 3.179 0.106 209 HA SER 28 HA SER 28 25.252 3.200 -2.572 210 1HB SER 28 HB2 SER 28 25.410 1.264 -0.845 211 2HB SER 28 HB1 SER 28 23.770 0.879 -1.367 212 HG SER 28 HG SER 28 24.498 0.296 -3.294 213 H ALA 29 HN ALA 29 22.274 3.967 -1.174 214 HA ALA 29 HA ALA 29 20.431 2.867 -2.989 215 1HB ALA 29 HB1 ALA 29 19.706 3.876 -0.913 216 2HB ALA 29 HB2 ALA 29 18.912 4.663 -2.274 217 3HB ALA 29 HB3 ALA 29 20.258 5.459 -1.460 218 H LYS 30 HN LYS 30 22.416 5.787 -3.190 219 HA LYS 30 HA LYS 30 21.198 7.067 -5.319 220 1HB LYS 30 HB2 LYS 30 23.339 7.648 -3.852 221 2HB LYS 30 HB1 LYS 30 24.178 7.004 -5.257 222 1HG LYS 30 HG2 LYS 30 22.069 9.094 -5.597 223 2HG LYS 30 HG1 LYS 30 23.700 9.542 -5.096 224 1HD LYS 30 HD2 LYS 30 24.205 7.868 -7.188 225 2HD LYS 30 HD1 LYS 30 22.704 8.639 -7.705 226 1HE LYS 30 HE2 LYS 30 23.672 10.814 -7.503 227 2HE LYS 30 HE1 LYS 30 25.111 10.162 -6.724 228 1HZ LYS 30 HZ3 LYS 30 25.610 8.977 -8.803 229 2HZ LYS 30 HZ2 LYS 30 24.278 9.717 -9.539 230 3HZ LYS 30 HZ1 LYS 30 25.581 10.655 -9.011 231 H THR 31 HN THR 31 23.816 4.660 -5.507 232 HA THR 31 HA THR 31 24.113 4.470 -8.239 233 HB THR 31 HB THR 31 24.105 2.053 -6.426 234 HG1 THR 31 HG1 THR 31 25.544 3.083 -5.309 235 1HG2 THR 31 1HG2 THR 31 25.789 2.761 -8.817 236 2HG2 THR 31 3HG2 THR 31 25.996 1.333 -7.802 237 3HG2 THR 31 2HG2 THR 31 24.521 1.537 -8.749 238 H ALA 32 HN ALA 32 21.662 3.052 -6.153 239 HA ALA 32 HA ALA 32 20.406 1.415 -8.075 240 1HB ALA 32 HB1 ALA 32 18.802 2.699 -5.915 241 2HB ALA 32 HB3 ALA 32 18.779 1.036 -6.501 242 3HB ALA 32 HB2 ALA 32 20.098 1.588 -5.470 243 H ALA 33 HN ALA 33 19.876 4.801 -7.117 244 HA ALA 33 HA ALA 33 17.595 5.389 -8.542 245 1HB ALA 33 HB3 ALA 33 18.917 6.913 -6.995 246 2HB ALA 33 HB2 ALA 33 19.911 7.298 -8.401 247 3HB ALA 33 HB1 ALA 33 18.186 7.666 -8.412 248 H GLN 34 HN GLN 34 20.928 5.732 -9.758 249 HA GLN 34 HA GLN 34 20.144 6.353 -12.404 250 1HB GLN 34 HB2 GLN 34 22.734 5.077 -11.493 251 2HB GLN 34 HB1 GLN 34 22.463 5.904 -13.020 252 1HG GLN 34 HG2 GLN 34 22.840 7.904 -12.125 253 2HG GLN 34 HG1 GLN 34 21.820 7.567 -10.727 254 1HE2 GLN 34 1HE2 GLN 34 25.019 7.714 -11.949 255 2HE2 GLN 34 2HE2 GLN 34 25.836 7.295 -10.486 256 H ASN 35 HN ASN 35 20.845 3.348 -10.714 257 HA ASN 35 HA ASN 35 20.829 1.636 -12.953 258 1HB ASN 35 HB2 ASN 35 21.456 1.211 -10.412 259 2HB ASN 35 HB1 ASN 35 19.788 0.653 -10.333 260 1HD2 ASN 35 1HD2 ASN 35 19.154 -1.105 -11.692 261 2HD2 ASN 35 2HD2 ASN 35 20.327 -2.247 -12.242 262 H LEU 36 HN LEU 36 18.260 3.121 -11.174 263 HA LEU 36 HA LEU 36 16.109 1.466 -11.833 264 1HB LEU 36 HB2 LEU 36 16.219 3.584 -10.301 265 2HB LEU 36 HB1 LEU 36 15.857 4.462 -11.774 266 HG LEU 36 HG LEU 36 13.872 3.982 -10.339 267 1HD1 LEU 36 2HD1 LEU 36 13.880 4.284 -12.896 268 2HD1 LEU 36 1HD1 LEU 36 13.557 2.550 -12.949 269 3HD1 LEU 36 3HD1 LEU 36 12.434 3.631 -12.125 270 1HD2 LEU 36 2HD2 LEU 36 14.690 1.697 -9.659 271 2HD2 LEU 36 1HD2 LEU 36 12.992 1.796 -10.127 272 3HD2 LEU 36 3HD2 LEU 36 14.179 1.131 -11.249 273 H TYR 37 HN TYR 37 17.579 4.216 -13.452 274 HA TYR 37 HA TYR 37 15.944 4.198 -15.765 275 1HB TYR 37 HB2 TYR 37 18.556 5.417 -15.007 276 2HB TYR 37 HB1 TYR 37 18.188 5.297 -16.723 277 HD1 TYR 37 HD1 TYR 37 17.728 7.204 -13.759 278 HD2 TYR 37 HD2 TYR 37 15.917 6.267 -17.494 279 HE1 TYR 37 HE1 TYR 37 16.358 9.241 -13.600 280 HE2 TYR 37 HE2 TYR 37 14.545 8.300 -17.345 281 HH TYR 37 HH TYR 37 15.069 10.767 -15.781 282 H GLU 38 HN GLU 38 18.913 2.532 -14.853 283 HA GLU 38 HA GLU 38 19.645 1.493 -17.346 284 1HB GLU 38 HB2 GLU 38 20.234 0.842 -14.535 285 2HB GLU 38 HB1 GLU 38 20.424 -0.498 -15.654 286 1HG GLU 38 HG2 GLU 38 22.414 0.278 -16.205 287 2HG GLU 38 HG1 GLU 38 21.651 1.729 -16.854 288 H LYS 39 HN LYS 39 17.695 -0.049 -14.813 289 HA LYS 39 HA LYS 39 17.060 -2.362 -16.283 290 1HB LYS 39 HB2 LYS 39 15.754 -1.041 -13.913 291 2HB LYS 39 HB1 LYS 39 15.162 -2.551 -14.591 292 1HG LYS 39 HG2 LYS 39 18.039 -2.329 -13.845 293 2HG LYS 39 HG1 LYS 39 16.829 -2.546 -12.578 294 1HD LYS 39 HD2 LYS 39 16.146 -4.621 -13.428 295 2HD LYS 39 HD1 LYS 39 16.906 -4.328 -14.994 296 1HE LYS 39 HE2 LYS 39 19.088 -4.593 -14.071 297 2HE LYS 39 HE1 LYS 39 18.454 -4.606 -12.426 298 1HZ LYS 39 HZ1 LYS 39 17.845 -6.672 -14.470 299 2HZ LYS 39 HZ3 LYS 39 19.030 -6.831 -13.274 300 3HZ LYS 39 HZ2 LYS 39 17.401 -6.703 -12.838 301 H THR 40 HN THR 40 15.990 0.812 -16.788 302 HA THR 40 HA THR 40 13.309 0.218 -17.612 303 HB THR 40 HB THR 40 15.048 2.605 -18.275 304 HG1 THR 40 HG1 THR 40 14.732 2.551 -16.091 305 1HG2 THR 40 2HG2 THR 40 12.082 2.204 -18.541 306 2HG2 THR 40 1HG2 THR 40 12.868 3.783 -18.549 307 3HG2 THR 40 3HG2 THR 40 13.239 2.608 -19.809 308 H TYR 41 HN TYR 41 16.336 0.856 -19.313 309 HA TYR 41 HA TYR 41 15.333 0.426 -21.923 310 1HB TYR 41 HB2 TYR 41 18.210 -0.039 -21.175 311 2HB TYR 41 HB1 TYR 41 17.552 0.603 -22.675 312 HD1 TYR 41 HD1 TYR 41 16.090 2.866 -22.234 313 HD2 TYR 41 HD2 TYR 41 19.320 1.468 -19.841 314 HE1 TYR 41 HE1 TYR 41 16.464 5.154 -21.410 315 HE2 TYR 41 HE2 TYR 41 19.702 3.750 -19.013 316 HH TYR 41 HH TYR 41 18.901 6.337 -20.299 317 H LEU 42 HN LEU 42 16.723 -1.733 -19.506 318 HA LEU 42 HA LEU 42 16.813 -3.974 -21.346 319 1HB LEU 42 HB2 LEU 42 17.522 -3.607 -18.452 320 2HB LEU 42 HB1 LEU 42 17.435 -5.206 -19.165 321 HG LEU 42 HG LEU 42 19.078 -4.150 -20.944 322 1HD1 LEU 42 1HD1 LEU 42 19.577 -2.473 -18.487 323 2HD1 LEU 42 3HD1 LEU 42 20.626 -2.564 -19.902 324 3HD1 LEU 42 2HD1 LEU 42 19.004 -1.889 -20.049 325 1HD2 LEU 42 1HD2 LEU 42 19.536 -6.071 -19.481 326 2HD2 LEU 42 3HD2 LEU 42 20.941 -5.020 -19.657 327 3HD2 LEU 42 2HD2 LEU 42 19.975 -4.962 -18.181 328 HA PRO 43 HA PRO 43 12.787 -5.469 -20.151 329 1HB PRO 43 HB2 PRO 43 12.712 -7.635 -21.697 330 2HB PRO 43 HB1 PRO 43 12.772 -6.018 -22.408 331 1HG PRO 43 HG2 PRO 43 14.932 -8.051 -22.139 332 2HG PRO 43 HG1 PRO 43 14.640 -6.887 -23.442 333 1HD PRO 43 HD2 PRO 43 16.468 -6.607 -21.310 334 2HD PRO 43 HD1 PRO 43 15.971 -5.343 -22.451 335 H ALA 44 HN ALA 44 15.201 -6.259 -18.459 336 HA ALA 44 HA ALA 44 15.052 -9.004 -17.815 337 1HB ALA 44 HB2 ALA 44 16.015 -6.707 -16.116 338 2HB ALA 44 HB1 ALA 44 16.343 -8.417 -15.832 339 3HB ALA 44 HB3 ALA 44 16.986 -7.623 -17.269 340 H VAL 45 HN VAL 45 12.930 -6.434 -17.067 341 HA VAL 45 HA VAL 45 11.955 -6.826 -14.581 342 HB VAL 45 HB VAL 45 9.666 -6.245 -15.472 343 1HG1 VAL 45 3HG1 VAL 45 11.354 -4.582 -14.749 344 2HG1 VAL 45 2HG1 VAL 45 11.908 -4.467 -16.420 345 3HG1 VAL 45 1HG1 VAL 45 10.266 -3.978 -15.999 346 1HG2 VAL 45 3HG2 VAL 45 11.142 -6.519 -18.065 347 2HG2 VAL 45 2HG2 VAL 45 9.537 -7.102 -17.626 348 3HG2 VAL 45 1HG2 VAL 45 9.802 -5.383 -17.911 349 H ASP 46 HN ASP 46 11.022 -8.758 -17.422 350 HA ASP 46 HA ASP 46 9.324 -10.474 -15.854 351 1HB ASP 46 HB2 ASP 46 10.299 -10.872 -18.687 352 2HB ASP 46 HB1 ASP 46 8.941 -11.684 -17.918 353 H GLU 47 HN GLU 47 12.620 -10.629 -17.131 354 HA GLU 47 HA GLU 47 13.010 -13.405 -16.660 355 1HB GLU 47 HB2 GLU 47 14.407 -11.941 -18.161 356 2HB GLU 47 HB1 GLU 47 15.142 -11.264 -16.716 357 1HG GLU 47 HG2 GLU 47 16.383 -13.124 -17.949 358 2HG GLU 47 HG1 GLU 47 16.243 -13.240 -16.197 359 H LYS 48 HN LYS 48 14.206 -10.585 -14.822 360 HA LYS 48 HA LYS 48 15.267 -11.991 -12.660 361 1HB LYS 48 HB2 LYS 48 14.065 -9.217 -12.672 362 2HB LYS 48 HB1 LYS 48 15.112 -9.866 -11.419 363 1HG LYS 48 HG2 LYS 48 16.034 -9.750 -14.263 364 2HG LYS 48 HG1 LYS 48 16.114 -8.325 -13.226 365 1HD LYS 48 HD2 LYS 48 17.625 -9.341 -11.753 366 2HD LYS 48 HD1 LYS 48 17.259 -10.959 -12.352 367 1HE LYS 48 HE2 LYS 48 18.575 -10.715 -14.217 368 2HE LYS 48 HE1 LYS 48 18.399 -8.961 -14.243 369 1HZ LYS 48 HZ2 LYS 48 20.009 -10.481 -12.262 370 2HZ LYS 48 HZ1 LYS 48 20.636 -9.669 -13.606 371 3HZ LYS 48 HZ3 LYS 48 19.884 -8.797 -12.366 372 H LEU 49 HN LEU 49 11.958 -11.320 -13.446 373 HA LEU 49 HA LEU 49 10.815 -11.481 -10.871 374 1HB LEU 49 HB2 LEU 49 9.861 -11.038 -13.419 375 2HB LEU 49 HB1 LEU 49 9.206 -12.621 -13.045 376 HG LEU 49 HG LEU 49 8.451 -11.437 -10.814 377 1HD1 LEU 49 3HD1 LEU 49 9.651 -9.329 -11.417 378 2HD1 LEU 49 2HD1 LEU 49 8.486 -9.110 -12.723 379 3HD1 LEU 49 1HD1 LEU 49 7.940 -9.121 -11.046 380 1HD2 LEU 49 1HD2 LEU 49 6.968 -12.453 -12.475 381 2HD2 LEU 49 3HD2 LEU 49 6.310 -10.938 -11.859 382 3HD2 LEU 49 2HD2 LEU 49 7.062 -10.990 -13.454 383 H ARG 50 HN ARG 50 10.926 -13.943 -13.454 384 HA ARG 50 HA ARG 50 10.217 -16.101 -11.778 385 1HB ARG 50 HB2 ARG 50 10.624 -15.746 -14.503 386 2HB ARG 50 HB1 ARG 50 11.903 -16.859 -14.035 387 1HG ARG 50 HG2 ARG 50 8.985 -17.272 -13.417 388 2HG ARG 50 HG1 ARG 50 9.824 -17.968 -14.804 389 1HD ARG 50 HD2 ARG 50 10.232 -19.708 -13.457 390 2HD ARG 50 HD1 ARG 50 11.458 -18.674 -12.725 391 HE ARG 50 HE ARG 50 9.101 -18.094 -11.416 392 1HH1 ARG 50 1HH1 ARG 50 11.090 -20.935 -11.895 393 2HH1 ARG 50 2HH1 ARG 50 10.637 -21.656 -10.387 394 1HH2 ARG 50 1HH2 ARG 50 8.504 -19.053 -9.433 395 2HH2 ARG 50 2HH2 ARG 50 9.171 -20.588 -8.989 396 H ASP 51 HN ASP 51 13.286 -14.600 -12.599 397 HA ASP 51 HA ASP 51 15.059 -16.575 -11.749 398 1HB ASP 51 HB2 ASP 51 15.242 -13.575 -11.824 399 2HB ASP 51 HB1 ASP 51 16.560 -14.537 -11.166 400 H LEU 52 HN LEU 52 13.966 -13.754 -9.852 401 HA LEU 52 HA LEU 52 14.995 -14.767 -7.400 402 1HB LEU 52 HB2 LEU 52 14.120 -12.324 -8.281 403 2HB LEU 52 HB1 LEU 52 12.818 -12.807 -7.211 404 HG LEU 52 HG LEU 52 15.642 -12.981 -6.240 405 1HD1 LEU 52 2HD1 LEU 52 15.470 -10.751 -7.207 406 2HD1 LEU 52 1HD1 LEU 52 13.987 -10.461 -6.298 407 3HD1 LEU 52 3HD1 LEU 52 15.516 -10.676 -5.446 408 1HD2 LEU 52 3HD2 LEU 52 12.926 -12.602 -5.012 409 2HD2 LEU 52 2HD2 LEU 52 14.083 -13.907 -4.749 410 3HD2 LEU 52 1HD2 LEU 52 14.414 -12.296 -4.115 411 H TYR 53 HN TYR 53 12.088 -15.369 -9.145 412 HA TYR 53 HA TYR 53 10.371 -15.997 -6.983 413 1HB TYR 53 HB2 TYR 53 10.176 -15.919 -9.788 414 2HB TYR 53 HB1 TYR 53 9.797 -17.573 -9.333 415 HD1 TYR 53 HD1 TYR 53 8.359 -14.535 -10.024 416 HD2 TYR 53 HD2 TYR 53 8.205 -17.619 -7.096 417 HE1 TYR 53 HE1 TYR 53 6.083 -13.836 -9.415 418 HE2 TYR 53 HE2 TYR 53 5.928 -16.927 -6.479 419 HH TYR 53 HH TYR 53 4.635 -14.302 -6.858 420 H SER 54 HN SER 54 12.554 -17.967 -8.977 421 HA SER 54 HA SER 54 11.882 -20.472 -7.899 422 1HB SER 54 HB2 SER 54 14.649 -19.731 -8.859 423 2HB SER 54 HB1 SER 54 13.854 -21.303 -8.935 424 HG SER 54 HG SER 54 13.364 -20.666 -10.883 425 H LYS 55 HN LYS 55 14.562 -18.272 -7.058 426 HA LYS 55 HA LYS 55 15.562 -19.779 -4.908 427 1HB LYS 55 HB2 LYS 55 16.509 -17.675 -6.202 428 2HB LYS 55 HB1 LYS 55 15.759 -16.799 -4.874 429 1HG LYS 55 HG2 LYS 55 17.153 -17.786 -3.279 430 2HG LYS 55 HG1 LYS 55 17.642 -19.078 -4.378 431 1HD LYS 55 HD2 LYS 55 18.750 -17.341 -5.796 432 2HD LYS 55 HD1 LYS 55 18.394 -16.161 -4.533 433 1HE LYS 55 HE2 LYS 55 19.827 -18.686 -3.832 434 2HE LYS 55 HE1 LYS 55 20.713 -17.374 -4.604 435 1HZ LYS 55 HZ3 LYS 55 20.003 -15.900 -2.815 436 2HZ LYS 55 HZ2 LYS 55 19.178 -17.175 -2.069 437 3HZ LYS 55 HZ1 LYS 55 20.863 -17.225 -2.207 438 H SER 56 HN SER 56 13.195 -17.125 -4.984 439 HA SER 56 HA SER 56 12.866 -16.877 -2.205 440 1HB SER 56 HB2 SER 56 10.843 -15.633 -2.697 441 2HB SER 56 HB1 SER 56 12.090 -15.198 -3.864 442 HG SER 56 HG SER 56 9.693 -16.529 -4.236 443 H THR 57 HN THR 57 11.153 -18.962 -4.542 444 HA THR 57 HA THR 57 9.136 -19.883 -2.849 445 HB THR 57 HB THR 57 10.534 -21.303 -5.125 446 HG1 THR 57 HG1 THR 57 8.150 -19.772 -4.993 447 1HG2 THR 57 3HG2 THR 57 7.983 -21.998 -3.702 448 2HG2 THR 57 2HG2 THR 57 8.390 -22.581 -5.316 449 3HG2 THR 57 1HG2 THR 57 9.406 -23.011 -3.940 450 H ALA 58 HN ALA 58 12.436 -21.109 -3.343 451 HA ALA 58 HA ALA 58 12.239 -23.399 -1.734 452 1HB ALA 58 HB3 ALA 58 14.693 -23.319 -1.630 453 2HB ALA 58 HB1 ALA 58 14.660 -21.691 -2.308 454 3HB ALA 58 HB2 ALA 58 14.093 -23.059 -3.267 455 H ALA 59 HN ALA 59 13.517 -20.164 -0.911 456 HA ALA 59 HA ALA 59 13.963 -20.688 1.819 457 1HB ALA 59 HB3 ALA 59 13.419 -18.052 0.458 458 2HB ALA 59 HB1 ALA 59 14.997 -18.809 0.671 459 3HB ALA 59 HB2 ALA 59 14.087 -18.255 2.077 460 H MET 60 HN MET 60 11.115 -19.567 0.074 461 HA MET 60 HA MET 60 9.575 -18.716 2.258 462 1HB MET 60 HB2 MET 60 9.176 -18.446 -0.293 463 2HB MET 60 HB1 MET 60 8.352 -19.993 -0.168 464 1HG MET 60 HG2 MET 60 6.822 -18.080 -0.044 465 2HG MET 60 HG1 MET 60 6.777 -19.085 1.403 466 1HE MET 60 HE1 MET 60 8.050 -15.830 -0.232 467 2HE MET 60 HE3 MET 60 8.754 -14.930 1.111 468 3HE MET 60 HE2 MET 60 9.575 -16.358 0.480 469 H SER 61 HN SER 61 10.319 -21.931 1.134 470 HA SER 61 HA SER 61 8.113 -23.281 2.285 471 1HB SER 61 HB2 SER 61 10.887 -24.369 1.751 472 2HB SER 61 HB1 SER 61 9.417 -25.317 1.978 473 HG SER 61 HG SER 61 10.281 -23.867 -0.226 474 H THR 62 HN THR 62 10.972 -21.939 3.668 475 HA THR 62 HA THR 62 10.552 -23.417 6.171 476 HB THR 62 HB THR 62 12.790 -22.450 6.816 477 HG1 THR 62 HG1 THR 62 13.312 -20.835 5.555 478 1HG2 THR 62 2HG2 THR 62 12.608 -24.729 5.894 479 2HG2 THR 62 1HG2 THR 62 12.873 -24.065 4.282 480 3HG2 THR 62 3HG2 THR 62 14.135 -23.937 5.506 481 H TYR 63 HN TYR 63 11.031 -20.119 4.920 482 HA TYR 63 HA TYR 63 10.571 -18.785 7.342 483 1HB TYR 63 HB2 TYR 63 11.060 -18.075 4.587 484 2HB TYR 63 HB1 TYR 63 9.789 -17.062 5.264 485 HD1 TYR 63 HD1 TYR 63 10.268 -15.768 7.377 486 HD2 TYR 63 HD2 TYR 63 13.323 -17.723 5.153 487 HE1 TYR 63 HE1 TYR 63 11.962 -14.381 8.496 488 HE2 TYR 63 HE2 TYR 63 15.026 -16.341 6.266 489 HH TYR 63 HH TYR 63 14.846 -14.942 8.872 490 H THR 64 HN THR 64 8.400 -20.396 5.216 491 HA THR 64 HA THR 64 6.122 -18.767 5.738 492 HB THR 64 HB THR 64 6.542 -21.482 4.566 493 HG1 THR 64 HG1 THR 64 6.091 -20.410 2.833 494 1HG2 THR 64 1HG2 THR 64 3.893 -20.484 5.560 495 2HG2 THR 64 3HG2 THR 64 4.041 -21.635 4.232 496 3HG2 THR 64 2HG2 THR 64 4.651 -22.054 5.833 497 H GLY 65 HN GLY 65 7.080 -21.950 7.006 498 1HA GLY 65 HA1 GLY 65 6.580 -22.969 9.010 499 2HA GLY 65 HA2 GLY 65 5.126 -21.977 9.063 500 H ILE 66 HN ILE 66 8.456 -20.841 8.878 501 HA ILE 66 HA ILE 66 8.830 -20.283 11.624 502 HB ILE 66 HB ILE 66 10.156 -19.117 9.173 503 1HG1 ILE 66 2HG1 ILE 66 11.378 -20.943 11.232 504 2HG1 ILE 66 1HG1 ILE 66 10.444 -21.589 9.886 505 1HG2 ILE 66 2HG2 ILE 66 10.677 -18.595 12.084 506 2HG2 ILE 66 1HG2 ILE 66 11.929 -18.387 10.859 507 3HG2 ILE 66 3HG2 ILE 66 10.448 -17.433 10.778 508 1HD1 ILE 66 3HD1 ILE 66 12.072 -20.103 8.465 509 2HD1 ILE 66 2HD1 ILE 66 13.098 -20.256 9.892 510 3HD1 ILE 66 1HD1 ILE 66 12.556 -21.699 9.036 511 H PHE 67 HN PHE 67 8.191 -18.026 8.929 512 HA PHE 67 HA PHE 67 7.772 -15.720 10.395 513 1HB PHE 67 HB2 PHE 67 7.905 -15.766 7.934 514 2HB PHE 67 HB1 PHE 67 6.319 -16.525 7.865 515 HD1 PHE 67 HD1 PHE 67 8.137 -13.425 8.628 516 HD2 PHE 67 HD2 PHE 67 4.320 -15.252 8.165 517 HE1 PHE 67 HE1 PHE 67 7.081 -11.203 8.590 518 HE2 PHE 67 HE2 PHE 67 3.259 -13.033 8.125 519 HZ PHE 67 HZ PHE 67 4.639 -11.005 8.337 520 H THR 68 HN THR 68 5.227 -17.930 9.239 521 HA THR 68 HA THR 68 3.137 -16.690 10.653 522 HB THR 68 HB THR 68 3.221 -19.563 9.734 523 HG1 THR 68 HG1 THR 68 2.607 -17.202 8.288 524 1HG2 THR 68 3HG2 THR 68 0.969 -17.664 10.290 525 2HG2 THR 68 2HG2 THR 68 0.780 -19.087 9.266 526 3HG2 THR 68 1HG2 THR 68 1.245 -19.273 10.958 527 H ASP 69 HN ASP 69 5.611 -18.768 11.752 528 HA ASP 69 HA ASP 69 4.332 -20.162 13.812 529 1HB ASP 69 HB2 ASP 69 6.926 -19.977 12.931 530 2HB ASP 69 HB1 ASP 69 7.022 -19.204 14.509 531 H GLN 70 HN GLN 70 6.158 -17.102 14.099 532 HA GLN 70 HA GLN 70 5.238 -16.586 16.741 533 1HB GLN 70 HB2 GLN 70 7.254 -15.592 15.169 534 2HB GLN 70 HB1 GLN 70 6.118 -14.250 15.194 535 1HG GLN 70 HG2 GLN 70 7.242 -15.621 17.627 536 2HG GLN 70 HG1 GLN 70 7.812 -14.094 16.960 537 1HE2 GLN 70 1HE2 GLN 70 6.172 -12.349 16.809 538 2HE2 GLN 70 2HE2 GLN 70 5.005 -12.226 18.076 539 H VAL 71 HN VAL 71 3.937 -15.924 13.601 540 HA VAL 71 HA VAL 71 2.225 -13.766 14.307 541 HB VAL 71 HB VAL 71 1.964 -15.785 12.062 542 1HG1 VAL 71 3HG1 VAL 71 0.457 -13.245 12.639 543 2HG1 VAL 71 2HG1 VAL 71 0.521 -13.975 11.034 544 3HG1 VAL 71 1HG1 VAL 71 -0.190 -14.865 12.380 545 1HG2 VAL 71 1HG2 VAL 71 3.977 -14.099 12.264 546 2HG2 VAL 71 3HG2 VAL 71 3.186 -14.391 10.715 547 3HG2 VAL 71 2HG2 VAL 71 2.785 -12.951 11.653 548 H LEU 72 HN LEU 72 1.646 -17.227 13.796 549 HA LEU 72 HA LEU 72 -0.997 -17.325 14.709 550 1HB LEU 72 HB2 LEU 72 0.431 -19.132 13.512 551 2HB LEU 72 HB1 LEU 72 0.959 -19.570 15.126 552 HG LEU 72 HG LEU 72 -1.548 -19.800 15.677 553 1HD1 LEU 72 3HD1 LEU 72 -1.659 -19.913 12.666 554 2HD1 LEU 72 2HD1 LEU 72 -2.965 -20.363 13.763 555 3HD1 LEU 72 1HD1 LEU 72 -2.410 -18.691 13.692 556 1HD2 LEU 72 1HD2 LEU 72 -0.216 -21.724 13.773 557 2HD2 LEU 72 3HD2 LEU 72 -0.009 -21.684 15.524 558 3HD2 LEU 72 2HD2 LEU 72 -1.578 -22.096 14.831 559 H SER 73 HN SER 73 2.101 -17.408 16.364 560 HA SER 73 HA SER 73 1.236 -18.200 18.904 561 1HB SER 73 HB2 SER 73 3.643 -17.904 18.085 562 2HB SER 73 HB1 SER 73 3.438 -16.190 18.445 563 HG SER 73 HG SER 73 4.220 -16.979 20.297 564 H VAL 74 HN VAL 74 1.241 -15.042 17.359 565 HA VAL 74 HA VAL 74 0.430 -13.601 19.691 566 HB VAL 74 HB VAL 74 0.080 -12.788 16.797 567 1HG1 VAL 74 1HG1 VAL 74 -0.101 -11.314 19.400 568 2HG1 VAL 74 3HG1 VAL 74 0.317 -10.472 17.908 569 3HG1 VAL 74 2HG1 VAL 74 -1.225 -11.318 18.041 570 1HG2 VAL 74 2HG2 VAL 74 2.468 -13.089 18.385 571 2HG2 VAL 74 1HG2 VAL 74 2.299 -12.667 16.681 572 3HG2 VAL 74 3HG2 VAL 74 2.238 -11.406 17.911 573 H LEU 75 HN LEU 75 -1.216 -15.631 17.461 574 HA LEU 75 HA LEU 75 -3.798 -14.480 17.555 575 1HB LEU 75 HB2 LEU 75 -2.699 -16.513 16.153 576 2HB LEU 75 HB1 LEU 75 -3.600 -17.422 17.351 577 HG LEU 75 HG LEU 75 -4.955 -15.258 15.779 578 1HD1 LEU 75 3HD1 LEU 75 -3.862 -16.665 14.121 579 2HD1 LEU 75 2HD1 LEU 75 -4.547 -18.105 14.874 580 3HD1 LEU 75 1HD1 LEU 75 -5.606 -16.920 14.111 581 1HD2 LEU 75 1HD2 LEU 75 -5.819 -17.753 17.221 582 2HD2 LEU 75 3HD2 LEU 75 -6.259 -16.080 17.566 583 3HD2 LEU 75 2HD2 LEU 75 -6.877 -16.873 16.117 584 H LYS 76 HN LYS 76 -2.095 -16.749 19.582 585 HA LYS 76 HA LYS 76 -4.313 -17.443 21.234 586 1HB LYS 76 HB2 LYS 76 -2.043 -18.675 20.888 587 2HB LYS 76 HB1 LYS 76 -1.461 -17.604 22.155 588 1HG LYS 76 HG2 LYS 76 -3.730 -18.544 23.293 589 2HG LYS 76 HG1 LYS 76 -3.245 -19.929 22.312 590 1HD LYS 76 HD2 LYS 76 -2.128 -20.335 24.294 591 2HD LYS 76 HD1 LYS 76 -0.895 -19.498 23.348 592 1HE LYS 76 HE2 LYS 76 -1.585 -17.375 24.455 593 2HE LYS 76 HE1 LYS 76 -2.668 -18.314 25.482 594 1HZ LYS 76 HZ3 LYS 76 0.282 -18.637 25.335 595 2HZ LYS 76 HZ2 LYS 76 -0.563 -17.866 26.580 596 3HZ LYS 76 HZ1 LYS 76 -0.759 -19.526 26.328 597 H GLY 77 HN GLY 77 -1.659 -15.093 21.540 598 1HA GLY 77 HA1 GLY 77 -1.248 -13.666 23.386 599 2HA GLY 77 HA2 GLY 77 -2.825 -14.086 24.035 600 H GLU 78 HN GLU 78 -4.521 -13.551 21.968 601 HA GLU 78 HA GLU 78 -4.795 -10.746 22.106 602 1HB GLU 78 HB2 GLU 78 -2.960 -11.418 20.195 603 2HB GLU 78 HB1 GLU 78 -4.442 -11.380 19.252 604 1HG GLU 78 HG2 GLU 78 -3.665 -9.224 19.052 605 2HG GLU 78 HG1 GLU 78 -4.821 -9.087 20.376 606 H GLU 79 HN GLU 79 -5.489 -13.425 19.848 607 HA GLU 79 HA GLU 79 -7.436 -14.379 19.175 608 1HB GLU 79 HB2 GLU 79 -8.044 -13.961 21.668 609 2HB GLU 79 HB1 GLU 79 -9.022 -12.641 21.043 610 1HG GLU 79 HG2 GLU 79 -9.282 -15.506 20.161 611 2HG GLU 79 HG1 GLU 79 -10.268 -14.754 21.414 No H/Q in entry = 611 Start of MODEL 62 1 H1 THR 1 HT1 THR 1 28.601 -0.921 22.567 2 H2 THR 1 HT3 THR 1 28.039 -2.457 22.055 3 H3 THR 1 HT2 THR 1 29.160 -2.341 23.350 4 HA THR 1 HA THR 1 30.856 -1.620 21.959 5 HB THR 1 HB THR 1 30.834 -3.539 20.247 6 HG1 THR 1 HG1 THR 1 29.108 -4.742 20.095 7 1HG2 THR 1 3HG2 THR 1 31.799 -3.751 22.524 8 2HG2 THR 1 2HG2 THR 1 30.235 -4.352 23.078 9 3HG2 THR 1 1HG2 THR 1 31.149 -5.254 21.868 10 H GLN 2 HN GLN 2 28.010 -2.247 19.875 11 HA GLN 2 HA GLN 2 29.100 -0.568 17.786 12 1HB GLN 2 HB2 GLN 2 26.676 -2.307 18.061 13 2HB GLN 2 HB1 GLN 2 26.736 -1.105 16.779 14 1HG GLN 2 HG2 GLN 2 27.497 -3.083 15.800 15 2HG GLN 2 HG1 GLN 2 28.953 -2.140 16.112 16 1HE2 GLN 2 1HE2 GLN 2 26.998 -4.836 17.227 17 2HE2 GLN 2 2HE2 GLN 2 28.261 -5.634 18.095 18 H GLN 3 HN GLN 3 26.174 -0.535 19.832 19 HA GLN 3 HA GLN 3 25.604 2.205 19.051 20 1HB GLN 3 HB2 GLN 3 24.154 0.042 20.463 21 2HB GLN 3 HB1 GLN 3 23.772 1.681 20.969 22 1HG GLN 3 HG2 GLN 3 22.208 1.201 19.315 23 2HG GLN 3 HG1 GLN 3 23.420 2.185 18.497 24 1HE2 GLN 3 1HE2 GLN 3 24.847 1.186 17.030 25 2HE2 GLN 3 2HE2 GLN 3 24.483 -0.348 16.323 26 HA PRO 4 HA PRO 4 27.483 4.145 22.536 27 1HB PRO 4 HB2 PRO 4 25.882 6.282 22.942 28 2HB PRO 4 HB1 PRO 4 26.925 6.137 21.522 29 1HG PRO 4 HG2 PRO 4 23.992 5.592 21.783 30 2HG PRO 4 HG1 PRO 4 24.864 6.430 20.485 31 1HD PRO 4 HD2 PRO 4 24.059 3.835 20.306 32 2HD PRO 4 HD1 PRO 4 25.489 4.470 19.468 33 H GLN 5 HN GLN 5 26.900 2.255 23.908 34 HA GLN 5 HA GLN 5 24.556 2.334 25.536 35 1HB GLN 5 HB2 GLN 5 27.005 0.655 25.383 36 2HB GLN 5 HB1 GLN 5 26.140 0.665 26.914 37 1HG GLN 5 HG2 GLN 5 25.366 -1.175 25.608 38 2HG GLN 5 HG1 GLN 5 24.079 0.025 25.706 39 1HE2 GLN 5 1HE2 GLN 5 26.442 -1.490 23.640 40 2HE2 GLN 5 2HE2 GLN 5 25.777 -0.940 22.143 41 H GLN 6 HN GLN 6 24.284 4.026 26.859 42 HA GLN 6 HA GLN 6 26.386 5.440 28.136 43 1HB GLN 6 HB2 GLN 6 23.505 5.627 27.934 44 2HB GLN 6 HB1 GLN 6 24.033 5.936 29.581 45 1HG GLN 6 HG2 GLN 6 25.808 7.412 28.115 46 2HG GLN 6 HG1 GLN 6 24.321 7.560 27.179 47 1HE2 GLN 6 1HE2 GLN 6 25.945 8.352 30.125 48 2HE2 GLN 6 2HE2 GLN 6 24.745 9.430 30.742 49 H ASP 7 HN ASP 7 25.900 5.846 30.704 50 HA ASP 7 HA ASP 7 26.839 3.468 31.963 51 1HB ASP 7 HB2 ASP 7 26.969 4.771 33.982 52 2HB ASP 7 HB1 ASP 7 27.498 5.785 32.645 53 H GLU 8 HN GLU 8 23.700 4.853 31.499 54 HA GLU 8 HA GLU 8 22.365 3.556 33.655 55 1HB GLU 8 HB2 GLU 8 21.452 4.866 31.104 56 2HB GLU 8 HB1 GLU 8 20.311 4.025 32.142 57 1HG GLU 8 HG2 GLU 8 20.135 6.232 32.812 58 2HG GLU 8 HG1 GLU 8 21.202 5.520 34.018 59 H MET 9 HN MET 9 20.252 2.180 32.708 60 HA MET 9 HA MET 9 21.373 -0.342 32.030 61 1HB MET 9 HB2 MET 9 19.230 0.143 33.364 62 2HB MET 9 HB1 MET 9 18.450 0.353 31.803 63 1HG MET 9 HG2 MET 9 19.997 -2.116 32.039 64 2HG MET 9 HG1 MET 9 18.650 -1.993 33.170 65 1HE MET 9 HE2 MET 9 19.894 -2.914 29.900 66 2HE MET 9 HE1 MET 9 18.903 -4.225 30.539 67 3HE MET 9 HE3 MET 9 18.456 -3.438 29.026 68 HA PRO 10 HA PRO 10 21.392 0.483 27.609 69 1HB PRO 10 HB2 PRO 10 22.741 -1.735 26.878 70 2HB PRO 10 HB1 PRO 10 23.539 -0.356 27.641 71 1HG PRO 10 HG2 PRO 10 22.641 -2.938 28.861 72 2HG PRO 10 HG1 PRO 10 24.155 -2.048 29.112 73 1HD PRO 10 HD2 PRO 10 22.053 -1.942 30.844 74 2HD PRO 10 HD1 PRO 10 23.204 -0.609 30.625 75 H SER 11 HN SER 11 19.150 0.257 27.266 76 HA SER 11 HA SER 11 17.858 -2.291 27.194 77 1HB SER 11 HB2 SER 11 17.049 0.460 26.245 78 2HB SER 11 HB1 SER 11 16.016 -0.954 26.032 79 HG SER 11 HG SER 11 15.718 -1.085 28.168 80 HA PRO 12 HA PRO 12 18.692 -3.896 23.179 81 1HB PRO 12 HB2 PRO 12 15.757 -3.963 22.680 82 2HB PRO 12 HB1 PRO 12 16.947 -5.265 22.577 83 1HG PRO 12 HG2 PRO 12 15.257 -5.136 24.627 84 2HG PRO 12 HG1 PRO 12 16.943 -5.630 24.867 85 1HD PRO 12 HD2 PRO 12 15.626 -3.019 25.478 86 2HD PRO 12 HD1 PRO 12 16.877 -3.892 26.386 87 H THR 13 HN THR 13 19.587 -2.328 21.931 88 HA THR 13 HA THR 13 18.160 -0.046 20.987 89 HB THR 13 HB THR 13 20.234 0.185 19.480 90 HG1 THR 13 HG1 THR 13 21.372 -1.571 19.410 91 1HG2 THR 13 3HG2 THR 13 20.450 0.130 22.470 92 2HG2 THR 13 2HG2 THR 13 21.755 0.687 21.422 93 3HG2 THR 13 1HG2 THR 13 20.200 1.520 21.412 94 H PHE 14 HN PHE 14 16.335 -0.846 19.911 95 HA PHE 14 HA PHE 14 16.841 -2.293 17.400 96 1HB PHE 14 HB2 PHE 14 15.250 -3.348 18.988 97 2HB PHE 14 HB1 PHE 14 14.224 -1.922 18.879 98 HD1 PHE 14 HD1 PHE 14 15.529 -4.829 17.036 99 HD2 PHE 14 HD2 PHE 14 12.782 -1.578 17.020 100 HE1 PHE 14 HE1 PHE 14 14.383 -5.810 15.091 101 HE2 PHE 14 HE2 PHE 14 11.632 -2.553 15.076 102 HZ PHE 14 HZ PHE 14 12.433 -4.672 14.110 103 H LEU 15 HN LEU 15 14.453 0.107 18.558 104 HA LEU 15 HA LEU 15 13.942 1.192 16.010 105 1HB LEU 15 HB2 LEU 15 13.460 2.160 18.809 106 2HB LEU 15 HB1 LEU 15 13.109 3.195 17.439 107 HG LEU 15 HG LEU 15 11.778 0.990 16.665 108 1HD1 LEU 15 3HD1 LEU 15 11.709 0.960 19.677 109 2HD1 LEU 15 2HD1 LEU 15 10.594 0.080 18.632 110 3HD1 LEU 15 1HD1 LEU 15 12.312 -0.315 18.619 111 1HD2 LEU 15 1HD2 LEU 15 10.876 3.254 16.812 112 2HD2 LEU 15 3HD2 LEU 15 9.759 2.076 17.501 113 3HD2 LEU 15 2HD2 LEU 15 10.736 3.090 18.562 114 H THR 16 HN THR 16 16.121 2.217 18.617 115 HA THR 16 HA THR 16 17.022 4.614 17.502 116 HB THR 16 HB THR 16 19.106 4.186 18.889 117 HG1 THR 16 HG1 THR 16 19.358 2.100 19.178 118 1HG2 THR 16 2HG2 THR 16 17.167 5.353 19.839 119 2HG2 THR 16 1HG2 THR 16 16.508 3.801 20.354 120 3HG2 THR 16 3HG2 THR 16 18.029 4.382 21.032 121 H GLN 17 HN GLN 17 18.237 1.301 17.086 122 HA GLN 17 HA GLN 17 20.475 1.930 15.508 123 1HB GLN 17 HB2 GLN 17 19.734 -0.316 16.643 124 2HB GLN 17 HB1 GLN 17 18.951 -0.617 15.098 125 1HG GLN 17 HG2 GLN 17 21.819 0.194 15.152 126 2HG GLN 17 HG1 GLN 17 21.373 -1.464 15.552 127 1HE2 GLN 17 1HE2 GLN 17 20.212 -2.695 13.953 128 2HE2 GLN 17 2HE2 GLN 17 20.421 -2.337 12.275 129 H VAL 18 HN VAL 18 17.192 0.930 14.557 130 HA VAL 18 HA VAL 18 17.147 0.685 11.928 131 HB VAL 18 HB VAL 18 15.267 2.503 13.437 132 1HG1 VAL 18 1HG1 VAL 18 15.126 1.361 10.662 133 2HG1 VAL 18 3HG1 VAL 18 13.679 1.828 11.555 134 3HG1 VAL 18 2HG1 VAL 18 14.911 3.033 11.178 135 1HG2 VAL 18 1HG2 VAL 18 15.592 -0.391 13.254 136 2HG2 VAL 18 3HG2 VAL 18 14.699 0.578 14.426 137 3HG2 VAL 18 2HG2 VAL 18 13.957 0.154 12.884 138 H LYS 19 HN LYS 19 17.279 3.937 13.410 139 HA LYS 19 HA LYS 19 17.259 5.472 11.123 140 1HB LYS 19 HB2 LYS 19 18.655 5.911 13.755 141 2HB LYS 19 HB1 LYS 19 18.650 7.124 12.484 142 1HG LYS 19 HG2 LYS 19 16.121 5.958 13.606 143 2HG LYS 19 HG1 LYS 19 16.913 7.371 14.306 144 1HD LYS 19 HD2 LYS 19 16.756 8.499 12.109 145 2HD LYS 19 HD1 LYS 19 15.872 7.104 11.486 146 1HE LYS 19 HE2 LYS 19 14.114 8.436 12.069 147 2HE LYS 19 HE1 LYS 19 14.347 7.580 13.592 148 1HZ LYS 19 HZ2 LYS 19 15.424 10.272 12.938 149 2HZ LYS 19 HZ1 LYS 19 14.101 9.955 13.942 150 3HZ LYS 19 HZ3 LYS 19 15.650 9.451 14.400 151 H GLU 20 HN GLU 20 20.139 4.163 12.759 152 HA GLU 20 HA GLU 20 21.998 5.147 10.882 153 1HB GLU 20 HB2 GLU 20 22.681 4.430 13.110 154 2HB GLU 20 HB1 GLU 20 22.189 2.782 12.753 155 1HG GLU 20 HG2 GLU 20 24.173 3.973 10.925 156 2HG GLU 20 HG1 GLU 20 24.714 3.654 12.571 157 H SER 21 HN SER 21 20.032 2.270 10.999 158 HA SER 21 HA SER 21 21.342 0.772 9.000 159 1HB SER 21 HB2 SER 21 19.695 -0.754 9.327 160 2HB SER 21 HB1 SER 21 19.265 0.270 10.694 161 HG SER 21 HG SER 21 17.581 1.055 9.599 162 H LEU 22 HN LEU 22 18.884 3.288 8.855 163 HA LEU 22 HA LEU 22 18.291 2.989 6.088 164 1HB LEU 22 HB2 LEU 22 17.636 4.908 8.234 165 2HB LEU 22 HB1 LEU 22 17.598 5.556 6.606 166 HG LEU 22 HG LEU 22 15.383 4.832 7.277 167 1HD1 LEU 22 1HD1 LEU 22 16.200 4.545 4.908 168 2HD1 LEU 22 3HD1 LEU 22 16.421 2.836 5.283 169 3HD1 LEU 22 2HD1 LEU 22 14.815 3.558 5.372 170 1HD2 LEU 22 3HD2 LEU 22 16.035 3.141 8.916 171 2HD2 LEU 22 2HD2 LEU 22 14.890 2.489 7.744 172 3HD2 LEU 22 1HD2 LEU 22 16.604 2.095 7.615 173 H SER 23 HN SER 23 20.514 5.087 7.905 174 HA SER 23 HA SER 23 21.321 6.712 5.775 175 1HB SER 23 HB2 SER 23 23.131 7.415 7.136 176 2HB SER 23 HB1 SER 23 21.838 7.017 8.265 177 HG SER 23 HG SER 23 22.934 5.312 8.949 178 H SER 24 HN SER 24 22.682 3.648 6.950 179 HA SER 24 HA SER 24 24.787 3.496 5.072 180 1HB SER 24 HB2 SER 24 23.348 1.379 6.677 181 2HB SER 24 HB1 SER 24 24.719 1.015 5.631 182 HG SER 24 HG SER 24 26.041 2.041 6.971 183 H TYR 25 HN TYR 25 21.393 2.963 4.783 184 HA TYR 25 HA TYR 25 21.544 1.252 2.471 185 1HB TYR 25 HB2 TYR 25 19.620 1.356 4.163 186 2HB TYR 25 HB1 TYR 25 19.135 2.840 3.350 187 HD1 TYR 25 HD1 TYR 25 18.421 2.761 0.964 188 HD2 TYR 25 HD2 TYR 25 19.179 -0.777 3.204 189 HE1 TYR 25 HE1 TYR 25 17.188 1.446 -0.707 190 HE2 TYR 25 HE2 TYR 25 17.948 -2.102 1.537 191 HH TYR 25 HH TYR 25 15.878 -1.194 -0.373 192 H TRP 26 HN TRP 26 20.858 4.680 3.101 193 HA TRP 26 HA TRP 26 20.333 5.424 0.435 194 1HB TRP 26 HB2 TRP 26 19.695 6.835 2.328 195 2HB TRP 26 HB1 TRP 26 21.390 7.097 2.725 196 HD1 TRP 26 HD1 TRP 26 22.147 9.418 1.995 197 HE1 TRP 26 HE1 TRP 26 21.637 11.007 0.035 198 HE3 TRP 26 HE3 TRP 26 18.734 6.551 -0.511 199 HZ2 TRP 26 HZ2 TRP 26 20.005 11.040 -2.269 200 HZ3 TRP 26 HZ3 TRP 26 17.747 7.434 -2.584 201 HH2 TRP 26 HH2 TRP 26 18.370 9.632 -3.443 202 H GLU 27 HN GLU 27 23.308 5.130 2.264 203 HA GLU 27 HA GLU 27 25.179 6.508 0.884 204 1HB GLU 27 HB2 GLU 27 25.174 4.019 2.423 205 2HB GLU 27 HB1 GLU 27 26.462 4.084 1.229 206 1HG GLU 27 HG2 GLU 27 27.639 5.517 2.443 207 2HG GLU 27 HG1 GLU 27 26.246 6.568 2.691 208 H SER 28 HN SER 28 24.257 3.166 0.056 209 HA SER 28 HA SER 28 25.370 3.536 -2.623 210 1HB SER 28 HB2 SER 28 25.779 1.478 -1.059 211 2HB SER 28 HB1 SER 28 24.203 0.950 -1.648 212 HG SER 28 HG SER 28 25.132 0.381 -3.434 213 H ALA 29 HN ALA 29 22.413 3.983 -1.148 214 HA ALA 29 HA ALA 29 20.591 2.770 -2.909 215 1HB ALA 29 HB2 ALA 29 19.847 3.682 -0.809 216 2HB ALA 29 HB3 ALA 29 18.980 4.475 -2.124 217 3HB ALA 29 HB1 ALA 29 20.304 5.308 -1.313 218 H LYS 30 HN LYS 30 22.322 5.847 -3.138 219 HA LYS 30 HA LYS 30 20.929 7.048 -5.205 220 1HB LYS 30 HB2 LYS 30 22.828 8.046 -3.883 221 2HB LYS 30 HB1 LYS 30 23.932 7.129 -4.899 222 1HG LYS 30 HG2 LYS 30 23.119 8.313 -6.868 223 2HG LYS 30 HG1 LYS 30 21.988 9.220 -5.862 224 1HD LYS 30 HD2 LYS 30 23.727 10.714 -6.014 225 2HD LYS 30 HD1 LYS 30 24.157 9.856 -4.533 226 1HE LYS 30 HE2 LYS 30 25.179 8.677 -7.034 227 2HE LYS 30 HE1 LYS 30 25.846 10.253 -6.610 228 1HZ LYS 30 HZ2 LYS 30 26.356 9.308 -4.383 229 2HZ LYS 30 HZ1 LYS 30 25.894 7.786 -4.960 230 3HZ LYS 30 HZ3 LYS 30 27.217 8.587 -5.648 231 H THR 31 HN THR 31 23.689 4.819 -5.504 232 HA THR 31 HA THR 31 23.952 4.714 -8.242 233 HB THR 31 HB THR 31 24.106 2.256 -6.490 234 HG1 THR 31 HG1 THR 31 25.989 4.361 -6.746 235 1HG2 THR 31 3HG2 THR 31 25.683 3.109 -8.905 236 2HG2 THR 31 2HG2 THR 31 26.028 1.692 -7.914 237 3HG2 THR 31 1HG2 THR 31 24.514 1.791 -8.815 238 H ALA 32 HN ALA 32 21.607 3.122 -6.161 239 HA ALA 32 HA ALA 32 20.412 1.467 -8.108 240 1HB ALA 32 HB2 ALA 32 18.782 2.626 -5.894 241 2HB ALA 32 HB1 ALA 32 18.812 0.981 -6.530 242 3HB ALA 32 HB3 ALA 32 20.126 1.552 -5.501 243 H ALA 33 HN ALA 33 19.701 4.790 -7.042 244 HA ALA 33 HA ALA 33 17.390 5.295 -8.458 245 1HB ALA 33 HB1 ALA 33 18.624 6.836 -6.849 246 2HB ALA 33 HB3 ALA 33 19.587 7.332 -8.241 247 3HB ALA 33 HB2 ALA 33 17.843 7.594 -8.238 248 H GLN 34 HN GLN 34 20.708 5.822 -9.641 249 HA GLN 34 HA GLN 34 19.915 6.517 -12.266 250 1HB GLN 34 HB2 GLN 34 22.533 5.371 -11.264 251 2HB GLN 34 HB1 GLN 34 22.285 6.042 -12.870 252 1HG GLN 34 HG2 GLN 34 22.591 8.115 -12.148 253 2HG GLN 34 HG1 GLN 34 21.457 7.896 -10.815 254 1HE2 GLN 34 1HE2 GLN 34 24.766 7.906 -11.789 255 2HE2 GLN 34 2HE2 GLN 34 25.453 7.717 -10.215 256 H ASN 35 HN ASN 35 20.716 3.477 -10.684 257 HA ASN 35 HA ASN 35 20.764 1.837 -12.975 258 1HB ASN 35 HB2 ASN 35 21.496 1.292 -10.551 259 2HB ASN 35 HB1 ASN 35 19.808 0.857 -10.298 260 1HD2 ASN 35 1HD2 ASN 35 18.968 -0.959 -11.314 261 2HD2 ASN 35 2HD2 ASN 35 19.976 -2.151 -12.052 262 H LEU 36 HN LEU 36 18.148 3.194 -11.177 263 HA LEU 36 HA LEU 36 16.045 1.490 -11.873 264 1HB LEU 36 HB2 LEU 36 16.050 3.530 -10.278 265 2HB LEU 36 HB1 LEU 36 15.753 4.483 -11.720 266 HG LEU 36 HG LEU 36 13.943 2.179 -11.214 267 1HD1 LEU 36 2HD1 LEU 36 14.139 3.189 -9.003 268 2HD1 LEU 36 1HD1 LEU 36 13.772 4.773 -9.688 269 3HD1 LEU 36 3HD1 LEU 36 12.552 3.500 -9.708 270 1HD2 LEU 36 3HD2 LEU 36 13.598 4.979 -12.279 271 2HD2 LEU 36 2HD2 LEU 36 13.633 3.483 -13.212 272 3HD2 LEU 36 1HD2 LEU 36 12.295 3.803 -12.109 273 H TYR 37 HN TYR 37 17.434 4.316 -13.433 274 HA TYR 37 HA TYR 37 15.807 4.292 -15.752 275 1HB TYR 37 HB2 TYR 37 17.855 5.916 -14.734 276 2HB TYR 37 HB1 TYR 37 18.483 5.292 -16.257 277 HD1 TYR 37 HD1 TYR 37 16.560 7.832 -14.776 278 HD2 TYR 37 HD2 TYR 37 16.801 5.442 -18.288 279 HE1 TYR 37 HE1 TYR 37 15.243 9.508 -15.999 280 HE2 TYR 37 HE2 TYR 37 15.485 7.113 -19.521 281 HH TYR 37 HH TYR 37 15.140 9.986 -18.930 282 H GLU 38 HN GLU 38 18.824 2.706 -14.854 283 HA GLU 38 HA GLU 38 19.585 1.723 -17.364 284 1HB GLU 38 HB2 GLU 38 20.186 1.010 -14.558 285 2HB GLU 38 HB1 GLU 38 20.481 -0.248 -15.749 286 1HG GLU 38 HG2 GLU 38 22.514 0.864 -15.560 287 2HG GLU 38 HG1 GLU 38 21.798 1.512 -17.035 288 H LYS 39 HN LYS 39 17.810 -0.031 -14.832 289 HA LYS 39 HA LYS 39 17.238 -2.294 -16.380 290 1HB LYS 39 HB2 LYS 39 15.592 -2.850 -14.661 291 2HB LYS 39 HB1 LYS 39 17.100 -2.299 -13.947 292 1HG LYS 39 HG2 LYS 39 16.176 -0.239 -13.311 293 2HG LYS 39 HG1 LYS 39 14.774 -0.450 -14.361 294 1HD LYS 39 HD2 LYS 39 13.681 -1.732 -12.859 295 2HD LYS 39 HD1 LYS 39 15.155 -2.546 -12.329 296 1HE LYS 39 HE2 LYS 39 15.774 -0.487 -11.083 297 2HE LYS 39 HE1 LYS 39 14.213 0.204 -11.526 298 1HZ LYS 39 HZ1 LYS 39 14.600 -2.284 -9.946 299 2HZ LYS 39 HZ3 LYS 39 14.189 -0.772 -9.305 300 3HZ LYS 39 HZ2 LYS 39 13.114 -1.574 -10.335 301 H THR 40 HN THR 40 15.966 0.832 -16.734 302 HA THR 40 HA THR 40 13.302 0.157 -17.487 303 HB THR 40 HB THR 40 14.970 2.570 -18.233 304 HG1 THR 40 HG1 THR 40 14.673 2.569 -16.053 305 1HG2 THR 40 2HG2 THR 40 12.013 2.101 -18.466 306 2HG2 THR 40 1HG2 THR 40 12.765 3.695 -18.513 307 3HG2 THR 40 3HG2 THR 40 13.149 2.503 -19.754 308 H TYR 41 HN TYR 41 16.280 0.723 -19.286 309 HA TYR 41 HA TYR 41 15.207 0.297 -21.869 310 1HB TYR 41 HB2 TYR 41 18.074 -0.174 -21.037 311 2HB TYR 41 HB1 TYR 41 17.478 0.223 -22.644 312 HD1 TYR 41 HD1 TYR 41 19.038 1.515 -19.806 313 HD2 TYR 41 HD2 TYR 41 16.120 2.533 -22.732 314 HE1 TYR 41 HE1 TYR 41 19.415 3.900 -19.345 315 HE2 TYR 41 HE2 TYR 41 16.489 4.921 -22.278 316 HH TYR 41 HH TYR 41 18.435 6.017 -19.612 317 H LEU 42 HN LEU 42 16.855 -1.875 -19.585 318 HA LEU 42 HA LEU 42 16.792 -4.127 -21.350 319 1HB LEU 42 HB2 LEU 42 17.429 -3.794 -18.431 320 2HB LEU 42 HB1 LEU 42 17.394 -5.373 -19.191 321 HG LEU 42 HG LEU 42 19.063 -4.222 -20.894 322 1HD1 LEU 42 2HD1 LEU 42 19.310 -2.572 -18.389 323 2HD1 LEU 42 1HD1 LEU 42 20.599 -2.718 -19.584 324 3HD1 LEU 42 3HD1 LEU 42 19.048 -2.011 -20.041 325 1HD2 LEU 42 1HD2 LEU 42 19.844 -5.183 -18.143 326 2HD2 LEU 42 3HD2 LEU 42 19.552 -6.195 -19.558 327 3HD2 LEU 42 2HD2 LEU 42 20.917 -5.078 -19.539 328 HA PRO 43 HA PRO 43 12.762 -5.653 -20.225 329 1HB PRO 43 HB2 PRO 43 12.781 -7.896 -21.658 330 2HB PRO 43 HB1 PRO 43 12.855 -6.316 -22.446 331 1HG PRO 43 HG2 PRO 43 15.014 -8.313 -22.000 332 2HG PRO 43 HG1 PRO 43 14.780 -7.192 -23.350 333 1HD PRO 43 HD2 PRO 43 16.490 -6.839 -21.121 334 2HD PRO 43 HD1 PRO 43 16.081 -5.630 -22.353 335 H ALA 44 HN ALA 44 15.076 -6.326 -18.364 336 HA ALA 44 HA ALA 44 14.921 -9.041 -17.598 337 1HB ALA 44 HB3 ALA 44 15.729 -6.687 -15.898 338 2HB ALA 44 HB2 ALA 44 16.124 -8.381 -15.614 339 3HB ALA 44 HB1 ALA 44 16.791 -7.544 -17.015 340 H VAL 45 HN VAL 45 12.735 -6.469 -17.112 341 HA VAL 45 HA VAL 45 11.602 -6.722 -14.684 342 HB VAL 45 HB VAL 45 9.365 -6.249 -15.773 343 1HG1 VAL 45 3HG1 VAL 45 10.940 -4.513 -14.999 344 2HG1 VAL 45 2HG1 VAL 45 11.659 -4.482 -16.609 345 3HG1 VAL 45 1HG1 VAL 45 9.977 -3.999 -16.385 346 1HG2 VAL 45 2HG2 VAL 45 11.054 -6.593 -18.228 347 2HG2 VAL 45 1HG2 VAL 45 9.448 -7.234 -17.883 348 3HG2 VAL 45 3HG2 VAL 45 9.657 -5.518 -18.228 349 H ASP 46 HN ASP 46 10.785 -8.829 -17.452 350 HA ASP 46 HA ASP 46 8.980 -10.427 -15.922 351 1HB ASP 46 HB2 ASP 46 8.977 -10.089 -18.455 352 2HB ASP 46 HB1 ASP 46 10.292 -11.260 -18.505 353 H GLU 47 HN GLU 47 12.416 -10.613 -16.651 354 HA GLU 47 HA GLU 47 12.775 -13.341 -15.922 355 1HB GLU 47 HB2 GLU 47 14.360 -11.588 -17.149 356 2HB GLU 47 HB1 GLU 47 14.987 -11.386 -15.518 357 1HG GLU 47 HG2 GLU 47 15.107 -13.996 -15.559 358 2HG GLU 47 HG1 GLU 47 15.082 -13.765 -17.306 359 H LYS 48 HN LYS 48 13.282 -10.314 -14.116 360 HA LYS 48 HA LYS 48 14.244 -11.289 -11.734 361 1HB LYS 48 HB2 LYS 48 13.392 -8.842 -12.656 362 2HB LYS 48 HB1 LYS 48 12.256 -9.175 -11.357 363 1HG LYS 48 HG2 LYS 48 13.929 -9.226 -9.741 364 2HG LYS 48 HG1 LYS 48 15.206 -9.462 -10.936 365 1HD LYS 48 HD2 LYS 48 15.060 -7.218 -11.673 366 2HD LYS 48 HD1 LYS 48 13.537 -6.960 -10.821 367 1HE LYS 48 HE2 LYS 48 14.693 -7.192 -8.680 368 2HE LYS 48 HE1 LYS 48 16.214 -7.469 -9.526 369 1HZ LYS 48 HZ3 LYS 48 14.594 -4.982 -9.670 370 2HZ LYS 48 HZ2 LYS 48 16.012 -5.181 -8.769 371 3HZ LYS 48 HZ1 LYS 48 16.068 -5.249 -10.457 372 H LEU 49 HN LEU 49 10.944 -11.443 -12.914 373 HA LEU 49 HA LEU 49 9.654 -12.003 -10.469 374 1HB LEU 49 HB2 LEU 49 9.002 -12.233 -13.336 375 2HB LEU 49 HB1 LEU 49 8.149 -13.357 -12.297 376 HG LEU 49 HG LEU 49 7.719 -11.099 -10.912 377 1HD1 LEU 49 3HD1 LEU 49 7.998 -10.238 -13.786 378 2HD1 LEU 49 2HD1 LEU 49 7.182 -9.303 -12.534 379 3HD1 LEU 49 1HD1 LEU 49 8.907 -9.637 -12.399 380 1HD2 LEU 49 1HD2 LEU 49 6.143 -12.029 -13.309 381 2HD2 LEU 49 3HD2 LEU 49 6.009 -12.653 -11.665 382 3HD2 LEU 49 2HD2 LEU 49 5.534 -10.993 -12.021 383 H ARG 50 HN ARG 50 10.445 -14.275 -13.104 384 HA ARG 50 HA ARG 50 10.119 -16.595 -11.537 385 1HB ARG 50 HB2 ARG 50 11.190 -15.955 -14.219 386 2HB ARG 50 HB1 ARG 50 11.799 -17.435 -13.492 387 1HG ARG 50 HG2 ARG 50 9.941 -18.071 -14.777 388 2HG ARG 50 HG1 ARG 50 9.388 -18.084 -13.102 389 1HD ARG 50 HD2 ARG 50 8.780 -15.547 -13.779 390 2HD ARG 50 HD1 ARG 50 8.615 -16.332 -15.349 391 HE ARG 50 HE ARG 50 6.815 -17.562 -14.535 392 1HH1 ARG 50 1HH1 ARG 50 8.191 -15.578 -11.993 393 2HH1 ARG 50 2HH1 ARG 50 6.836 -15.778 -10.938 394 1HH2 ARG 50 1HH2 ARG 50 5.037 -17.819 -13.135 395 2HH2 ARG 50 2HH2 ARG 50 5.048 -17.051 -11.583 396 H ASP 51 HN ASP 51 12.816 -14.418 -12.024 397 HA ASP 51 HA ASP 51 14.949 -16.023 -11.211 398 1HB ASP 51 HB2 ASP 51 14.445 -13.062 -10.982 399 2HB ASP 51 HB1 ASP 51 15.922 -13.783 -10.356 400 H LEU 52 HN LEU 52 13.128 -13.723 -9.177 401 HA LEU 52 HA LEU 52 14.212 -14.689 -6.740 402 1HB LEU 52 HB2 LEU 52 12.002 -12.840 -7.503 403 2HB LEU 52 HB1 LEU 52 12.033 -13.454 -5.862 404 HG LEU 52 HG LEU 52 13.104 -11.305 -5.907 405 1HD1 LEU 52 3HD1 LEU 52 14.079 -13.214 -4.537 406 2HD1 LEU 52 2HD1 LEU 52 15.354 -13.286 -5.753 407 3HD1 LEU 52 1HD1 LEU 52 15.113 -11.813 -4.814 408 1HD2 LEU 52 2HD2 LEU 52 13.687 -11.248 -8.281 409 2HD2 LEU 52 1HD2 LEU 52 15.072 -10.846 -7.267 410 3HD2 LEU 52 3HD2 LEU 52 14.951 -12.444 -8.002 411 H TYR 53 HN TYR 53 11.635 -15.795 -8.753 412 HA TYR 53 HA TYR 53 10.051 -17.097 -6.798 413 1HB TYR 53 HB2 TYR 53 10.153 -16.916 -9.696 414 2HB TYR 53 HB1 TYR 53 9.776 -18.551 -9.171 415 HD1 TYR 53 HD1 TYR 53 7.523 -18.989 -9.251 416 HD2 TYR 53 HD2 TYR 53 8.800 -15.123 -8.014 417 HE1 TYR 53 HE1 TYR 53 5.180 -18.335 -8.896 418 HE2 TYR 53 HE2 TYR 53 6.460 -14.459 -7.654 419 HH TYR 53 HH TYR 53 4.084 -16.269 -7.181 420 H SER 54 HN SER 54 12.756 -18.177 -8.831 421 HA SER 54 HA SER 54 12.715 -20.891 -8.112 422 1HB SER 54 HB2 SER 54 14.041 -19.790 -9.998 423 2HB SER 54 HB1 SER 54 15.223 -19.341 -8.769 424 HG SER 54 HG SER 54 14.651 -21.818 -9.866 425 H LYS 55 HN LYS 55 14.629 -18.194 -6.772 426 HA LYS 55 HA LYS 55 15.920 -19.677 -4.759 427 1HB LYS 55 HB2 LYS 55 15.326 -16.753 -5.121 428 2HB LYS 55 HB1 LYS 55 16.066 -17.334 -3.636 429 1HG LYS 55 HG2 LYS 55 17.995 -16.991 -4.707 430 2HG LYS 55 HG1 LYS 55 17.636 -18.516 -5.519 431 1HD LYS 55 HD2 LYS 55 18.031 -17.170 -7.332 432 2HD LYS 55 HD1 LYS 55 16.290 -16.947 -7.151 433 1HE LYS 55 HE2 LYS 55 16.864 -14.934 -5.698 434 2HE LYS 55 HE1 LYS 55 18.509 -15.100 -6.311 435 1HZ LYS 55 HZ3 LYS 55 17.208 -15.113 -8.597 436 2HZ LYS 55 HZ2 LYS 55 16.091 -14.223 -7.692 437 3HZ LYS 55 HZ1 LYS 55 17.681 -13.672 -7.844 438 H SER 56 HN SER 56 12.912 -17.791 -4.722 439 HA SER 56 HA SER 56 12.327 -18.083 -1.991 440 1HB SER 56 HB2 SER 56 10.603 -17.530 -4.397 441 2HB SER 56 HB1 SER 56 9.926 -17.628 -2.773 442 HG SER 56 HG SER 56 11.590 -15.703 -3.900 443 H THR 57 HN THR 57 12.143 -20.460 -4.496 444 HA THR 57 HA THR 57 9.982 -21.998 -3.646 445 HB THR 57 HB THR 57 12.566 -23.019 -4.845 446 HG1 THR 57 HG1 THR 57 10.230 -21.994 -6.084 447 1HG2 THR 57 3HG2 THR 57 9.788 -24.169 -4.858 448 2HG2 THR 57 2HG2 THR 57 11.115 -24.736 -5.872 449 3HG2 THR 57 1HG2 THR 57 11.230 -24.864 -4.117 450 H ALA 58 HN ALA 58 13.436 -22.527 -2.867 451 HA ALA 58 HA ALA 58 12.687 -24.282 -0.674 452 1HB ALA 58 HB2 ALA 58 14.544 -24.923 -2.120 453 2HB ALA 58 HB1 ALA 58 15.415 -23.459 -1.661 454 3HB ALA 58 HB3 ALA 58 15.082 -24.703 -0.454 455 H ALA 59 HN ALA 59 14.294 -21.151 -1.133 456 HA ALA 59 HA ALA 59 14.990 -20.693 1.551 457 1HB ALA 59 HB2 ALA 59 15.360 -18.408 0.925 458 2HB ALA 59 HB3 ALA 59 14.360 -18.593 -0.515 459 3HB ALA 59 HB1 ALA 59 15.897 -19.447 -0.394 460 H MET 60 HN MET 60 12.297 -19.164 -0.250 461 HA MET 60 HA MET 60 11.079 -18.046 2.013 462 1HB MET 60 HB2 MET 60 10.718 -17.679 -0.594 463 2HB MET 60 HB1 MET 60 9.380 -18.783 -0.314 464 1HG MET 60 HG2 MET 60 8.351 -17.312 1.212 465 2HG MET 60 HG1 MET 60 9.795 -16.307 1.329 466 1HE MET 60 HE1 MET 60 10.790 -15.024 -0.516 467 2HE MET 60 HE3 MET 60 9.823 -14.113 -1.676 468 3HE MET 60 HE2 MET 60 9.609 -13.844 0.054 469 H SER 61 HN SER 61 11.024 -21.311 0.891 470 HA SER 61 HA SER 61 8.503 -22.093 1.919 471 1HB SER 61 HB2 SER 61 10.829 -23.402 0.758 472 2HB SER 61 HB1 SER 61 10.114 -24.357 2.056 473 HG SER 61 HG SER 61 9.076 -23.660 -0.423 474 H THR 62 HN THR 62 11.416 -21.279 3.510 475 HA THR 62 HA THR 62 10.695 -22.779 5.921 476 HB THR 62 HB THR 62 12.906 -22.101 6.776 477 HG1 THR 62 HG1 THR 62 13.701 -20.370 5.916 478 1HG2 THR 62 3HG2 THR 62 12.735 -24.150 5.395 479 2HG2 THR 62 2HG2 THR 62 13.200 -23.191 3.991 480 3HG2 THR 62 1HG2 THR 62 14.318 -23.377 5.341 481 H TYR 63 HN TYR 63 11.448 -19.468 4.864 482 HA TYR 63 HA TYR 63 10.831 -18.204 7.295 483 1HB TYR 63 HB2 TYR 63 10.583 -16.893 4.593 484 2HB TYR 63 HB1 TYR 63 11.025 -16.155 6.128 485 HD1 TYR 63 HD1 TYR 63 12.322 -16.869 3.092 486 HD2 TYR 63 HD2 TYR 63 13.187 -17.613 7.190 487 HE1 TYR 63 HE1 TYR 63 14.696 -17.164 2.530 488 HE2 TYR 63 HE2 TYR 63 15.564 -17.909 6.640 489 HH TYR 63 HH TYR 63 16.760 -18.633 3.979 490 H THR 64 HN THR 64 8.817 -19.591 4.871 491 HA THR 64 HA THR 64 6.565 -17.890 5.247 492 HB THR 64 HB THR 64 5.313 -20.014 4.352 493 HG1 THR 64 HG1 THR 64 6.544 -21.663 4.063 494 1HG2 THR 64 2HG2 THR 64 7.111 -18.181 2.891 495 2HG2 THR 64 1HG2 THR 64 6.513 -19.599 2.029 496 3HG2 THR 64 3HG2 THR 64 5.376 -18.447 2.729 497 H GLY 65 HN GLY 65 7.049 -21.256 6.306 498 1HA GLY 65 HA1 GLY 65 6.281 -22.361 8.171 499 2HA GLY 65 HA2 GLY 65 4.933 -21.228 8.173 500 H ILE 66 HN ILE 66 8.348 -20.402 8.418 501 HA ILE 66 HA ILE 66 8.478 -20.147 11.231 502 HB ILE 66 HB ILE 66 10.185 -19.275 8.956 503 1HG1 ILE 66 2HG1 ILE 66 11.862 -20.534 10.076 504 2HG1 ILE 66 1HG1 ILE 66 10.980 -20.497 11.598 505 1HG2 ILE 66 3HG2 ILE 66 10.261 -17.980 11.663 506 2HG2 ILE 66 2HG2 ILE 66 11.698 -18.101 10.647 507 3HG2 ILE 66 1HG2 ILE 66 10.284 -17.220 10.071 508 1HD1 ILE 66 1HD1 ILE 66 9.762 -21.844 9.237 509 2HD1 ILE 66 3HD1 ILE 66 11.032 -22.655 10.152 510 3HD1 ILE 66 2HD1 ILE 66 9.541 -22.163 10.956 511 H PHE 67 HN PHE 67 8.215 -17.620 8.712 512 HA PHE 67 HA PHE 67 7.865 -15.419 10.351 513 1HB PHE 67 HB2 PHE 67 8.139 -15.215 7.930 514 2HB PHE 67 HB1 PHE 67 6.552 -15.931 7.672 515 HD1 PHE 67 HD1 PHE 67 8.332 -12.964 8.939 516 HD2 PHE 67 HD2 PHE 67 4.573 -14.638 7.853 517 HE1 PHE 67 HE1 PHE 67 7.314 -10.727 9.028 518 HE2 PHE 67 HE2 PHE 67 3.549 -12.403 7.939 519 HZ PHE 67 HZ PHE 67 4.920 -10.444 8.528 520 H THR 68 HN THR 68 5.244 -17.330 8.868 521 HA THR 68 HA THR 68 3.168 -16.081 10.299 522 HB THR 68 HB THR 68 1.764 -17.965 9.537 523 HG1 THR 68 HG1 THR 68 2.923 -19.752 9.501 524 1HG2 THR 68 2HG2 THR 68 2.426 -16.078 7.977 525 2HG2 THR 68 1HG2 THR 68 3.572 -17.216 7.269 526 3HG2 THR 68 3HG2 THR 68 1.845 -17.569 7.237 527 H ASP 69 HN ASP 69 5.428 -18.445 11.287 528 HA ASP 69 HA ASP 69 3.952 -19.925 13.140 529 1HB ASP 69 HB2 ASP 69 6.611 -19.821 12.398 530 2HB ASP 69 HB1 ASP 69 6.653 -19.289 14.075 531 H GLN 70 HN GLN 70 5.972 -17.052 13.807 532 HA GLN 70 HA GLN 70 4.984 -16.742 16.456 533 1HB GLN 70 HB2 GLN 70 7.191 -15.866 15.370 534 2HB GLN 70 HB1 GLN 70 6.207 -14.486 14.907 535 1HG GLN 70 HG2 GLN 70 5.776 -13.914 17.156 536 2HG GLN 70 HG1 GLN 70 6.407 -15.452 17.742 537 1HE2 GLN 70 1HE2 GLN 70 8.662 -15.800 17.726 538 2HE2 GLN 70 2HE2 GLN 70 9.771 -14.477 17.665 539 H VAL 71 HN VAL 71 3.866 -15.672 13.358 540 HA VAL 71 HA VAL 71 2.257 -13.494 14.226 541 HB VAL 71 HB VAL 71 1.973 -15.239 11.765 542 1HG1 VAL 71 1HG1 VAL 71 0.604 -12.684 12.569 543 2HG1 VAL 71 3HG1 VAL 71 0.705 -13.222 10.892 544 3HG1 VAL 71 2HG1 VAL 71 -0.127 -14.216 12.088 545 1HG2 VAL 71 1HG2 VAL 71 4.086 -13.747 12.209 546 2HG2 VAL 71 3HG2 VAL 71 3.326 -13.775 10.618 547 3HG2 VAL 71 2HG2 VAL 71 3.006 -12.441 11.724 548 H LEU 72 HN LEU 72 1.502 -16.835 13.321 549 HA LEU 72 HA LEU 72 -1.182 -16.862 14.110 550 1HB LEU 72 HB2 LEU 72 0.864 -19.083 14.003 551 2HB LEU 72 HB1 LEU 72 -0.839 -19.352 14.325 552 HG LEU 72 HG LEU 72 -0.034 -17.914 11.827 553 1HD1 LEU 72 1HD1 LEU 72 1.363 -19.964 11.982 554 2HD1 LEU 72 3HD1 LEU 72 -0.119 -20.915 12.083 555 3HD1 LEU 72 2HD1 LEU 72 0.227 -19.974 10.633 556 1HD2 LEU 72 3HD2 LEU 72 -2.395 -18.029 12.456 557 2HD2 LEU 72 2HD2 LEU 72 -2.078 -18.939 10.979 558 3HD2 LEU 72 1HD2 LEU 72 -2.298 -19.790 12.508 559 H SER 73 HN SER 73 1.830 -17.394 15.849 560 HA SER 73 HA SER 73 0.788 -18.342 18.265 561 1HB SER 73 HB2 SER 73 3.242 -18.222 17.542 562 2HB SER 73 HB1 SER 73 3.204 -16.547 18.092 563 HG SER 73 HG SER 73 3.862 -17.695 19.830 564 H VAL 74 HN VAL 74 1.272 -15.033 17.135 565 HA VAL 74 HA VAL 74 0.455 -13.845 19.601 566 HB VAL 74 HB VAL 74 1.850 -12.763 17.715 567 1HG1 VAL 74 1HG1 VAL 74 -0.692 -12.942 16.400 568 2HG1 VAL 74 3HG1 VAL 74 -0.215 -11.253 16.565 569 3HG1 VAL 74 2HG1 VAL 74 0.860 -12.398 15.765 570 1HG2 VAL 74 3HG2 VAL 74 1.175 -11.637 19.778 571 2HG2 VAL 74 2HG2 VAL 74 1.150 -10.536 18.401 572 3HG2 VAL 74 1HG2 VAL 74 -0.360 -11.192 19.032 573 H LEU 75 HN LEU 75 -1.252 -15.335 17.047 574 HA LEU 75 HA LEU 75 -3.670 -13.867 17.108 575 1HB LEU 75 HB2 LEU 75 -2.758 -15.797 15.509 576 2HB LEU 75 HB1 LEU 75 -3.712 -16.797 16.585 577 HG LEU 75 HG LEU 75 -4.966 -16.209 14.581 578 1HD1 LEU 75 3HD1 LEU 75 -6.032 -16.406 16.900 579 2HD1 LEU 75 2HD1 LEU 75 -6.193 -14.651 16.828 580 3HD1 LEU 75 1HD1 LEU 75 -6.979 -15.660 15.613 581 1HD2 LEU 75 3HD2 LEU 75 -4.509 -13.368 15.472 582 2HD2 LEU 75 2HD2 LEU 75 -3.958 -14.124 13.978 583 3HD2 LEU 75 1HD2 LEU 75 -5.680 -13.850 14.245 584 H LYS 76 HN LYS 76 -2.462 -16.613 18.902 585 HA LYS 76 HA LYS 76 -4.854 -17.100 20.381 586 1HB LYS 76 HB2 LYS 76 -2.816 -18.664 19.944 587 2HB LYS 76 HB1 LYS 76 -2.125 -17.879 21.357 588 1HG LYS 76 HG2 LYS 76 -3.811 -18.702 22.772 589 2HG LYS 76 HG1 LYS 76 -4.839 -19.159 21.413 590 1HD LYS 76 HD2 LYS 76 -3.962 -21.199 22.056 591 2HD LYS 76 HD1 LYS 76 -2.847 -20.712 20.778 592 1HE LYS 76 HE2 LYS 76 -1.445 -19.684 22.666 593 2HE LYS 76 HE1 LYS 76 -2.442 -20.651 23.753 594 1HZ LYS 76 HZ1 LYS 76 -1.747 -22.637 22.549 595 2HZ LYS 76 HZ3 LYS 76 -0.773 -21.701 21.529 596 3HZ LYS 76 HZ2 LYS 76 -0.413 -21.811 23.178 597 H GLY 77 HN GLY 77 -2.018 -15.077 20.863 598 1HA GLY 77 HA1 GLY 77 -1.458 -13.571 22.503 599 2HA GLY 77 HA2 GLY 77 -2.439 -14.514 23.614 600 H GLU 78 HN GLU 78 -2.356 -11.783 21.451 601 HA GLU 78 HA GLU 78 -5.118 -11.073 22.138 602 1HB GLU 78 HB2 GLU 78 -2.655 -9.459 22.764 603 2HB GLU 78 HB1 GLU 78 -4.232 -8.700 22.592 604 1HG GLU 78 HG2 GLU 78 -4.474 -9.076 24.767 605 2HG GLU 78 HG1 GLU 78 -4.752 -10.759 24.323 606 H GLU 79 HN GLU 79 -3.902 -11.939 19.621 607 HA GLU 79 HA GLU 79 -4.203 -9.475 18.029 608 1HB GLU 79 HB2 GLU 79 -1.983 -10.682 17.911 609 2HB GLU 79 HB1 GLU 79 -2.833 -12.015 17.142 610 1HG GLU 79 HG2 GLU 79 -3.297 -9.392 15.916 611 2HG GLU 79 HG1 GLU 79 -1.636 -9.974 15.828 No H/Q in entry = 611 Start of MODEL 63 1 H1 THR 1 HT2 THR 1 11.854 2.246 51.563 2 H2 THR 1 HT1 THR 1 12.945 1.088 50.921 3 H3 THR 1 HT3 THR 1 13.529 2.606 51.465 4 HA THR 1 HA THR 1 12.328 3.725 49.760 5 HB THR 1 HB THR 1 13.976 1.416 48.700 6 HG1 THR 1 HG1 THR 1 15.456 2.279 49.904 7 1HG2 THR 1 3HG2 THR 1 13.534 4.180 47.603 8 2HG2 THR 1 2HG2 THR 1 14.735 3.033 47.009 9 3HG2 THR 1 1HG2 THR 1 13.017 2.657 46.881 10 H GLN 2 HN GLN 2 10.736 3.770 48.245 11 HA GLN 2 HA GLN 2 8.807 1.690 48.218 12 1HB GLN 2 HB2 GLN 2 8.445 4.202 47.831 13 2HB GLN 2 HB1 GLN 2 8.972 3.905 46.181 14 1HG GLN 2 HG2 GLN 2 6.734 2.335 47.402 15 2HG GLN 2 HG1 GLN 2 6.460 3.921 46.684 16 1HE2 GLN 2 1HE2 GLN 2 7.520 4.128 44.429 17 2HE2 GLN 2 2HE2 GLN 2 7.239 2.801 43.359 18 H GLN 3 HN GLN 3 10.956 2.927 45.643 19 HA GLN 3 HA GLN 3 10.920 0.245 44.446 20 1HB GLN 3 HB2 GLN 3 9.585 2.370 43.335 21 2HB GLN 3 HB1 GLN 3 11.135 2.448 42.511 22 1HG GLN 3 HG2 GLN 3 9.751 1.124 41.157 23 2HG GLN 3 HG1 GLN 3 10.833 0.000 41.978 24 1HE2 GLN 3 1HE2 GLN 3 7.573 1.095 41.612 25 2HE2 GLN 3 2HE2 GLN 3 6.828 -0.146 42.554 26 HA PRO 4 HA PRO 4 15.265 1.743 44.999 27 1HB PRO 4 HB2 PRO 4 16.221 -0.459 46.209 28 2HB PRO 4 HB1 PRO 4 15.340 0.790 47.096 29 1HG PRO 4 HG2 PRO 4 14.363 -1.845 46.060 30 2HG PRO 4 HG1 PRO 4 14.057 -1.077 47.629 31 1HD PRO 4 HD2 PRO 4 12.287 -1.014 45.552 32 2HD PRO 4 HD1 PRO 4 12.384 0.248 46.793 33 H GLN 5 HN GLN 5 13.752 -0.227 42.900 34 HA GLN 5 HA GLN 5 15.860 -1.929 42.004 35 1HB GLN 5 HB2 GLN 5 13.288 -1.026 40.702 36 2HB GLN 5 HB1 GLN 5 14.399 -2.163 39.954 37 1HG GLN 5 HG2 GLN 5 13.238 -3.758 40.962 38 2HG GLN 5 HG1 GLN 5 14.002 -3.230 42.461 39 1HE2 GLN 5 1HE2 GLN 5 12.792 -2.254 44.003 40 2HE2 GLN 5 2HE2 GLN 5 11.092 -1.978 43.872 41 H GLN 6 HN GLN 6 16.747 -1.792 39.754 42 HA GLN 6 HA GLN 6 18.115 0.668 39.403 43 1HB GLN 6 HB2 GLN 6 19.116 -0.368 37.442 44 2HB GLN 6 HB1 GLN 6 19.088 -1.508 38.780 45 1HG GLN 6 HG2 GLN 6 17.591 -2.884 37.765 46 2HG GLN 6 HG1 GLN 6 16.816 -1.574 36.876 47 1HE2 GLN 6 1HE2 GLN 6 19.297 -3.966 36.864 48 2HE2 GLN 6 2HE2 GLN 6 19.835 -3.711 35.243 49 H ASP 7 HN ASP 7 18.233 1.557 36.990 50 HA ASP 7 HA ASP 7 15.718 2.806 36.510 51 1HB ASP 7 HB2 ASP 7 18.130 3.701 36.081 52 2HB ASP 7 HB1 ASP 7 17.981 2.869 34.537 53 H GLU 8 HN GLU 8 14.707 2.885 34.318 54 HA GLU 8 HA GLU 8 13.963 0.264 33.499 55 1HB GLU 8 HB2 GLU 8 13.388 2.816 31.995 56 2HB GLU 8 HB1 GLU 8 12.462 1.324 31.972 57 1HG GLU 8 HG2 GLU 8 11.134 2.325 33.447 58 2HG GLU 8 HG1 GLU 8 12.407 1.999 34.623 59 H MET 9 HN MET 9 14.434 -0.866 31.639 60 HA MET 9 HA MET 9 16.986 -0.428 30.473 61 1HB MET 9 HB2 MET 9 15.625 -2.639 30.798 62 2HB MET 9 HB1 MET 9 14.937 -2.232 29.232 63 1HG MET 9 HG2 MET 9 17.826 -2.023 29.236 64 2HG MET 9 HG1 MET 9 17.273 -3.629 29.706 65 1HE MET 9 HE3 MET 9 19.029 -2.770 27.188 66 2HE MET 9 HE2 MET 9 18.182 -2.731 25.641 67 3HE MET 9 HE1 MET 9 18.099 -1.344 26.727 68 HA PRO 10 HA PRO 10 15.659 2.420 27.293 69 1HB PRO 10 HB2 PRO 10 18.027 2.625 26.000 70 2HB PRO 10 HB1 PRO 10 17.730 3.395 27.563 71 1HG PRO 10 HG2 PRO 10 19.147 0.827 26.956 72 2HG PRO 10 HG1 PRO 10 19.609 2.121 28.076 73 1HD PRO 10 HD2 PRO 10 18.407 -0.173 28.890 74 2HD PRO 10 HD1 PRO 10 18.179 1.380 29.719 75 H SER 11 HN SER 11 16.476 2.480 24.726 76 HA SER 11 HA SER 11 15.136 0.237 23.575 77 1HB SER 11 HB2 SER 11 15.868 2.855 22.735 78 2HB SER 11 HB1 SER 11 16.544 1.716 21.572 79 HG SER 11 HG SER 11 14.443 0.811 21.373 80 HA PRO 12 HA PRO 12 18.793 -2.358 23.393 81 1HB PRO 12 HB2 PRO 12 17.050 -4.091 21.761 82 2HB PRO 12 HB1 PRO 12 17.879 -4.443 23.279 83 1HG PRO 12 HG2 PRO 12 15.222 -4.121 23.182 84 2HG PRO 12 HG1 PRO 12 16.175 -3.562 24.568 85 1HD PRO 12 HD2 PRO 12 15.049 -1.986 22.282 86 2HD PRO 12 HD1 PRO 12 15.103 -1.582 24.012 87 H THR 13 HN THR 13 19.798 -3.740 21.521 88 HA THR 13 HA THR 13 20.419 -1.928 19.406 89 HB THR 13 HB THR 13 21.749 -3.932 18.528 90 HG1 THR 13 HG1 THR 13 20.955 -5.704 19.406 91 1HG2 THR 13 2HG2 THR 13 22.768 -2.189 19.940 92 2HG2 THR 13 1HG2 THR 13 22.332 -3.130 21.366 93 3HG2 THR 13 3HG2 THR 13 23.470 -3.788 20.191 94 H PHE 14 HN PHE 14 18.267 -1.642 18.532 95 HA PHE 14 HA PHE 14 17.824 -3.216 16.209 96 1HB PHE 14 HB2 PHE 14 16.796 -4.594 18.146 97 2HB PHE 14 HB1 PHE 14 15.542 -3.359 18.171 98 HD1 PHE 14 HD1 PHE 14 13.960 -3.156 16.354 99 HD2 PHE 14 HD2 PHE 14 17.002 -6.132 16.292 100 HE1 PHE 14 HE1 PHE 14 12.778 -4.321 14.540 101 HE2 PHE 14 HE2 PHE 14 15.826 -7.302 14.477 102 HZ PHE 14 HZ PHE 14 13.710 -6.397 13.597 103 H LEU 15 HN LEU 15 15.741 -1.350 18.444 104 HA LEU 15 HA LEU 15 14.442 0.107 16.414 105 1HB LEU 15 HB2 LEU 15 14.642 0.267 19.365 106 2HB LEU 15 HB1 LEU 15 14.170 1.743 18.546 107 HG LEU 15 HG LEU 15 12.223 0.467 19.300 108 1HD1 LEU 15 3HD1 LEU 15 12.165 1.853 17.217 109 2HD1 LEU 15 2HD1 LEU 15 12.405 0.369 16.297 110 3HD1 LEU 15 1HD1 LEU 15 10.960 0.568 17.286 111 1HD2 LEU 15 3HD2 LEU 15 13.350 -1.772 19.078 112 2HD2 LEU 15 2HD2 LEU 15 11.691 -1.698 18.485 113 3HD2 LEU 15 1HD2 LEU 15 13.038 -1.673 17.345 114 H THR 16 HN THR 16 17.034 1.105 18.656 115 HA THR 16 HA THR 16 17.466 3.659 17.608 116 HB THR 16 HB THR 16 19.597 1.881 18.805 117 HG1 THR 16 HG1 THR 16 17.610 3.435 20.102 118 1HG2 THR 16 2HG2 THR 16 19.242 4.866 18.789 119 2HG2 THR 16 1HG2 THR 16 20.418 4.002 19.779 120 3HG2 THR 16 3HG2 THR 16 20.528 3.937 18.021 121 H GLN 17 HN GLN 17 18.775 0.524 16.633 122 HA GLN 17 HA GLN 17 20.738 1.445 14.848 123 1HB GLN 17 HB2 GLN 17 19.505 -1.086 15.528 124 2HB GLN 17 HB1 GLN 17 19.791 -0.970 13.798 125 1HG GLN 17 HG2 GLN 17 21.659 -2.015 14.964 126 2HG GLN 17 HG1 GLN 17 22.134 -0.509 14.182 127 1HE2 GLN 17 1HE2 GLN 17 21.369 -2.019 17.255 128 2HE2 GLN 17 2HE2 GLN 17 22.198 -0.868 18.241 129 H VAL 18 HN VAL 18 17.345 0.544 14.292 130 HA VAL 18 HA VAL 18 16.887 0.547 11.696 131 HB VAL 18 HB VAL 18 15.343 2.283 13.627 132 1HG1 VAL 18 2HG1 VAL 18 14.719 1.403 10.823 133 2HG1 VAL 18 1HG1 VAL 18 13.457 1.854 11.969 134 3HG1 VAL 18 3HG1 VAL 18 14.683 3.031 11.500 135 1HG2 VAL 18 1HG2 VAL 18 15.399 -0.608 13.026 136 2HG2 VAL 18 3HG2 VAL 18 14.981 0.236 14.518 137 3HG2 VAL 18 2HG2 VAL 18 13.804 0.119 13.211 138 H LYS 19 HN LYS 19 17.219 3.678 13.391 139 HA LYS 19 HA LYS 19 17.025 5.365 11.219 140 1HB LYS 19 HB2 LYS 19 18.554 5.605 13.797 141 2HB LYS 19 HB1 LYS 19 18.574 6.895 12.603 142 1HG LYS 19 HG2 LYS 19 16.809 7.658 13.748 143 2HG LYS 19 HG1 LYS 19 15.915 6.457 12.815 144 1HD LYS 19 HD2 LYS 19 17.133 5.297 15.178 145 2HD LYS 19 HD1 LYS 19 16.067 6.642 15.586 146 1HE LYS 19 HE2 LYS 19 15.190 4.487 13.693 147 2HE LYS 19 HE1 LYS 19 15.066 4.270 15.438 148 1HZ LYS 19 HZ2 LYS 19 13.716 6.290 15.538 149 2HZ LYS 19 HZ1 LYS 19 13.801 6.441 13.855 150 3HZ LYS 19 HZ3 LYS 19 13.008 5.116 14.546 151 H GLU 20 HN GLU 20 20.057 4.099 12.608 152 HA GLU 20 HA GLU 20 21.734 5.150 10.599 153 1HB GLU 20 HB2 GLU 20 22.160 2.796 12.446 154 2HB GLU 20 HB1 GLU 20 23.415 3.523 11.454 155 1HG GLU 20 HG2 GLU 20 23.830 4.592 13.407 156 2HG GLU 20 HG1 GLU 20 22.654 5.712 12.722 157 H SER 21 HN SER 21 19.812 2.267 10.780 158 HA SER 21 HA SER 21 21.070 0.733 8.780 159 1HB SER 21 HB2 SER 21 19.206 0.067 10.477 160 2HB SER 21 HB1 SER 21 18.100 0.640 9.230 161 HG SER 21 HG SER 21 18.642 -0.999 7.969 162 H LEU 22 HN LEU 22 18.379 3.050 8.619 163 HA LEU 22 HA LEU 22 17.999 2.794 5.807 164 1HB LEU 22 HB2 LEU 22 17.033 4.657 7.930 165 2HB LEU 22 HB1 LEU 22 16.853 5.137 6.254 166 HG LEU 22 HG LEU 22 15.719 2.809 5.966 167 1HD1 LEU 22 2HD1 LEU 22 15.450 3.244 8.937 168 2HD1 LEU 22 1HD1 LEU 22 14.529 2.075 7.990 169 3HD1 LEU 22 3HD1 LEU 22 16.278 1.907 8.139 170 1HD2 LEU 22 1HD2 LEU 22 14.585 4.950 5.702 171 2HD2 LEU 22 3HD2 LEU 22 13.555 3.790 6.542 172 3HD2 LEU 22 2HD2 LEU 22 14.372 5.063 7.449 173 H SER 23 HN SER 23 19.803 5.050 7.861 174 HA SER 23 HA SER 23 20.536 6.899 5.896 175 1HB SER 23 HB2 SER 23 22.118 6.067 8.341 176 2HB SER 23 HB1 SER 23 22.357 7.547 7.414 177 HG SER 23 HG SER 23 20.428 6.918 9.280 178 H SER 24 HN SER 24 22.347 4.079 7.106 179 HA SER 24 HA SER 24 24.475 4.293 5.261 180 1HB SER 24 HB2 SER 24 23.446 1.854 6.737 181 2HB SER 24 HB1 SER 24 25.002 1.965 5.914 182 HG SER 24 HG SER 24 24.178 3.064 8.326 183 H TYR 25 HN TYR 25 21.238 3.195 4.900 184 HA TYR 25 HA TYR 25 21.706 1.419 2.693 185 1HB TYR 25 HB2 TYR 25 19.576 1.890 4.392 186 2HB TYR 25 HB1 TYR 25 19.021 2.568 2.865 187 HD1 TYR 25 HD1 TYR 25 19.598 -0.435 4.747 188 HD2 TYR 25 HD2 TYR 25 19.038 1.082 0.811 189 HE1 TYR 25 HE1 TYR 25 19.027 -2.695 3.962 190 HE2 TYR 25 HE2 TYR 25 18.465 -1.172 0.016 191 HH TYR 25 HH TYR 25 19.185 -3.776 1.190 192 H TRP 26 HN TRP 26 20.634 4.784 3.057 193 HA TRP 26 HA TRP 26 20.112 5.276 0.333 194 1HB TRP 26 HB2 TRP 26 19.360 6.712 2.249 195 2HB TRP 26 HB1 TRP 26 21.014 7.299 2.392 196 HD1 TRP 26 HD1 TRP 26 17.846 7.775 0.401 197 HE1 TRP 26 HE1 TRP 26 18.173 9.688 -1.289 198 HE3 TRP 26 HE3 TRP 26 22.897 8.427 0.872 199 HZ2 TRP 26 HZ2 TRP 26 20.290 11.263 -2.291 200 HZ3 TRP 26 HZ3 TRP 26 23.995 10.157 -0.488 201 HH2 TRP 26 HH2 TRP 26 22.718 11.545 -2.037 202 H GLU 27 HN GLU 27 23.043 5.498 2.259 203 HA GLU 27 HA GLU 27 24.794 6.929 0.776 204 1HB GLU 27 HB2 GLU 27 25.372 5.778 2.879 205 2HB GLU 27 HB1 GLU 27 25.376 4.238 2.032 206 1HG GLU 27 HG2 GLU 27 27.137 6.374 0.979 207 2HG GLU 27 HG1 GLU 27 27.589 5.623 2.508 208 H SER 28 HN SER 28 24.325 3.425 0.323 209 HA SER 28 HA SER 28 25.542 3.570 -2.312 210 1HB SER 28 HB2 SER 28 24.586 1.265 -0.611 211 2HB SER 28 HB1 SER 28 25.179 1.056 -2.259 212 HG SER 28 HG SER 28 27.175 1.647 -1.634 213 H ALA 29 HN ALA 29 22.431 3.909 -1.040 214 HA ALA 29 HA ALA 29 20.843 2.520 -2.896 215 1HB ALA 29 HB3 ALA 29 19.925 3.459 -0.848 216 2HB ALA 29 HB2 ALA 29 20.209 5.090 -1.455 217 3HB ALA 29 HB1 ALA 29 19.041 4.042 -2.257 218 H LYS 30 HN LYS 30 22.578 5.545 -3.188 219 HA LYS 30 HA LYS 30 21.229 6.760 -5.273 220 1HB LYS 30 HB2 LYS 30 23.199 7.675 -3.974 221 2HB LYS 30 HB1 LYS 30 24.235 6.706 -5.011 222 1HG LYS 30 HG2 LYS 30 22.337 8.414 -6.449 223 2HG LYS 30 HG1 LYS 30 23.530 9.284 -5.482 224 1HD LYS 30 HD2 LYS 30 24.465 7.047 -7.212 225 2HD LYS 30 HD1 LYS 30 24.026 8.574 -7.979 226 1HE LYS 30 HE2 LYS 30 26.285 8.857 -7.570 227 2HE LYS 30 HE1 LYS 30 25.549 9.636 -6.172 228 1HZ LYS 30 HZ3 LYS 30 26.396 6.802 -6.102 229 2HZ LYS 30 HZ2 LYS 30 27.473 8.056 -5.753 230 3HZ LYS 30 HZ1 LYS 30 26.092 7.842 -4.802 231 H THR 31 HN THR 31 23.890 4.406 -5.540 232 HA THR 31 HA THR 31 24.098 4.212 -8.281 233 HB THR 31 HB THR 31 24.191 1.815 -6.441 234 HG1 THR 31 HG1 THR 31 25.666 2.894 -5.417 235 1HG2 THR 31 1HG2 THR 31 25.748 2.485 -8.926 236 2HG2 THR 31 3HG2 THR 31 26.010 1.077 -7.897 237 3HG2 THR 31 2HG2 THR 31 24.490 1.257 -8.774 238 H ALA 32 HN ALA 32 21.757 2.744 -6.104 239 HA ALA 32 HA ALA 32 20.439 1.112 -7.993 240 1HB ALA 32 HB1 ALA 32 18.914 2.340 -5.745 241 2HB ALA 32 HB3 ALA 32 18.891 0.685 -6.352 242 3HB ALA 32 HB2 ALA 32 20.246 1.245 -5.372 243 H ALA 33 HN ALA 33 19.872 4.460 -6.921 244 HA ALA 33 HA ALA 33 17.541 5.042 -8.262 245 1HB ALA 33 HB3 ALA 33 18.892 6.537 -6.701 246 2HB ALA 33 HB2 ALA 33 19.807 7.006 -8.134 247 3HB ALA 33 HB1 ALA 33 18.074 7.321 -8.052 248 H GLN 34 HN GLN 34 20.835 5.460 -9.559 249 HA GLN 34 HA GLN 34 19.975 6.185 -12.153 250 1HB GLN 34 HB2 GLN 34 22.590 4.967 -11.236 251 2HB GLN 34 HB1 GLN 34 22.309 5.625 -12.841 252 1HG GLN 34 HG2 GLN 34 22.722 7.689 -12.154 253 2HG GLN 34 HG1 GLN 34 21.592 7.538 -10.811 254 1HE2 GLN 34 1HE2 GLN 34 24.462 8.591 -11.244 255 2HE2 GLN 34 2HE2 GLN 34 25.320 7.947 -9.890 256 H ASN 35 HN ASN 35 20.728 3.109 -10.615 257 HA ASN 35 HA ASN 35 20.644 1.494 -12.926 258 1HB ASN 35 HB2 ASN 35 21.493 0.818 -10.630 259 2HB ASN 35 HB1 ASN 35 19.809 0.609 -10.163 260 1HD2 ASN 35 1HD2 ASN 35 22.150 -0.389 -12.632 261 2HD2 ASN 35 2HD2 ASN 35 21.526 -1.989 -12.819 262 H LEU 36 HN LEU 36 18.154 2.903 -10.996 263 HA LEU 36 HA LEU 36 15.951 1.313 -11.656 264 1HB LEU 36 HB2 LEU 36 16.193 3.393 -10.048 265 2HB LEU 36 HB1 LEU 36 15.686 4.292 -11.465 266 HG LEU 36 HG LEU 36 14.042 1.955 -10.598 267 1HD1 LEU 36 2HD1 LEU 36 13.959 4.679 -9.306 268 2HD1 LEU 36 1HD1 LEU 36 12.765 3.399 -9.086 269 3HD1 LEU 36 3HD1 LEU 36 14.422 3.166 -8.527 270 1HD2 LEU 36 1HD2 LEU 36 13.410 4.636 -11.830 271 2HD2 LEU 36 3HD2 LEU 36 13.493 3.089 -12.674 272 3HD2 LEU 36 2HD2 LEU 36 12.234 3.372 -11.472 273 H TYR 37 HN TYR 37 17.414 4.112 -13.194 274 HA TYR 37 HA TYR 37 15.685 4.248 -15.434 275 1HB TYR 37 HB2 TYR 37 17.581 5.897 -14.496 276 2HB TYR 37 HB1 TYR 37 18.533 5.074 -15.726 277 HD1 TYR 37 HD1 TYR 37 16.060 7.597 -15.077 278 HD2 TYR 37 HD2 TYR 37 17.703 5.119 -18.122 279 HE1 TYR 37 HE1 TYR 37 15.110 9.082 -16.792 280 HE2 TYR 37 HE2 TYR 37 16.757 6.598 -19.843 281 HH TYR 37 HH TYR 37 15.981 9.448 -19.598 282 H GLU 38 HN GLU 38 18.709 2.562 -14.754 283 HA GLU 38 HA GLU 38 19.261 1.574 -17.312 284 1HB GLU 38 HB2 GLU 38 20.033 0.818 -14.554 285 2HB GLU 38 HB1 GLU 38 20.243 -0.418 -15.785 286 1HG GLU 38 HG2 GLU 38 22.292 0.645 -15.744 287 2HG GLU 38 HG1 GLU 38 21.475 1.404 -17.110 288 H LYS 39 HN LYS 39 17.548 -0.059 -14.664 289 HA LYS 39 HA LYS 39 16.854 -2.367 -16.087 290 1HB LYS 39 HB2 LYS 39 15.672 -1.042 -13.658 291 2HB LYS 39 HB1 LYS 39 15.023 -2.544 -14.303 292 1HG LYS 39 HG2 LYS 39 17.515 -3.336 -14.136 293 2HG LYS 39 HG1 LYS 39 17.630 -2.024 -12.964 294 1HD LYS 39 HD2 LYS 39 16.963 -3.628 -11.519 295 2HD LYS 39 HD1 LYS 39 15.360 -3.202 -12.120 296 1HE LYS 39 HE2 LYS 39 17.019 -5.324 -13.444 297 2HE LYS 39 HE1 LYS 39 16.017 -5.687 -12.041 298 1HZ LYS 39 HZ3 LYS 39 14.133 -4.670 -13.361 299 2HZ LYS 39 HZ2 LYS 39 15.147 -4.754 -14.712 300 3HZ LYS 39 HZ1 LYS 39 14.703 -6.169 -13.901 301 H THR 40 HN THR 40 15.660 0.799 -16.496 302 HA THR 40 HA THR 40 12.965 0.196 -17.168 303 HB THR 40 HB THR 40 14.644 2.502 -18.168 304 HG1 THR 40 HG1 THR 40 14.065 3.566 -16.356 305 1HG2 THR 40 2HG2 THR 40 11.663 2.229 -17.872 306 2HG2 THR 40 1HG2 THR 40 12.520 3.718 -18.275 307 3HG2 THR 40 3HG2 THR 40 12.566 2.346 -19.382 308 H TYR 41 HN TYR 41 15.791 0.859 -19.198 309 HA TYR 41 HA TYR 41 14.557 0.159 -21.646 310 1HB TYR 41 HB2 TYR 41 16.637 1.567 -21.354 311 2HB TYR 41 HB1 TYR 41 17.519 0.073 -21.055 312 HD1 TYR 41 HD1 TYR 41 15.581 1.945 -23.588 313 HD2 TYR 41 HD2 TYR 41 18.196 -1.329 -22.851 314 HE1 TYR 41 HE1 TYR 41 15.898 1.661 -26.009 315 HE2 TYR 41 HE2 TYR 41 18.522 -1.622 -25.270 316 HH TYR 41 HH TYR 41 18.146 0.383 -27.434 317 H LEU 42 HN LEU 42 16.437 -1.704 -19.303 318 HA LEU 42 HA LEU 42 16.708 -4.024 -20.939 319 1HB LEU 42 HB2 LEU 42 16.913 -3.769 -17.939 320 2HB LEU 42 HB1 LEU 42 17.474 -5.128 -18.893 321 HG LEU 42 HG LEU 42 18.560 -2.372 -19.380 322 1HD1 LEU 42 2HD1 LEU 42 18.792 -2.855 -16.973 323 2HD1 LEU 42 1HD1 LEU 42 19.639 -4.347 -17.377 324 3HD1 LEU 42 3HD1 LEU 42 20.341 -2.788 -17.811 325 1HD2 LEU 42 3HD2 LEU 42 19.024 -4.114 -21.030 326 2HD2 LEU 42 2HD2 LEU 42 20.492 -3.623 -20.187 327 3HD2 LEU 42 1HD2 LEU 42 19.697 -5.140 -19.764 328 HA PRO 43 HA PRO 43 12.726 -5.833 -20.072 329 1HB PRO 43 HB2 PRO 43 12.988 -8.052 -21.515 330 2HB PRO 43 HB1 PRO 43 12.974 -6.466 -22.291 331 1HG PRO 43 HG2 PRO 43 15.270 -8.279 -21.728 332 2HG PRO 43 HG1 PRO 43 15.000 -7.203 -23.109 333 1HD PRO 43 HD2 PRO 43 16.590 -6.662 -20.844 334 2HD PRO 43 HD1 PRO 43 16.079 -5.496 -22.078 335 H ALA 44 HN ALA 44 15.080 -6.382 -18.162 336 HA ALA 44 HA ALA 44 15.039 -9.104 -17.421 337 1HB ALA 44 HB3 ALA 44 15.797 -6.654 -15.842 338 2HB ALA 44 HB2 ALA 44 16.077 -8.314 -15.313 339 3HB ALA 44 HB1 ALA 44 16.871 -7.705 -16.766 340 H VAL 45 HN VAL 45 12.728 -6.642 -16.930 341 HA VAL 45 HA VAL 45 11.587 -6.967 -14.517 342 HB VAL 45 HB VAL 45 9.332 -6.632 -15.619 343 1HG1 VAL 45 1HG1 VAL 45 10.752 -4.791 -14.842 344 2HG1 VAL 45 3HG1 VAL 45 11.546 -4.746 -16.415 345 3HG1 VAL 45 2HG1 VAL 45 9.832 -4.349 -16.280 346 1HG2 VAL 45 3HG2 VAL 45 11.047 -6.925 -18.056 347 2HG2 VAL 45 2HG2 VAL 45 9.448 -7.591 -17.725 348 3HG2 VAL 45 1HG2 VAL 45 9.631 -5.875 -18.085 349 H ASP 46 HN ASP 46 10.915 -9.112 -17.294 350 HA ASP 46 HA ASP 46 9.308 -10.867 -15.664 351 1HB ASP 46 HB2 ASP 46 10.296 -11.155 -18.507 352 2HB ASP 46 HB1 ASP 46 9.164 -12.251 -17.721 353 H GLU 47 HN GLU 47 12.630 -10.835 -16.881 354 HA GLU 47 HA GLU 47 13.199 -13.564 -16.317 355 1HB GLU 47 HB2 GLU 47 14.571 -12.208 -17.844 356 2HB GLU 47 HB1 GLU 47 15.102 -11.220 -16.491 357 1HG GLU 47 HG2 GLU 47 16.793 -12.848 -17.129 358 2HG GLU 47 HG1 GLU 47 16.206 -13.137 -15.493 359 H LYS 48 HN LYS 48 14.189 -10.621 -14.545 360 HA LYS 48 HA LYS 48 15.283 -11.882 -12.319 361 1HB LYS 48 HB2 LYS 48 15.167 -9.343 -13.074 362 2HB LYS 48 HB1 LYS 48 13.824 -9.308 -11.940 363 1HG LYS 48 HG2 LYS 48 15.163 -9.463 -10.144 364 2HG LYS 48 HG1 LYS 48 16.277 -10.578 -10.935 365 1HD LYS 48 HD2 LYS 48 16.149 -7.674 -11.694 366 2HD LYS 48 HD1 LYS 48 17.141 -8.235 -10.346 367 1HE LYS 48 HE2 LYS 48 18.699 -9.095 -11.706 368 2HE LYS 48 HE1 LYS 48 17.495 -9.816 -12.772 369 1HZ LYS 48 HZ2 LYS 48 17.158 -7.510 -13.679 370 2HZ LYS 48 HZ1 LYS 48 18.545 -7.045 -12.831 371 3HZ LYS 48 HZ3 LYS 48 18.647 -8.224 -14.041 372 H LEU 49 HN LEU 49 11.933 -11.300 -13.127 373 HA LEU 49 HA LEU 49 10.805 -11.603 -10.558 374 1HB LEU 49 HB2 LEU 49 9.848 -11.163 -13.155 375 2HB LEU 49 HB1 LEU 49 9.129 -12.684 -12.667 376 HG LEU 49 HG LEU 49 7.638 -10.834 -12.165 377 1HD1 LEU 49 2HD1 LEU 49 7.725 -12.812 -10.663 378 2HD1 LEU 49 1HD1 LEU 49 8.811 -11.910 -9.607 379 3HD1 LEU 49 3HD1 LEU 49 7.163 -11.339 -9.873 380 1HD2 LEU 49 2HD2 LEU 49 9.399 -9.109 -11.913 381 2HD2 LEU 49 1HD2 LEU 49 8.210 -9.088 -10.612 382 3HD2 LEU 49 3HD2 LEU 49 9.802 -9.796 -10.340 383 H ARG 50 HN ARG 50 10.939 -13.945 -13.247 384 HA ARG 50 HA ARG 50 10.257 -16.190 -11.678 385 1HB ARG 50 HB2 ARG 50 10.452 -15.768 -14.331 386 2HB ARG 50 HB1 ARG 50 11.980 -16.594 -14.064 387 1HG ARG 50 HG2 ARG 50 10.214 -18.178 -12.698 388 2HG ARG 50 HG1 ARG 50 9.258 -17.637 -14.078 389 1HD ARG 50 HD2 ARG 50 10.305 -19.614 -14.795 390 2HD ARG 50 HD1 ARG 50 11.238 -18.307 -15.521 391 HE ARG 50 HE ARG 50 13.046 -18.930 -14.258 392 1HH1 ARG 50 1HH1 ARG 50 10.194 -20.504 -12.969 393 2HH1 ARG 50 2HH1 ARG 50 11.094 -21.541 -11.916 394 1HH2 ARG 50 1HH2 ARG 50 14.223 -20.301 -12.868 395 2HH2 ARG 50 2HH2 ARG 50 13.381 -21.427 -11.860 396 H ASP 51 HN ASP 51 13.290 -14.582 -12.389 397 HA ASP 51 HA ASP 51 15.118 -16.555 -11.646 398 1HB ASP 51 HB2 ASP 51 15.220 -13.807 -12.288 399 2HB ASP 51 HB1 ASP 51 16.013 -13.971 -10.726 400 H LEU 52 HN LEU 52 13.670 -14.001 -9.632 401 HA LEU 52 HA LEU 52 14.794 -15.014 -7.206 402 1HB LEU 52 HB2 LEU 52 12.571 -13.028 -7.677 403 2HB LEU 52 HB1 LEU 52 13.297 -13.360 -6.116 404 HG LEU 52 HG LEU 52 15.019 -12.452 -8.394 405 1HD1 LEU 52 1HD1 LEU 52 13.149 -10.870 -8.288 406 2HD1 LEU 52 3HD1 LEU 52 13.460 -10.629 -6.569 407 3HD1 LEU 52 2HD1 LEU 52 14.665 -10.140 -7.760 408 1HD2 LEU 52 3HD2 LEU 52 15.167 -12.112 -5.400 409 2HD2 LEU 52 2HD2 LEU 52 16.100 -13.254 -6.367 410 3HD2 LEU 52 1HD2 LEU 52 16.354 -11.520 -6.563 411 H TYR 53 HN TYR 53 11.981 -15.778 -9.048 412 HA TYR 53 HA TYR 53 10.317 -16.727 -6.960 413 1HB TYR 53 HB2 TYR 53 10.229 -16.592 -9.828 414 2HB TYR 53 HB1 TYR 53 9.759 -18.206 -9.309 415 HD1 TYR 53 HD1 TYR 53 7.817 -18.492 -7.781 416 HD2 TYR 53 HD2 TYR 53 8.802 -14.714 -9.473 417 HE1 TYR 53 HE1 TYR 53 5.568 -17.665 -7.230 418 HE2 TYR 53 HE2 TYR 53 6.558 -13.876 -8.924 419 HH TYR 53 HH TYR 53 4.667 -14.894 -6.846 420 H SER 54 HN SER 54 12.741 -18.300 -9.026 421 HA SER 54 HA SER 54 12.300 -20.941 -8.169 422 1HB SER 54 HB2 SER 54 14.534 -21.427 -9.048 423 2HB SER 54 HB1 SER 54 13.662 -20.369 -10.154 424 HG SER 54 HG SER 54 14.961 -18.727 -9.643 425 H LYS 55 HN LYS 55 14.611 -18.486 -7.012 426 HA LYS 55 HA LYS 55 15.745 -20.032 -4.950 427 1HB LYS 55 HB2 LYS 55 15.420 -17.025 -5.039 428 2HB LYS 55 HB1 LYS 55 16.554 -17.916 -4.034 429 1HG LYS 55 HG2 LYS 55 18.034 -18.157 -5.700 430 2HG LYS 55 HG1 LYS 55 16.782 -18.465 -6.907 431 1HD LYS 55 HD2 LYS 55 16.250 -15.980 -6.752 432 2HD LYS 55 HD1 LYS 55 17.767 -15.819 -5.869 433 1HE LYS 55 HE2 LYS 55 19.026 -16.598 -7.732 434 2HE LYS 55 HE1 LYS 55 17.567 -17.089 -8.592 435 1HZ LYS 55 HZ2 LYS 55 18.267 -14.285 -7.904 436 2HZ LYS 55 HZ1 LYS 55 18.496 -14.995 -9.422 437 3HZ LYS 55 HZ3 LYS 55 16.932 -14.790 -8.810 438 H SER 56 HN SER 56 12.998 -17.795 -4.986 439 HA SER 56 HA SER 56 12.430 -17.828 -2.239 440 1HB SER 56 HB2 SER 56 10.793 -17.197 -4.676 441 2HB SER 56 HB1 SER 56 10.067 -17.175 -3.069 442 HG SER 56 HG SER 56 11.988 -15.487 -4.188 443 H THR 57 HN THR 57 11.911 -20.334 -4.564 444 HA THR 57 HA THR 57 9.588 -21.520 -3.588 445 HB THR 57 HB THR 57 12.003 -22.939 -4.731 446 HG1 THR 57 HG1 THR 57 11.407 -22.223 -6.610 447 1HG2 THR 57 2HG2 THR 57 9.105 -23.737 -4.627 448 2HG2 THR 57 1HG2 THR 57 10.334 -24.536 -5.608 449 3HG2 THR 57 3HG2 THR 57 10.464 -24.547 -3.850 450 H ALA 58 HN ALA 58 12.970 -22.341 -2.749 451 HA ALA 58 HA ALA 58 12.047 -23.881 -0.461 452 1HB ALA 58 HB3 ALA 58 13.854 -24.779 -1.829 453 2HB ALA 58 HB2 ALA 58 14.846 -23.370 -1.457 454 3HB ALA 58 HB1 ALA 58 14.393 -24.492 -0.174 455 H ALA 59 HN ALA 59 13.937 -20.948 -1.096 456 HA ALA 59 HA ALA 59 14.650 -20.371 1.557 457 1HB ALA 59 HB3 ALA 59 15.163 -18.136 0.768 458 2HB ALA 59 HB1 ALA 59 14.252 -18.429 -0.713 459 3HB ALA 59 HB2 ALA 59 15.725 -19.343 -0.388 460 H MET 60 HN MET 60 12.101 -18.767 -0.380 461 HA MET 60 HA MET 60 11.007 -17.323 1.757 462 1HB MET 60 HB2 MET 60 10.650 -17.247 -0.898 463 2HB MET 60 HB1 MET 60 9.187 -18.112 -0.446 464 1HG MET 60 HG2 MET 60 8.882 -16.207 1.274 465 2HG MET 60 HG1 MET 60 10.038 -15.339 0.264 466 1HE MET 60 HE2 MET 60 6.642 -17.359 0.174 467 2HE MET 60 HE1 MET 60 6.466 -15.808 0.993 468 3HE MET 60 HE3 MET 60 5.640 -16.094 -0.538 469 H SER 61 HN SER 61 10.353 -20.613 0.679 470 HA SER 61 HA SER 61 7.900 -20.937 2.059 471 1HB SER 61 HB2 SER 61 8.178 -23.314 1.683 472 2HB SER 61 HB1 SER 61 8.670 -22.438 0.236 473 HG SER 61 HG SER 61 10.181 -23.943 2.005 474 H THR 62 HN THR 62 11.073 -20.654 3.250 475 HA THR 62 HA THR 62 10.562 -22.203 5.664 476 HB THR 62 HB THR 62 12.991 -20.538 4.961 477 HG1 THR 62 HG1 THR 62 13.160 -22.066 3.497 478 1HG2 THR 62 2HG2 THR 62 12.601 -22.735 6.977 479 2HG2 THR 62 1HG2 THR 62 14.160 -22.048 6.520 480 3HG2 THR 62 3HG2 THR 62 12.947 -21.037 7.307 481 H TYR 63 HN TYR 63 11.425 -18.862 4.794 482 HA TYR 63 HA TYR 63 10.971 -17.761 7.342 483 1HB TYR 63 HB2 TYR 63 10.826 -16.317 4.688 484 2HB TYR 63 HB1 TYR 63 11.139 -15.604 6.267 485 HD1 TYR 63 HD1 TYR 63 13.261 -16.645 7.512 486 HD2 TYR 63 HD2 TYR 63 12.628 -16.704 3.304 487 HE1 TYR 63 HE1 TYR 63 15.677 -16.932 7.158 488 HE2 TYR 63 HE2 TYR 63 15.042 -16.991 2.940 489 HH TYR 63 HH TYR 63 17.072 -18.075 4.824 490 H THR 64 HN THR 64 8.852 -18.670 4.753 491 HA THR 64 HA THR 64 6.694 -16.956 5.456 492 HB THR 64 HB THR 64 6.901 -19.454 3.796 493 HG1 THR 64 HG1 THR 64 6.214 -16.760 3.228 494 1HG2 THR 64 2HG2 THR 64 4.373 -18.031 4.561 495 2HG2 THR 64 1HG2 THR 64 4.527 -18.963 3.072 496 3HG2 THR 64 3HG2 THR 64 4.731 -19.757 4.635 497 H GLY 65 HN GLY 65 7.119 -20.457 5.945 498 1HA GLY 65 HA1 GLY 65 6.345 -21.841 7.609 499 2HA GLY 65 HA2 GLY 65 4.975 -20.745 7.750 500 H ILE 66 HN ILE 66 8.395 -20.002 8.230 501 HA ILE 66 HA ILE 66 8.412 -20.128 11.055 502 HB ILE 66 HB ILE 66 10.196 -18.706 9.087 503 1HG1 ILE 66 2HG1 ILE 66 10.302 -21.185 9.228 504 2HG1 ILE 66 1HG1 ILE 66 11.809 -20.411 9.703 505 1HG2 ILE 66 2HG2 ILE 66 10.274 -18.625 12.083 506 2HG2 ILE 66 1HG2 ILE 66 11.743 -18.450 11.122 507 3HG2 ILE 66 3HG2 ILE 66 10.421 -17.298 10.930 508 1HD1 ILE 66 1HD1 ILE 66 11.217 -20.736 12.057 509 2HD1 ILE 66 3HD1 ILE 66 9.727 -21.539 11.561 510 3HD1 ILE 66 2HD1 ILE 66 11.288 -22.259 11.170 511 H PHE 67 HN PHE 67 8.308 -17.292 8.888 512 HA PHE 67 HA PHE 67 7.951 -15.308 10.782 513 1HB PHE 67 HB2 PHE 67 8.326 -14.747 8.458 514 2HB PHE 67 HB1 PHE 67 6.791 -15.470 7.992 515 HD1 PHE 67 HD1 PHE 67 8.329 -12.671 9.850 516 HD2 PHE 67 HD2 PHE 67 4.785 -14.242 8.095 517 HE1 PHE 67 HE1 PHE 67 7.221 -10.495 10.150 518 HE2 PHE 67 HE2 PHE 67 3.671 -12.070 8.391 519 HZ PHE 67 HZ PHE 67 4.889 -10.192 9.419 520 H THR 68 HN THR 68 5.353 -16.988 9.006 521 HA THR 68 HA THR 68 3.246 -15.842 10.481 522 HB THR 68 HB THR 68 1.823 -17.575 9.483 523 HG1 THR 68 HG1 THR 68 4.227 -18.680 8.461 524 1HG2 THR 68 2HG2 THR 68 3.838 -16.446 7.557 525 2HG2 THR 68 1HG2 THR 68 2.323 -17.220 7.094 526 3HG2 THR 68 3HG2 THR 68 2.299 -15.728 8.034 527 H ASP 69 HN ASP 69 5.390 -18.427 11.205 528 HA ASP 69 HA ASP 69 3.832 -19.972 12.942 529 1HB ASP 69 HB2 ASP 69 6.531 -19.903 12.188 530 2HB ASP 69 HB1 ASP 69 6.542 -19.700 13.936 531 H GLN 70 HN GLN 70 6.011 -17.267 13.757 532 HA GLN 70 HA GLN 70 5.182 -17.134 16.477 533 1HB GLN 70 HB2 GLN 70 6.669 -15.173 14.726 534 2HB GLN 70 HB1 GLN 70 6.367 -14.904 16.435 535 1HG GLN 70 HG2 GLN 70 8.498 -15.760 16.445 536 2HG GLN 70 HG1 GLN 70 7.524 -17.196 16.755 537 1HE2 GLN 70 1HE2 GLN 70 8.682 -15.361 13.927 538 2HE2 GLN 70 2HE2 GLN 70 9.204 -16.746 13.038 539 H VAL 71 HN VAL 71 3.981 -15.745 13.527 540 HA VAL 71 HA VAL 71 2.478 -13.614 14.659 541 HB VAL 71 HB VAL 71 2.072 -15.098 12.048 542 1HG1 VAL 71 3HG1 VAL 71 0.789 -12.605 13.137 543 2HG1 VAL 71 2HG1 VAL 71 0.826 -12.983 11.416 544 3HG1 VAL 71 1HG1 VAL 71 0.006 -14.067 12.539 545 1HG2 VAL 71 1HG2 VAL 71 4.207 -13.610 12.659 546 2HG2 VAL 71 3HG2 VAL 71 3.504 -13.652 11.043 547 3HG2 VAL 71 2HG2 VAL 71 3.114 -12.328 12.140 548 H LEU 72 HN LEU 72 1.609 -16.855 13.519 549 HA LEU 72 HA LEU 72 -1.065 -16.866 14.346 550 1HB LEU 72 HB2 LEU 72 0.952 -18.896 13.605 551 2HB LEU 72 HB1 LEU 72 -0.334 -19.474 14.644 552 HG LEU 72 HG LEU 72 -1.916 -18.380 12.890 553 1HD1 LEU 72 1HD1 LEU 72 -0.101 -17.228 11.674 554 2HD1 LEU 72 3HD1 LEU 72 0.547 -18.801 11.206 555 3HD1 LEU 72 2HD1 LEU 72 -1.048 -18.302 10.644 556 1HD2 LEU 72 2HD2 LEU 72 -1.750 -20.779 13.336 557 2HD2 LEU 72 1HD2 LEU 72 -1.948 -20.455 11.613 558 3HD2 LEU 72 3HD2 LEU 72 -0.362 -20.884 12.254 559 H SER 73 HN SER 73 1.962 -17.529 16.003 560 HA SER 73 HA SER 73 0.950 -18.629 18.368 561 1HB SER 73 HB2 SER 73 3.416 -18.355 17.549 562 2HB SER 73 HB1 SER 73 3.342 -16.815 18.406 563 HG SER 73 HG SER 73 3.335 -19.412 19.398 564 H VAL 74 HN VAL 74 1.448 -15.239 17.470 565 HA VAL 74 HA VAL 74 0.627 -14.251 20.028 566 HB VAL 74 HB VAL 74 0.653 -12.053 19.113 567 1HG1 VAL 74 2HG1 VAL 74 2.829 -13.656 19.123 568 2HG1 VAL 74 1HG1 VAL 74 2.851 -13.082 17.456 569 3HG1 VAL 74 3HG1 VAL 74 2.870 -11.926 18.786 570 1HG2 VAL 74 2HG2 VAL 74 -0.448 -13.093 16.855 571 2HG2 VAL 74 1HG2 VAL 74 0.211 -11.464 16.993 572 3HG2 VAL 74 3HG2 VAL 74 1.197 -12.760 16.317 573 H LEU 75 HN LEU 75 -1.071 -15.521 17.357 574 HA LEU 75 HA LEU 75 -3.483 -14.057 17.532 575 1HB LEU 75 HB2 LEU 75 -2.586 -15.814 15.760 576 2HB LEU 75 HB1 LEU 75 -3.501 -16.935 16.750 577 HG LEU 75 HG LEU 75 -4.655 -15.958 14.691 578 1HD1 LEU 75 2HD1 LEU 75 -5.765 -17.147 16.590 579 2HD1 LEU 75 1HD1 LEU 75 -6.097 -15.569 17.301 580 3HD1 LEU 75 3HD1 LEU 75 -6.788 -15.994 15.736 581 1HD2 LEU 75 2HD2 LEU 75 -3.882 -13.611 15.194 582 2HD2 LEU 75 1HD2 LEU 75 -5.595 -13.789 14.812 583 3HD2 LEU 75 3HD2 LEU 75 -5.081 -13.581 16.486 584 H LYS 76 HN LYS 76 -2.236 -16.847 19.206 585 HA LYS 76 HA LYS 76 -4.659 -17.548 20.540 586 1HB LYS 76 HB2 LYS 76 -1.768 -18.240 21.064 587 2HB LYS 76 HB1 LYS 76 -3.083 -18.848 22.058 588 1HG LYS 76 HG2 LYS 76 -2.769 -20.578 20.584 589 2HG LYS 76 HG1 LYS 76 -4.065 -19.674 19.798 590 1HD LYS 76 HD2 LYS 76 -2.617 -18.768 18.199 591 2HD LYS 76 HD1 LYS 76 -1.181 -19.153 19.148 592 1HE LYS 76 HE2 LYS 76 -1.488 -21.511 18.724 593 2HE LYS 76 HE1 LYS 76 -3.006 -21.194 17.885 594 1HZ LYS 76 HZ3 LYS 76 -0.347 -20.209 17.000 595 2HZ LYS 76 HZ2 LYS 76 -1.132 -21.566 16.366 596 3HZ LYS 76 HZ1 LYS 76 -1.812 -20.029 16.172 597 H GLY 77 HN GLY 77 -1.720 -15.810 21.585 598 1HA GLY 77 HA1 GLY 77 -1.352 -14.367 23.334 599 2HA GLY 77 HA2 GLY 77 -2.615 -15.228 24.199 600 H GLU 78 HN GLU 78 -2.812 -13.332 21.195 601 HA GLU 78 HA GLU 78 -4.067 -11.091 22.456 602 1HB GLU 78 HB2 GLU 78 -2.781 -10.674 20.486 603 2HB GLU 78 HB1 GLU 78 -3.674 -11.876 19.569 604 1HG GLU 78 HG2 GLU 78 -5.373 -9.767 20.640 605 2HG GLU 78 HG1 GLU 78 -4.117 -9.169 19.559 606 H GLU 79 HN GLU 79 -5.392 -13.042 19.778 607 HA GLU 79 HA GLU 79 -7.672 -13.995 21.068 608 1HB GLU 79 HB2 GLU 79 -7.868 -11.243 20.710 609 2HB GLU 79 HB1 GLU 79 -8.785 -11.906 19.365 610 1HG GLU 79 HG2 GLU 79 -10.496 -12.334 20.691 611 2HG GLU 79 HG1 GLU 79 -9.479 -13.318 21.743 No H/Q in entry = 611 Start of MODEL 64 1 H1 THR 1 HT2 THR 1 21.768 10.364 47.689 2 H2 THR 1 HT1 THR 1 21.626 11.310 49.114 3 H3 THR 1 HT3 THR 1 20.256 11.054 48.117 4 HA THR 1 HA THR 1 21.002 13.204 47.715 5 HB THR 1 HB THR 1 23.253 12.867 48.671 6 HG1 THR 1 HG1 THR 1 23.177 14.710 47.544 7 1HG2 THR 1 3HG2 THR 1 23.825 10.748 47.551 8 2HG2 THR 1 2HG2 THR 1 23.999 11.631 46.034 9 3HG2 THR 1 1HG2 THR 1 25.074 11.982 47.387 10 H GLN 2 HN GLN 2 20.843 14.118 45.665 11 HA GLN 2 HA GLN 2 20.170 12.281 43.554 12 1HB GLN 2 HB2 GLN 2 19.174 14.671 44.199 13 2HB GLN 2 HB1 GLN 2 20.377 15.208 43.036 14 1HG GLN 2 HG2 GLN 2 18.239 13.161 42.483 15 2HG GLN 2 HG1 GLN 2 18.144 14.868 42.054 16 1HE2 GLN 2 1HE2 GLN 2 18.888 11.862 40.923 17 2HE2 GLN 2 2HE2 GLN 2 19.880 12.300 39.578 18 H GLN 3 HN GLN 3 21.508 11.518 42.061 19 HA GLN 3 HA GLN 3 24.041 12.939 41.577 20 1HB GLN 3 HB2 GLN 3 23.455 10.181 42.116 21 2HB GLN 3 HB1 GLN 3 24.182 10.317 40.522 22 1HG GLN 3 HG2 GLN 3 25.985 9.999 41.952 23 2HG GLN 3 HG1 GLN 3 25.976 11.735 41.648 24 1HE2 GLN 3 1HE2 GLN 3 25.833 9.279 43.995 25 2HE2 GLN 3 2HE2 GLN 3 25.588 10.286 45.376 26 HA PRO 4 HA PRO 4 22.498 13.701 37.477 27 1HB PRO 4 HB2 PRO 4 24.772 14.680 36.387 28 2HB PRO 4 HB1 PRO 4 23.801 15.601 37.541 29 1HG PRO 4 HG2 PRO 4 26.304 14.025 38.003 30 2HG PRO 4 HG1 PRO 4 25.853 15.621 38.632 31 1HD PRO 4 HD2 PRO 4 25.634 13.333 40.088 32 2HD PRO 4 HD1 PRO 4 24.569 14.733 40.316 33 H GLN 5 HN GLN 5 22.217 11.387 37.109 34 HA GLN 5 HA GLN 5 24.342 9.783 36.085 35 1HB GLN 5 HB2 GLN 5 21.344 9.435 36.062 36 2HB GLN 5 HB1 GLN 5 22.457 8.235 35.420 37 1HG GLN 5 HG2 GLN 5 23.527 8.547 37.846 38 2HG GLN 5 HG1 GLN 5 21.856 8.966 38.216 39 1HE2 GLN 5 1HE2 GLN 5 20.215 7.400 37.814 40 2HE2 GLN 5 2HE2 GLN 5 20.600 5.716 37.773 41 H GLN 6 HN GLN 6 24.436 8.854 33.934 42 HA GLN 6 HA GLN 6 24.339 10.828 31.901 43 1HB GLN 6 HB2 GLN 6 25.315 8.108 32.196 44 2HB GLN 6 HB1 GLN 6 24.592 8.365 30.615 45 1HG GLN 6 HG2 GLN 6 26.326 10.554 31.374 46 2HG GLN 6 HG1 GLN 6 27.168 9.004 31.390 47 1HE2 GLN 6 1HE2 GLN 6 27.769 8.116 29.505 48 2HE2 GLN 6 2HE2 GLN 6 27.366 8.741 27.946 49 H ASP 7 HN ASP 7 23.377 10.048 29.637 50 HA ASP 7 HA ASP 7 20.546 10.151 29.942 51 1HB ASP 7 HB2 ASP 7 21.633 11.270 28.070 52 2HB ASP 7 HB1 ASP 7 22.246 9.732 27.472 53 H GLU 8 HN GLU 8 19.008 8.610 29.661 54 HA GLU 8 HA GLU 8 19.743 5.890 30.068 55 1HB GLU 8 HB2 GLU 8 17.321 5.433 29.917 56 2HB GLU 8 HB1 GLU 8 17.686 6.753 31.017 57 1HG GLU 8 HG2 GLU 8 15.972 7.728 29.933 58 2HG GLU 8 HG1 GLU 8 17.243 8.170 28.796 59 H MET 9 HN MET 9 19.364 4.084 28.724 60 HA MET 9 HA MET 9 20.072 4.478 26.000 61 1HB MET 9 HB2 MET 9 19.605 2.191 27.790 62 2HB MET 9 HB1 MET 9 19.206 1.881 26.106 63 1HG MET 9 HG2 MET 9 21.407 1.231 26.220 64 2HG MET 9 HG1 MET 9 21.537 2.881 25.615 65 1HE MET 9 HE3 MET 9 22.602 4.615 26.469 66 2HE MET 9 HE2 MET 9 21.886 5.024 28.028 67 3HE MET 9 HE1 MET 9 23.615 4.700 27.910 68 HA PRO 10 HA PRO 10 16.301 5.004 23.782 69 1HB PRO 10 HB2 PRO 10 17.109 2.621 22.176 70 2HB PRO 10 HB1 PRO 10 16.620 4.231 21.635 71 1HG PRO 10 HG2 PRO 10 19.180 3.512 21.598 72 2HG PRO 10 HG1 PRO 10 18.704 5.155 22.067 73 1HD PRO 10 HD2 PRO 10 19.615 2.883 23.771 74 2HD PRO 10 HD1 PRO 10 19.900 4.624 23.962 75 H SER 11 HN SER 11 14.262 4.385 24.159 76 HA SER 11 HA SER 11 13.719 2.022 25.665 77 1HB SER 11 HB2 SER 11 12.073 4.280 24.595 78 2HB SER 11 HB1 SER 11 11.258 2.817 25.146 79 HG SER 11 HG SER 11 11.458 4.259 26.860 80 HA PRO 12 HA PRO 12 11.448 0.494 21.703 81 1HB PRO 12 HB2 PRO 12 11.788 1.840 19.381 82 2HB PRO 12 HB1 PRO 12 10.524 2.255 20.545 83 1HG PRO 12 HG2 PRO 12 13.188 3.541 20.103 84 2HG PRO 12 HG1 PRO 12 11.613 4.300 20.391 85 1HD PRO 12 HD2 PRO 12 13.490 3.990 22.333 86 2HD PRO 12 HD1 PRO 12 11.748 4.011 22.664 87 H THR 13 HN THR 13 12.830 -1.234 21.686 88 HA THR 13 HA THR 13 15.504 -1.096 20.701 89 HB THR 13 HB THR 13 14.908 -2.745 22.385 90 HG1 THR 13 HG1 THR 13 16.566 -3.529 21.269 91 1HG2 THR 13 1HG2 THR 13 12.680 -3.303 20.708 92 2HG2 THR 13 3HG2 THR 13 13.638 -4.772 20.898 93 3HG2 THR 13 2HG2 THR 13 13.042 -3.918 22.320 94 H PHE 14 HN PHE 14 16.345 -1.649 18.749 95 HA PHE 14 HA PHE 14 16.487 -2.303 16.568 96 1HB PHE 14 HB2 PHE 14 13.566 -3.076 16.678 97 2HB PHE 14 HB1 PHE 14 14.747 -3.550 15.465 98 HD1 PHE 14 HD1 PHE 14 16.990 -4.577 16.752 99 HD2 PHE 14 HD2 PHE 14 12.939 -4.801 18.040 100 HE1 PHE 14 HE1 PHE 14 17.520 -6.594 18.056 101 HE2 PHE 14 HE2 PHE 14 13.463 -6.819 19.346 102 HZ PHE 14 HZ PHE 14 15.756 -7.717 19.356 103 H LEU 15 HN LEU 15 13.493 -0.559 17.408 104 HA LEU 15 HA LEU 15 13.123 0.701 14.926 105 1HB LEU 15 HB2 LEU 15 11.758 0.615 17.308 106 2HB LEU 15 HB1 LEU 15 12.317 2.275 17.265 107 HG LEU 15 HG LEU 15 10.081 2.112 16.340 108 1HD1 LEU 15 3HD1 LEU 15 11.661 3.763 15.404 109 2HD1 LEU 15 2HD1 LEU 15 12.079 2.607 14.139 110 3HD1 LEU 15 1HD1 LEU 15 10.438 3.244 14.245 111 1HD2 LEU 15 2HD2 LEU 15 10.288 -0.256 15.595 112 2HD2 LEU 15 1HD2 LEU 15 9.556 0.813 14.399 113 3HD2 LEU 15 3HD2 LEU 15 11.237 0.308 14.220 114 H THR 16 HN THR 16 14.811 1.814 17.865 115 HA THR 16 HA THR 16 15.531 4.355 16.961 116 HB THR 16 HB THR 16 17.270 2.654 18.745 117 HG1 THR 16 HG1 THR 16 15.611 2.501 20.003 118 1HG2 THR 16 1HG2 THR 16 16.682 5.605 18.721 119 2HG2 THR 16 3HG2 THR 16 17.645 4.764 19.936 120 3HG2 THR 16 2HG2 THR 16 18.197 4.827 18.263 121 H GLN 17 HN GLN 17 17.128 1.228 16.517 122 HA GLN 17 HA GLN 17 19.516 2.159 15.367 123 1HB GLN 17 HB2 GLN 17 18.955 -0.192 16.211 124 2HB GLN 17 HB1 GLN 17 18.194 -0.453 14.648 125 1HG GLN 17 HG2 GLN 17 21.035 0.474 14.860 126 2HG GLN 17 HG1 GLN 17 20.612 -1.232 14.982 127 1HE2 GLN 17 1HE2 GLN 17 21.880 0.803 12.923 128 2HE2 GLN 17 2HE2 GLN 17 21.226 0.243 11.426 129 H VAL 18 HN VAL 18 16.435 1.214 13.894 130 HA VAL 18 HA VAL 18 16.722 1.064 11.284 131 HB VAL 18 HB VAL 18 14.732 2.913 12.601 132 1HG1 VAL 18 3HG1 VAL 18 14.934 1.895 9.786 133 2HG1 VAL 18 2HG1 VAL 18 13.382 2.343 10.495 134 3HG1 VAL 18 1HG1 VAL 18 14.666 3.543 10.351 135 1HG2 VAL 18 2HG2 VAL 18 14.640 -0.002 11.843 136 2HG2 VAL 18 1HG2 VAL 18 14.498 0.701 13.454 137 3HG2 VAL 18 3HG2 VAL 18 13.213 0.942 12.271 138 H LYS 19 HN LYS 19 16.931 4.234 12.917 139 HA LYS 19 HA LYS 19 17.171 5.873 10.718 140 1HB LYS 19 HB2 LYS 19 18.293 6.046 13.491 141 2HB LYS 19 HB1 LYS 19 18.705 7.272 12.298 142 1HG LYS 19 HG2 LYS 19 16.885 8.312 13.072 143 2HG LYS 19 HG1 LYS 19 16.010 7.186 12.034 144 1HD LYS 19 HD2 LYS 19 16.447 5.766 14.384 145 2HD LYS 19 HD1 LYS 19 16.046 7.397 14.925 146 1HE LYS 19 HE2 LYS 19 13.978 7.365 13.745 147 2HE LYS 19 HE1 LYS 19 14.412 5.878 12.903 148 1HZ LYS 19 HZ2 LYS 19 14.068 6.048 15.845 149 2HZ LYS 19 HZ1 LYS 19 12.830 5.595 14.785 150 3HZ LYS 19 HZ3 LYS 19 14.228 4.649 14.908 151 H GLU 20 HN GLU 20 19.867 4.339 12.475 152 HA GLU 20 HA GLU 20 21.879 5.239 10.714 153 1HB GLU 20 HB2 GLU 20 21.941 2.749 12.423 154 2HB GLU 20 HB1 GLU 20 23.329 3.612 11.779 155 1HG GLU 20 HG2 GLU 20 23.394 4.544 13.809 156 2HG GLU 20 HG1 GLU 20 22.121 5.586 13.175 157 H SER 21 HN SER 21 19.736 2.497 10.667 158 HA SER 21 HA SER 21 21.065 0.927 8.738 159 1HB SER 21 HB2 SER 21 19.321 -0.489 8.984 160 2HB SER 21 HB1 SER 21 18.826 0.591 10.285 161 HG SER 21 HG SER 21 17.315 1.469 9.006 162 H LEU 22 HN LEU 22 18.711 3.546 8.451 163 HA LEU 22 HA LEU 22 18.361 3.318 5.634 164 1HB LEU 22 HB2 LEU 22 17.868 5.674 7.458 165 2HB LEU 22 HB1 LEU 22 17.297 5.533 5.806 166 HG LEU 22 HG LEU 22 16.500 3.379 7.690 167 1HD1 LEU 22 3HD1 LEU 22 15.357 6.165 7.780 168 2HD1 LEU 22 2HD1 LEU 22 14.604 4.743 8.499 169 3HD1 LEU 22 1HD1 LEU 22 16.166 5.307 9.091 170 1HD2 LEU 22 3HD2 LEU 22 15.841 3.361 5.326 171 2HD2 LEU 22 2HD2 LEU 22 14.446 3.478 6.398 172 3HD2 LEU 22 1HD2 LEU 22 15.028 4.909 5.549 173 H SER 23 HN SER 23 20.545 5.164 7.703 174 HA SER 23 HA SER 23 21.570 6.924 5.786 175 1HB SER 23 HB2 SER 23 23.037 5.717 8.146 176 2HB SER 23 HB1 SER 23 23.498 7.181 7.279 177 HG SER 23 HG SER 23 21.494 6.777 9.150 178 H SER 24 HN SER 24 22.933 3.817 6.887 179 HA SER 24 HA SER 24 24.972 3.708 4.936 180 1HB SER 24 HB2 SER 24 23.652 1.487 6.513 181 2HB SER 24 HB1 SER 24 25.114 1.294 5.547 182 HG SER 24 HG SER 24 24.742 2.581 7.986 183 H TYR 25 HN TYR 25 21.592 3.168 4.714 184 HA TYR 25 HA TYR 25 21.692 1.357 2.478 185 1HB TYR 25 HB2 TYR 25 19.784 1.344 4.034 186 2HB TYR 25 HB1 TYR 25 19.389 2.994 3.565 187 HD1 TYR 25 HD1 TYR 25 18.222 3.454 1.525 188 HD2 TYR 25 HD2 TYR 25 19.456 -0.514 2.437 189 HE1 TYR 25 HE1 TYR 25 16.803 2.601 -0.293 190 HE2 TYR 25 HE2 TYR 25 18.041 -1.377 0.621 191 HH TYR 25 HH TYR 25 17.051 0.041 -1.776 192 H TRP 26 HN TRP 26 21.187 4.831 2.957 193 HA TRP 26 HA TRP 26 20.549 5.474 0.291 194 1HB TRP 26 HB2 TRP 26 21.217 6.926 2.738 195 2HB TRP 26 HB1 TRP 26 21.797 7.733 1.284 196 HD1 TRP 26 HD1 TRP 26 18.905 7.748 3.423 197 HE1 TRP 26 HE1 TRP 26 16.809 8.616 2.207 198 HE3 TRP 26 HE3 TRP 26 20.561 7.395 -1.402 199 HZ2 TRP 26 HZ2 TRP 26 15.969 9.087 -0.448 200 HZ3 TRP 26 HZ3 TRP 26 19.050 8.073 -3.220 201 HH2 TRP 26 HH2 TRP 26 16.802 8.901 -2.752 202 H GLU 27 HN GLU 27 23.620 5.222 1.988 203 HA GLU 27 HA GLU 27 25.442 6.373 0.352 204 1HB GLU 27 HB2 GLU 27 25.473 4.021 2.125 205 2HB GLU 27 HB1 GLU 27 26.737 4.029 0.904 206 1HG GLU 27 HG2 GLU 27 27.688 5.056 2.771 207 2HG GLU 27 HG1 GLU 27 27.274 6.382 1.686 208 H SER 28 HN SER 28 24.375 2.995 -0.016 209 HA SER 28 HA SER 28 25.429 2.907 -2.722 210 1HB SER 28 HB2 SER 28 24.142 0.826 -0.949 211 2HB SER 28 HB1 SER 28 24.606 0.511 -2.622 212 HG SER 28 HG SER 28 26.663 0.537 -2.074 213 H ALA 29 HN ALA 29 22.482 3.744 -1.242 214 HA ALA 29 HA ALA 29 20.595 2.712 -3.052 215 1HB ALA 29 HB2 ALA 29 19.937 3.696 -0.930 216 2HB ALA 29 HB3 ALA 29 19.105 4.490 -2.266 217 3HB ALA 29 HB1 ALA 29 20.471 5.283 -1.484 218 H LYS 30 HN LYS 30 22.599 5.623 -3.207 219 HA LYS 30 HA LYS 30 21.379 6.955 -5.304 220 1HB LYS 30 HB2 LYS 30 23.375 7.697 -3.885 221 2HB LYS 30 HB1 LYS 30 24.373 6.788 -5.012 222 1HG LYS 30 HG2 LYS 30 22.475 8.768 -6.141 223 2HG LYS 30 HG1 LYS 30 23.904 9.376 -5.304 224 1HD LYS 30 HD2 LYS 30 24.264 7.206 -7.309 225 2HD LYS 30 HD1 LYS 30 23.933 8.837 -7.896 226 1HE LYS 30 HE2 LYS 30 26.019 8.513 -5.806 227 2HE LYS 30 HE1 LYS 30 26.401 7.965 -7.437 228 1HZ LYS 30 HZ1 LYS 30 25.846 10.169 -8.267 229 2HZ LYS 30 HZ3 LYS 30 25.488 10.694 -6.698 230 3HZ LYS 30 HZ2 LYS 30 27.070 10.256 -7.104 231 H THR 31 HN THR 31 23.917 4.470 -5.528 232 HA THR 31 HA THR 31 24.276 4.356 -8.254 233 HB THR 31 HB THR 31 24.108 1.877 -6.536 234 HG1 THR 31 HG1 THR 31 25.543 2.810 -5.330 235 1HG2 THR 31 2HG2 THR 31 25.881 2.606 -8.853 236 2HG2 THR 31 1HG2 THR 31 26.026 1.143 -7.878 237 3HG2 THR 31 3HG2 THR 31 24.579 1.415 -8.851 238 H ALA 32 HN ALA 32 21.696 3.004 -6.285 239 HA ALA 32 HA ALA 32 20.425 1.478 -8.288 240 1HB ALA 32 HB2 ALA 32 18.829 2.798 -6.138 241 2HB ALA 32 HB1 ALA 32 18.712 1.162 -6.785 242 3HB ALA 32 HB3 ALA 32 20.035 1.588 -5.699 243 H ALA 33 HN ALA 33 20.035 4.867 -7.270 244 HA ALA 33 HA ALA 33 17.834 5.602 -8.756 245 1HB ALA 33 HB2 ALA 33 19.171 7.025 -7.134 246 2HB ALA 33 HB1 ALA 33 20.241 7.381 -8.491 247 3HB ALA 33 HB3 ALA 33 18.540 7.843 -8.564 248 H GLN 34 HN GLN 34 21.217 5.850 -9.856 249 HA GLN 34 HA GLN 34 20.536 6.523 -12.515 250 1HB GLN 34 HB2 GLN 34 22.832 6.651 -11.200 251 2HB GLN 34 HB1 GLN 34 23.074 5.062 -11.908 252 1HG GLN 34 HG2 GLN 34 22.207 7.229 -13.725 253 2HG GLN 34 HG1 GLN 34 23.851 7.309 -13.096 254 1HE2 GLN 34 1HE2 GLN 34 25.234 5.448 -13.453 255 2HE2 GLN 34 2HE2 GLN 34 25.002 4.481 -14.866 256 H ASN 35 HN ASN 35 21.050 3.480 -10.836 257 HA ASN 35 HA ASN 35 21.099 1.788 -13.088 258 1HB ASN 35 HB2 ASN 35 20.912 1.470 -10.206 259 2HB ASN 35 HB1 ASN 35 19.912 0.296 -11.055 260 1HD2 ASN 35 1HD2 ASN 35 20.881 -1.251 -12.352 261 2HD2 ASN 35 2HD2 ASN 35 22.579 -1.565 -12.307 262 H LEU 36 HN LEU 36 18.497 3.340 -11.418 263 HA LEU 36 HA LEU 36 16.324 1.790 -12.241 264 1HB LEU 36 HB2 LEU 36 16.457 3.893 -10.663 265 2HB LEU 36 HB1 LEU 36 16.136 4.780 -12.140 266 HG LEU 36 HG LEU 36 14.101 3.193 -12.390 267 1HD1 LEU 36 1HD1 LEU 36 14.738 1.623 -10.641 268 2HD1 LEU 36 3HD1 LEU 36 14.662 2.914 -9.441 269 3HD1 LEU 36 2HD1 LEU 36 13.195 2.391 -10.269 270 1HD2 LEU 36 3HD2 LEU 36 13.956 5.595 -11.943 271 2HD2 LEU 36 2HD2 LEU 36 12.724 4.697 -11.059 272 3HD2 LEU 36 1HD2 LEU 36 14.158 5.286 -10.219 273 H TYR 37 HN TYR 37 17.988 4.516 -13.706 274 HA TYR 37 HA TYR 37 16.479 4.620 -16.106 275 1HB TYR 37 HB2 TYR 37 19.164 5.656 -15.258 276 2HB TYR 37 HB1 TYR 37 18.716 5.705 -16.961 277 HD1 TYR 37 HD1 TYR 37 17.967 7.016 -13.615 278 HD2 TYR 37 HD2 TYR 37 17.006 7.215 -17.754 279 HE1 TYR 37 HE1 TYR 37 16.729 9.102 -13.220 280 HE2 TYR 37 HE2 TYR 37 15.765 9.304 -17.371 281 HH TYR 37 HH TYR 37 16.056 11.248 -15.205 282 H GLU 38 HN GLU 38 19.287 2.770 -15.058 283 HA GLU 38 HA GLU 38 20.083 1.727 -17.545 284 1HB GLU 38 HB2 GLU 38 20.472 0.937 -14.716 285 2HB GLU 38 HB1 GLU 38 20.738 -0.314 -15.920 286 1HG GLU 38 HG2 GLU 38 22.605 0.661 -16.729 287 2HG GLU 38 HG1 GLU 38 22.016 2.296 -16.431 288 H LYS 39 HN LYS 39 18.168 0.044 -15.086 289 HA LYS 39 HA LYS 39 17.381 -2.075 -16.743 290 1HB LYS 39 HB2 LYS 39 15.716 -2.572 -14.987 291 2HB LYS 39 HB1 LYS 39 17.325 -2.290 -14.341 292 1HG LYS 39 HG2 LYS 39 16.548 -0.707 -13.010 293 2HG LYS 39 HG1 LYS 39 15.913 0.184 -14.391 294 1HD LYS 39 HD2 LYS 39 14.357 -2.170 -13.495 295 2HD LYS 39 HD1 LYS 39 14.361 -0.768 -12.425 296 1HE LYS 39 HE2 LYS 39 13.726 -0.589 -15.362 297 2HE LYS 39 HE1 LYS 39 12.496 -0.868 -14.132 298 1HZ LYS 39 HZ2 LYS 39 13.262 1.228 -13.064 299 2HZ LYS 39 HZ1 LYS 39 14.252 1.509 -14.405 300 3HZ LYS 39 HZ3 LYS 39 12.572 1.448 -14.591 301 H THR 40 HN THR 40 16.378 1.132 -16.967 302 HA THR 40 HA THR 40 13.622 0.781 -17.525 303 HB THR 40 HB THR 40 15.580 2.913 -18.392 304 HG1 THR 40 HG1 THR 40 15.136 3.003 -16.219 305 1HG2 THR 40 2HG2 THR 40 12.613 2.794 -18.827 306 2HG2 THR 40 1HG2 THR 40 13.533 4.299 -18.828 307 3HG2 THR 40 3HG2 THR 40 13.884 3.051 -20.025 308 H TYR 41 HN TYR 41 16.465 0.997 -19.602 309 HA TYR 41 HA TYR 41 15.119 0.492 -22.043 310 1HB TYR 41 HB2 TYR 41 17.990 -0.281 -21.715 311 2HB TYR 41 HB1 TYR 41 17.196 0.527 -23.061 312 HD1 TYR 41 HD1 TYR 41 19.484 0.976 -20.506 313 HD2 TYR 41 HD2 TYR 41 16.187 2.945 -22.338 314 HE1 TYR 41 HE1 TYR 41 20.323 3.133 -19.680 315 HE2 TYR 41 HE2 TYR 41 17.018 5.109 -21.517 316 HH TYR 41 HH TYR 41 18.838 5.626 -19.207 317 H LEU 42 HN LEU 42 16.947 -1.638 -19.843 318 HA LEU 42 HA LEU 42 16.521 -3.980 -21.439 319 1HB LEU 42 HB2 LEU 42 17.402 -3.742 -18.564 320 2HB LEU 42 HB1 LEU 42 17.500 -5.192 -19.543 321 HG LEU 42 HG LEU 42 18.853 -2.898 -20.754 322 1HD1 LEU 42 3HD1 LEU 42 19.266 -2.374 -18.394 323 2HD1 LEU 42 2HD1 LEU 42 19.913 -3.997 -18.155 324 3HD1 LEU 42 1HD1 LEU 42 20.738 -2.868 -19.229 325 1HD2 LEU 42 1HD2 LEU 42 19.033 -5.213 -21.553 326 2HD2 LEU 42 3HD2 LEU 42 20.600 -4.547 -21.098 327 3HD2 LEU 42 2HD2 LEU 42 19.776 -5.674 -20.023 328 HA PRO 43 HA PRO 43 12.574 -5.109 -19.672 329 1HB PRO 43 HB2 PRO 43 12.078 -7.210 -21.228 330 2HB PRO 43 HB1 PRO 43 12.169 -5.583 -21.911 331 1HG PRO 43 HG2 PRO 43 14.145 -7.802 -22.039 332 2HG PRO 43 HG1 PRO 43 13.784 -6.547 -23.235 333 1HD PRO 43 HD2 PRO 43 15.909 -6.560 -21.355 334 2HD PRO 43 HD1 PRO 43 15.423 -5.220 -22.411 335 H ALA 44 HN ALA 44 14.857 -5.938 -18.107 336 HA ALA 44 HA ALA 44 14.906 -8.715 -17.609 337 1HB ALA 44 HB3 ALA 44 16.599 -6.883 -16.952 338 2HB ALA 44 HB1 ALA 44 16.354 -8.251 -15.865 339 3HB ALA 44 HB2 ALA 44 15.598 -6.698 -15.512 340 H VAL 45 HN VAL 45 12.579 -6.369 -16.729 341 HA VAL 45 HA VAL 45 11.649 -6.963 -14.273 342 HB VAL 45 HB VAL 45 10.593 -5.267 -15.624 343 1HG1 VAL 45 1HG1 VAL 45 10.657 -6.711 -17.741 344 2HG1 VAL 45 3HG1 VAL 45 9.113 -7.357 -17.183 345 3HG1 VAL 45 2HG1 VAL 45 9.281 -5.633 -17.516 346 1HG2 VAL 45 3HG2 VAL 45 9.359 -6.402 -13.732 347 2HG2 VAL 45 2HG2 VAL 45 8.361 -5.535 -14.899 348 3HG2 VAL 45 1HG2 VAL 45 8.470 -7.294 -14.968 349 H ASP 46 HN ASP 46 10.733 -8.819 -17.192 350 HA ASP 46 HA ASP 46 9.231 -10.724 -15.666 351 1HB ASP 46 HB2 ASP 46 8.978 -10.029 -18.174 352 2HB ASP 46 HB1 ASP 46 10.202 -11.264 -18.450 353 H GLU 47 HN GLU 47 12.523 -10.572 -16.944 354 HA GLU 47 HA GLU 47 13.135 -13.326 -16.558 355 1HB GLU 47 HB2 GLU 47 14.448 -11.812 -18.023 356 2HB GLU 47 HB1 GLU 47 15.030 -10.967 -16.596 357 1HG GLU 47 HG2 GLU 47 16.654 -12.577 -17.509 358 2HG GLU 47 HG1 GLU 47 16.198 -12.920 -15.842 359 H LYS 48 HN LYS 48 13.956 -10.446 -14.619 360 HA LYS 48 HA LYS 48 15.095 -11.854 -12.460 361 1HB LYS 48 HB2 LYS 48 14.539 -9.133 -13.130 362 2HB LYS 48 HB1 LYS 48 13.939 -9.432 -11.506 363 1HG LYS 48 HG2 LYS 48 16.042 -8.900 -10.929 364 2HG LYS 48 HG1 LYS 48 16.354 -10.592 -11.318 365 1HD LYS 48 HD2 LYS 48 16.488 -8.651 -13.554 366 2HD LYS 48 HD1 LYS 48 17.776 -8.574 -12.351 367 1HE LYS 48 HE2 LYS 48 18.771 -10.285 -13.357 368 2HE LYS 48 HE1 LYS 48 17.393 -11.300 -12.934 369 1HZ LYS 48 HZ1 LYS 48 16.320 -10.471 -15.016 370 2HZ LYS 48 HZ3 LYS 48 17.795 -9.756 -15.434 371 3HZ LYS 48 HZ2 LYS 48 17.686 -11.435 -15.264 372 H LEU 49 HN LEU 49 11.798 -11.242 -13.346 373 HA LEU 49 HA LEU 49 10.566 -11.511 -10.821 374 1HB LEU 49 HB2 LEU 49 9.729 -11.451 -13.612 375 2HB LEU 49 HB1 LEU 49 8.780 -12.581 -12.667 376 HG LEU 49 HG LEU 49 9.184 -9.718 -11.826 377 1HD1 LEU 49 3HD1 LEU 49 8.136 -9.782 -14.048 378 2HD1 LEU 49 2HD1 LEU 49 6.890 -10.859 -13.416 379 3HD1 LEU 49 1HD1 LEU 49 7.026 -9.211 -12.802 380 1HD2 LEU 49 2HD2 LEU 49 8.479 -11.275 -10.079 381 2HD2 LEU 49 1HD2 LEU 49 7.191 -10.139 -10.480 382 3HD2 LEU 49 3HD2 LEU 49 7.124 -11.795 -11.083 383 H ARG 50 HN ARG 50 10.869 -13.880 -13.472 384 HA ARG 50 HA ARG 50 10.100 -16.110 -11.918 385 1HB ARG 50 HB2 ARG 50 11.374 -15.690 -14.573 386 2HB ARG 50 HB1 ARG 50 11.586 -17.272 -13.835 387 1HG ARG 50 HG2 ARG 50 9.694 -17.481 -15.190 388 2HG ARG 50 HG1 ARG 50 9.060 -17.309 -13.552 389 1HD ARG 50 HD2 ARG 50 9.430 -14.843 -15.167 390 2HD ARG 50 HD1 ARG 50 8.099 -15.915 -15.598 391 HE ARG 50 HE ARG 50 8.011 -15.492 -12.838 392 1HH1 ARG 50 1HH1 ARG 50 7.584 -13.667 -15.793 393 2HH1 ARG 50 2HH1 ARG 50 6.469 -12.547 -15.085 394 1HH2 ARG 50 1HH2 ARG 50 6.543 -14.014 -11.911 395 2HH2 ARG 50 2HH2 ARG 50 5.878 -12.744 -12.881 396 H ASP 51 HN ASP 51 13.176 -14.524 -12.525 397 HA ASP 51 HA ASP 51 14.939 -16.465 -11.576 398 1HB ASP 51 HB2 ASP 51 15.698 -14.433 -12.714 399 2HB ASP 51 HB1 ASP 51 15.162 -13.455 -11.352 400 H LEU 52 HN LEU 52 13.660 -13.678 -9.745 401 HA LEU 52 HA LEU 52 14.579 -14.620 -7.236 402 1HB LEU 52 HB2 LEU 52 12.771 -12.442 -8.161 403 2HB LEU 52 HB1 LEU 52 12.713 -12.899 -6.469 404 HG LEU 52 HG LEU 52 15.307 -12.584 -6.570 405 1HD1 LEU 52 1HD1 LEU 52 15.361 -12.294 -9.025 406 2HD1 LEU 52 3HD1 LEU 52 14.436 -10.803 -8.840 407 3HD1 LEU 52 2HD1 LEU 52 16.054 -10.928 -8.150 408 1HD2 LEU 52 2HD2 LEU 52 13.392 -10.254 -6.617 409 2HD2 LEU 52 1HD2 LEU 52 13.794 -11.242 -5.213 410 3HD2 LEU 52 3HD2 LEU 52 15.029 -10.229 -5.960 411 H TYR 53 HN TYR 53 11.772 -15.379 -9.106 412 HA TYR 53 HA TYR 53 10.038 -16.134 -6.995 413 1HB TYR 53 HB2 TYR 53 10.127 -16.520 -9.936 414 2HB TYR 53 HB1 TYR 53 9.171 -17.684 -9.027 415 HD1 TYR 53 HD1 TYR 53 7.070 -16.997 -9.980 416 HD2 TYR 53 HD2 TYR 53 9.533 -14.179 -7.953 417 HE1 TYR 53 HE1 TYR 53 5.195 -15.408 -9.918 418 HE2 TYR 53 HE2 TYR 53 7.664 -12.586 -7.886 419 HH TYR 53 HH TYR 53 4.776 -13.124 -8.047 420 H SER 54 HN SER 54 12.300 -17.991 -9.022 421 HA SER 54 HA SER 54 11.770 -20.519 -7.921 422 1HB SER 54 HB2 SER 54 14.324 -19.462 -9.158 423 2HB SER 54 HB1 SER 54 13.986 -21.162 -8.839 424 HG SER 54 HG SER 54 12.584 -21.207 -10.457 425 H LYS 55 HN LYS 55 14.332 -18.168 -7.121 426 HA LYS 55 HA LYS 55 15.495 -19.639 -5.030 427 1HB LYS 55 HB2 LYS 55 15.466 -16.708 -5.705 428 2HB LYS 55 HB1 LYS 55 16.291 -17.305 -4.272 429 1HG LYS 55 HG2 LYS 55 18.065 -17.811 -5.487 430 2HG LYS 55 HG1 LYS 55 17.094 -18.900 -6.480 431 1HD LYS 55 HD2 LYS 55 16.363 -16.505 -7.505 432 2HD LYS 55 HD1 LYS 55 18.021 -16.154 -7.019 433 1HE LYS 55 HE2 LYS 55 18.166 -16.914 -9.243 434 2HE LYS 55 HE1 LYS 55 18.678 -18.275 -8.247 435 1HZ LYS 55 HZ1 LYS 55 15.946 -17.936 -9.365 436 2HZ LYS 55 HZ3 LYS 55 17.148 -18.914 -10.042 437 3HZ LYS 55 HZ2 LYS 55 16.524 -19.277 -8.513 438 H SER 56 HN SER 56 12.960 -17.142 -4.976 439 HA SER 56 HA SER 56 12.696 -16.985 -2.185 440 1HB SER 56 HB2 SER 56 10.608 -15.839 -2.583 441 2HB SER 56 HB1 SER 56 11.775 -15.326 -3.800 442 HG SER 56 HG SER 56 9.931 -15.773 -4.901 443 H THR 57 HN THR 57 11.224 -19.246 -4.488 444 HA THR 57 HA THR 57 9.195 -20.261 -2.866 445 HB THR 57 HB THR 57 10.844 -21.691 -4.963 446 HG1 THR 57 HG1 THR 57 8.380 -20.293 -5.103 447 1HG2 THR 57 3HG2 THR 57 8.243 -22.455 -3.673 448 2HG2 THR 57 2HG2 THR 57 8.762 -23.077 -5.240 449 3HG2 THR 57 1HG2 THR 57 9.725 -23.405 -3.799 450 H ALA 58 HN ALA 58 12.615 -21.193 -3.084 451 HA ALA 58 HA ALA 58 12.434 -23.400 -1.311 452 1HB ALA 58 HB3 ALA 58 14.883 -23.288 -1.237 453 2HB ALA 58 HB2 ALA 58 14.269 -23.186 -2.887 454 3HB ALA 58 HB1 ALA 58 14.830 -21.730 -2.064 455 H ALA 59 HN ALA 59 13.623 -20.066 -0.809 456 HA ALA 59 HA ALA 59 14.157 -20.335 1.940 457 1HB ALA 59 HB2 ALA 59 14.185 -17.883 1.990 458 2HB ALA 59 HB3 ALA 59 13.470 -17.847 0.378 459 3HB ALA 59 HB1 ALA 59 15.083 -18.521 0.612 460 H MET 60 HN MET 60 11.269 -19.151 0.238 461 HA MET 60 HA MET 60 9.794 -18.399 2.504 462 1HB MET 60 HB2 MET 60 9.350 -17.926 0.002 463 2HB MET 60 HB1 MET 60 8.507 -19.468 0.009 464 1HG MET 60 HG2 MET 60 6.930 -17.688 0.309 465 2HG MET 60 HG1 MET 60 7.039 -18.627 1.796 466 1HE MET 60 HE2 MET 60 7.975 -18.050 3.817 467 2HE MET 60 HE1 MET 60 8.356 -16.433 4.410 468 3HE MET 60 HE3 MET 60 6.686 -16.869 4.049 469 H SER 61 HN SER 61 10.458 -21.552 1.197 470 HA SER 61 HA SER 61 8.221 -22.923 2.257 471 1HB SER 61 HB2 SER 61 9.944 -23.711 0.489 472 2HB SER 61 HB1 SER 61 10.909 -24.217 1.876 473 HG SER 61 HG SER 61 8.531 -25.253 0.884 474 H THR 62 HN THR 62 11.066 -21.686 3.749 475 HA THR 62 HA THR 62 10.624 -23.325 6.146 476 HB THR 62 HB THR 62 12.847 -22.438 6.885 477 HG1 THR 62 HG1 THR 62 13.386 -20.699 5.817 478 1HG2 THR 62 3HG2 THR 62 12.713 -24.607 5.736 479 2HG2 THR 62 2HG2 THR 62 12.961 -23.782 4.196 480 3HG2 THR 62 1HG2 THR 62 14.227 -23.757 5.425 481 H TYR 63 HN TYR 63 11.117 -19.949 5.126 482 HA TYR 63 HA TYR 63 10.611 -18.778 7.625 483 1HB TYR 63 HB2 TYR 63 10.489 -17.697 4.811 484 2HB TYR 63 HB1 TYR 63 10.180 -16.696 6.225 485 HD1 TYR 63 HD1 TYR 63 12.107 -16.972 8.111 486 HD2 TYR 63 HD2 TYR 63 12.612 -17.600 3.933 487 HE1 TYR 63 HE1 TYR 63 14.518 -16.556 8.346 488 HE2 TYR 63 HE2 TYR 63 15.025 -17.189 4.157 489 HH TYR 63 HH TYR 63 16.708 -17.422 6.676 490 H THR 64 HN THR 64 8.479 -20.249 5.361 491 HA THR 64 HA THR 64 6.193 -18.653 5.931 492 HB THR 64 HB THR 64 6.638 -21.294 4.609 493 HG1 THR 64 HG1 THR 64 6.223 -20.123 2.929 494 1HG2 THR 64 3HG2 THR 64 3.971 -20.349 5.604 495 2HG2 THR 64 2HG2 THR 64 4.139 -21.396 4.195 496 3HG2 THR 64 1HG2 THR 64 4.711 -21.941 5.771 497 H GLY 65 HN GLY 65 7.055 -21.937 7.006 498 1HA GLY 65 HA1 GLY 65 6.490 -23.070 8.930 499 2HA GLY 65 HA2 GLY 65 5.060 -22.046 9.015 500 H ILE 66 HN ILE 66 8.417 -20.980 8.977 501 HA ILE 66 HA ILE 66 8.743 -20.618 11.761 502 HB ILE 66 HB ILE 66 10.151 -19.365 9.406 503 1HG1 ILE 66 2HG1 ILE 66 10.514 -21.783 9.812 504 2HG1 ILE 66 1HG1 ILE 66 11.982 -20.839 10.032 505 1HG2 ILE 66 1HG2 ILE 66 10.564 -18.899 12.339 506 2HG2 ILE 66 3HG2 ILE 66 11.887 -18.724 11.185 507 3HG2 ILE 66 2HG2 ILE 66 10.445 -17.720 11.031 508 1HD1 ILE 66 3HD1 ILE 66 11.607 -20.910 12.472 509 2HD1 ILE 66 2HD1 ILE 66 10.211 -21.950 12.194 510 3HD1 ILE 66 1HD1 ILE 66 11.826 -22.503 11.750 511 H PHE 67 HN PHE 67 8.209 -18.161 9.219 512 HA PHE 67 HA PHE 67 7.820 -15.959 10.846 513 1HB PHE 67 HB2 PHE 67 7.996 -15.806 8.399 514 2HB PHE 67 HB1 PHE 67 6.406 -16.545 8.234 515 HD1 PHE 67 HD1 PHE 67 4.426 -15.270 8.485 516 HD2 PHE 67 HD2 PHE 67 8.211 -13.542 9.382 517 HE1 PHE 67 HE1 PHE 67 3.381 -13.046 8.596 518 HE2 PHE 67 HE2 PHE 67 7.172 -11.316 9.495 519 HZ PHE 67 HZ PHE 67 4.754 -11.065 9.102 520 H THR 68 HN THR 68 5.249 -18.019 9.493 521 HA THR 68 HA THR 68 3.161 -16.834 10.956 522 HB THR 68 HB THR 68 3.199 -19.638 9.842 523 HG1 THR 68 HG1 THR 68 3.479 -18.647 8.015 524 1HG2 THR 68 1HG2 THR 68 0.979 -17.725 10.483 525 2HG2 THR 68 3HG2 THR 68 0.779 -19.081 9.372 526 3HG2 THR 68 2HG2 THR 68 1.208 -19.378 11.056 527 H ASP 69 HN ASP 69 5.567 -19.052 11.939 528 HA ASP 69 HA ASP 69 4.215 -20.548 13.878 529 1HB ASP 69 HB2 ASP 69 6.840 -20.352 13.056 530 2HB ASP 69 HB1 ASP 69 6.911 -19.737 14.703 531 H GLN 70 HN GLN 70 6.149 -17.590 14.424 532 HA GLN 70 HA GLN 70 5.170 -17.222 17.070 533 1HB GLN 70 HB2 GLN 70 7.364 -16.364 16.232 534 2HB GLN 70 HB1 GLN 70 6.487 -15.172 15.283 535 1HG GLN 70 HG2 GLN 70 7.402 -14.293 17.408 536 2HG GLN 70 HG1 GLN 70 5.656 -14.109 17.253 537 1HE2 GLN 70 1HE2 GLN 70 8.062 -16.390 18.539 538 2HE2 GLN 70 2HE2 GLN 70 7.164 -16.796 19.957 539 H VAL 71 HN VAL 71 3.993 -16.292 13.952 540 HA VAL 71 HA VAL 71 2.355 -14.110 14.753 541 HB VAL 71 HB VAL 71 2.098 -15.961 12.369 542 1HG1 VAL 71 1HG1 VAL 71 0.624 -13.440 13.085 543 2HG1 VAL 71 3HG1 VAL 71 0.730 -14.043 11.431 544 3HG1 VAL 71 2HG1 VAL 71 -0.044 -15.020 12.679 545 1HG2 VAL 71 2HG2 VAL 71 4.128 -14.304 12.774 546 2HG2 VAL 71 1HG2 VAL 71 3.420 -14.537 11.175 547 3HG2 VAL 71 3HG2 VAL 71 2.973 -13.132 12.142 548 H LEU 72 HN LEU 72 1.648 -17.504 14.005 549 HA LEU 72 HA LEU 72 -1.025 -17.544 14.831 550 1HB LEU 72 HB2 LEU 72 0.357 -19.335 13.565 551 2HB LEU 72 HB1 LEU 72 0.831 -19.889 15.160 552 HG LEU 72 HG LEU 72 -2.073 -19.575 14.777 553 1HD1 LEU 72 3HD1 LEU 72 -1.452 -20.408 12.568 554 2HD1 LEU 72 2HD1 LEU 72 -0.557 -21.732 13.314 555 3HD1 LEU 72 1HD1 LEU 72 -2.309 -21.638 13.498 556 1HD2 LEU 72 2HD2 LEU 72 -0.329 -21.785 15.859 557 2HD2 LEU 72 1HD2 LEU 72 -1.111 -20.519 16.806 558 3HD2 LEU 72 3HD2 LEU 72 -2.088 -21.717 15.959 559 H SER 73 HN SER 73 2.015 -17.852 16.564 560 HA SER 73 HA SER 73 1.039 -18.751 19.028 561 1HB SER 73 HB2 SER 73 3.481 -18.512 18.297 562 2HB SER 73 HB1 SER 73 3.335 -16.814 18.746 563 HG SER 73 HG SER 73 4.115 -17.923 20.510 564 H VAL 74 HN VAL 74 1.226 -15.511 17.672 565 HA VAL 74 HA VAL 74 0.389 -14.180 20.060 566 HB VAL 74 HB VAL 74 0.179 -13.177 17.213 567 1HG1 VAL 74 3HG1 VAL 74 -0.026 -11.857 19.897 568 2HG1 VAL 74 2HG1 VAL 74 0.463 -10.946 18.468 569 3HG1 VAL 74 1HG1 VAL 74 -1.112 -11.738 18.513 570 1HG2 VAL 74 1HG2 VAL 74 2.492 -13.663 18.874 571 2HG2 VAL 74 3HG2 VAL 74 2.405 -13.167 17.183 572 3HG2 VAL 74 2HG2 VAL 74 2.349 -11.955 18.462 573 H LEU 75 HN LEU 75 -1.249 -16.004 17.654 574 HA LEU 75 HA LEU 75 -3.789 -14.762 17.732 575 1HB LEU 75 HB2 LEU 75 -2.794 -16.631 16.153 576 2HB LEU 75 HB1 LEU 75 -3.531 -17.706 17.326 577 HG LEU 75 HG LEU 75 -5.685 -16.326 16.907 578 1HD1 LEU 75 2HD1 LEU 75 -4.510 -14.549 15.628 579 2HD1 LEU 75 1HD1 LEU 75 -4.208 -15.727 14.350 580 3HD1 LEU 75 3HD1 LEU 75 -5.863 -15.275 14.761 581 1HD2 LEU 75 2HD2 LEU 75 -5.372 -18.666 16.261 582 2HD2 LEU 75 1HD2 LEU 75 -6.287 -17.774 15.044 583 3HD2 LEU 75 3HD2 LEU 75 -4.585 -18.148 14.769 584 H LYS 76 HN LYS 76 -2.208 -17.143 19.715 585 HA LYS 76 HA LYS 76 -4.505 -17.910 21.225 586 1HB LYS 76 HB2 LYS 76 -2.444 -19.296 21.016 587 2HB LYS 76 HB1 LYS 76 -1.587 -18.116 21.995 588 1HG LYS 76 HG2 LYS 76 -4.069 -19.283 23.121 589 2HG LYS 76 HG1 LYS 76 -2.645 -20.319 23.020 590 1HD LYS 76 HD2 LYS 76 -2.709 -17.601 24.333 591 2HD LYS 76 HD1 LYS 76 -2.851 -19.135 25.191 592 1HE LYS 76 HE2 LYS 76 -0.631 -19.138 25.353 593 2HE LYS 76 HE1 LYS 76 -0.578 -19.425 23.615 594 1HZ LYS 76 HZ1 LYS 76 -0.712 -16.703 24.781 595 2HZ LYS 76 HZ3 LYS 76 0.752 -17.485 24.454 596 3HZ LYS 76 HZ2 LYS 76 -0.320 -17.136 23.193 597 H GLY 77 HN GLY 77 -1.749 -15.740 21.917 598 1HA GLY 77 HA1 GLY 77 -1.535 -13.985 23.386 599 2HA GLY 77 HA2 GLY 77 -2.627 -14.869 24.442 600 H GLU 78 HN GLU 78 -3.262 -13.585 21.199 601 HA GLU 78 HA GLU 78 -4.660 -11.272 22.026 602 1HB GLU 78 HB2 GLU 78 -4.008 -11.080 19.837 603 2HB GLU 78 HB1 GLU 78 -4.296 -12.776 19.487 604 1HG GLU 78 HG2 GLU 78 -6.668 -11.081 20.007 605 2HG GLU 78 HG1 GLU 78 -5.796 -10.819 18.499 606 H GLU 79 HN GLU 79 -5.739 -14.543 21.150 607 HA GLU 79 HA GLU 79 -8.514 -14.003 21.369 608 1HB GLU 79 HB2 GLU 79 -7.463 -15.951 20.157 609 2HB GLU 79 HB1 GLU 79 -7.162 -16.682 21.727 610 1HG GLU 79 HG2 GLU 79 -9.917 -15.856 20.884 611 2HG GLU 79 HG1 GLU 79 -9.235 -17.415 20.425 No H/Q in entry = 611 Start of MODEL 65 1 H1 THR 1 HT1 THR 1 14.770 3.365 54.184 2 H2 THR 1 HT3 THR 1 15.779 2.034 54.571 3 H3 THR 1 HT2 THR 1 16.132 3.590 55.203 4 HA THR 1 HA THR 1 16.565 4.418 53.029 5 HB THR 1 HB THR 1 18.045 1.844 53.628 6 HG1 THR 1 HG1 THR 1 18.482 2.868 55.407 7 1HG2 THR 1 2HG2 THR 1 18.935 4.331 52.189 8 2HG2 THR 1 1HG2 THR 1 20.003 3.028 52.712 9 3HG2 THR 1 3HG2 THR 1 18.754 2.715 51.507 10 H GLN 2 HN GLN 2 15.883 4.376 50.991 11 HA GLN 2 HA GLN 2 15.479 1.792 49.661 12 1HB GLN 2 HB2 GLN 2 13.307 2.878 50.581 13 2HB GLN 2 HB1 GLN 2 13.502 4.021 49.259 14 1HG GLN 2 HG2 GLN 2 13.408 1.044 48.857 15 2HG GLN 2 HG1 GLN 2 11.978 2.072 48.820 16 1HE2 GLN 2 1HE2 GLN 2 12.210 4.008 47.304 17 2HE2 GLN 2 2HE2 GLN 2 12.912 3.681 45.760 18 H GLN 3 HN GLN 3 16.621 1.740 47.852 19 HA GLN 3 HA GLN 3 16.709 4.057 46.100 20 1HB GLN 3 HB2 GLN 3 18.721 3.946 47.823 21 2HB GLN 3 HB1 GLN 3 19.345 2.779 46.666 22 1HG GLN 3 HG2 GLN 3 18.366 5.365 45.604 23 2HG GLN 3 HG1 GLN 3 19.877 5.370 46.512 24 1HE2 GLN 3 1HE2 GLN 3 21.698 4.632 45.564 25 2HE2 GLN 3 2HE2 GLN 3 21.772 3.990 43.962 26 HA PRO 4 HA PRO 4 16.290 0.465 43.427 27 1HB PRO 4 HB2 PRO 4 15.556 1.806 41.207 28 2HB PRO 4 HB1 PRO 4 14.448 1.551 42.561 29 1HG PRO 4 HG2 PRO 4 16.051 3.978 41.855 30 2HG PRO 4 HG1 PRO 4 14.371 3.869 42.409 31 1HD PRO 4 HD2 PRO 4 16.462 4.509 44.046 32 2HD PRO 4 HD1 PRO 4 14.980 3.718 44.614 33 H GLN 5 HN GLN 5 18.673 0.233 43.652 34 HA GLN 5 HA GLN 5 20.426 1.573 41.841 35 1HB GLN 5 HB2 GLN 5 20.723 -0.827 43.632 36 2HB GLN 5 HB1 GLN 5 22.008 -0.339 42.535 37 1HG GLN 5 HG2 GLN 5 22.684 1.260 43.909 38 2HG GLN 5 HG1 GLN 5 21.052 1.907 44.065 39 1HE2 GLN 5 1HE2 GLN 5 23.262 -0.552 45.288 40 2HE2 GLN 5 2HE2 GLN 5 22.532 -0.690 46.848 41 H GLN 6 HN GLN 6 19.086 -1.728 41.943 42 HA GLN 6 HA GLN 6 20.225 -2.566 39.487 43 1HB GLN 6 HB2 GLN 6 19.088 -3.880 41.522 44 2HB GLN 6 HB1 GLN 6 17.707 -3.830 40.437 45 1HG GLN 6 HG2 GLN 6 20.422 -4.911 39.715 46 2HG GLN 6 HG1 GLN 6 19.049 -5.887 40.231 47 1HE2 GLN 6 1HE2 GLN 6 20.529 -4.189 37.642 48 2HE2 GLN 6 2HE2 GLN 6 19.368 -4.585 36.424 49 H ASP 7 HN ASP 7 19.590 -0.530 38.268 50 HA ASP 7 HA ASP 7 16.869 -0.121 37.532 51 1HB ASP 7 HB2 ASP 7 17.757 1.471 35.897 52 2HB ASP 7 HB1 ASP 7 18.533 1.691 37.462 53 H GLU 8 HN GLU 8 16.359 -0.020 35.050 54 HA GLU 8 HA GLU 8 16.382 -2.706 34.105 55 1HB GLU 8 HB2 GLU 8 14.734 -0.617 33.685 56 2HB GLU 8 HB1 GLU 8 15.695 -0.522 32.216 57 1HG GLU 8 HG2 GLU 8 14.410 -3.084 33.094 58 2HG GLU 8 HG1 GLU 8 13.537 -1.878 32.151 59 H MET 9 HN MET 9 17.784 -3.712 32.811 60 HA MET 9 HA MET 9 20.211 -2.462 32.029 61 1HB MET 9 HB2 MET 9 20.763 -4.604 30.983 62 2HB MET 9 HB1 MET 9 20.109 -4.841 32.596 63 1HG MET 9 HG2 MET 9 18.860 -6.405 31.602 64 2HG MET 9 HG1 MET 9 17.859 -5.039 31.116 65 1HE MET 9 HE1 MET 9 16.748 -5.842 29.329 66 2HE MET 9 HE3 MET 9 17.416 -4.566 28.312 67 3HE MET 9 HE2 MET 9 17.368 -6.228 27.724 68 HA PRO 10 HA PRO 10 19.354 -0.707 28.080 69 1HB PRO 10 HB2 PRO 10 21.850 -1.999 27.116 70 2HB PRO 10 HB1 PRO 10 21.390 -0.293 27.112 71 1HG PRO 10 HG2 PRO 10 23.193 -1.217 28.843 72 2HG PRO 10 HG1 PRO 10 22.012 0.016 29.324 73 1HD PRO 10 HD2 PRO 10 22.040 -2.917 29.913 74 2HD PRO 10 HD1 PRO 10 21.568 -1.560 30.957 75 H SER 11 HN SER 11 17.766 -1.555 26.888 76 HA SER 11 HA SER 11 17.654 -4.311 26.148 77 1HB SER 11 HB2 SER 11 15.974 -1.903 25.458 78 2HB SER 11 HB1 SER 11 15.668 -3.484 24.738 79 HG SER 11 HG SER 11 15.418 -2.663 27.413 80 HA PRO 12 HA PRO 12 19.767 -4.487 22.288 81 1HB PRO 12 HB2 PRO 12 17.914 -5.792 20.701 82 2HB PRO 12 HB1 PRO 12 19.019 -6.586 21.825 83 1HG PRO 12 HG2 PRO 12 16.147 -5.847 22.191 84 2HG PRO 12 HG1 PRO 12 17.004 -7.312 22.708 85 1HD PRO 12 HD2 PRO 12 16.416 -5.355 24.440 86 2HD PRO 12 HD1 PRO 12 17.939 -6.263 24.555 87 H THR 13 HN THR 13 20.108 -2.915 20.862 88 HA THR 13 HA THR 13 18.112 -0.974 20.248 89 HB THR 13 HB THR 13 19.973 -0.231 18.557 90 HG1 THR 13 HG1 THR 13 21.242 -2.047 18.567 91 1HG2 THR 13 3HG2 THR 13 19.510 0.941 20.654 92 2HG2 THR 13 2HG2 THR 13 20.550 -0.198 21.508 93 3HG2 THR 13 1HG2 THR 13 21.235 0.876 20.289 94 H PHE 14 HN PHE 14 16.477 -1.403 18.934 95 HA PHE 14 HA PHE 14 17.049 -2.719 16.360 96 1HB PHE 14 HB2 PHE 14 14.901 -3.272 18.354 97 2HB PHE 14 HB1 PHE 14 14.482 -3.389 16.648 98 HD1 PHE 14 HD1 PHE 14 16.761 -4.689 19.253 99 HD2 PHE 14 HD2 PHE 14 15.128 -5.247 15.363 100 HE1 PHE 14 HE1 PHE 14 17.726 -6.952 19.177 101 HE2 PHE 14 HE2 PHE 14 16.087 -7.511 15.281 102 HZ PHE 14 HZ PHE 14 17.388 -8.366 17.189 103 H LEU 15 HN LEU 15 14.390 -0.925 17.948 104 HA LEU 15 HA LEU 15 13.462 0.294 15.583 105 1HB LEU 15 HB2 LEU 15 12.235 0.041 17.795 106 2HB LEU 15 HB1 LEU 15 13.158 1.419 18.364 107 HG LEU 15 HG LEU 15 11.706 1.821 15.822 108 1HD1 LEU 15 2HD1 LEU 15 10.075 0.500 17.066 109 2HD1 LEU 15 1HD1 LEU 15 10.242 1.585 18.447 110 3HD1 LEU 15 3HD1 LEU 15 9.565 2.183 16.932 111 1HD2 LEU 15 2HD2 LEU 15 12.085 3.423 18.349 112 2HD2 LEU 15 1HD2 LEU 15 12.929 3.638 16.816 113 3HD2 LEU 15 3HD2 LEU 15 11.204 3.984 16.927 114 H THR 16 HN THR 16 15.420 1.636 18.248 115 HA THR 16 HA THR 16 15.917 4.144 17.124 116 HB THR 16 HB THR 16 17.960 4.139 18.627 117 HG1 THR 16 HG1 THR 16 18.549 2.080 18.862 118 1HG2 THR 16 3HG2 THR 16 15.784 4.918 19.451 119 2HG2 THR 16 2HG2 THR 16 15.409 3.274 19.964 120 3HG2 THR 16 1HG2 THR 16 16.750 4.145 20.706 121 H GLN 17 HN GLN 17 17.467 1.048 16.555 122 HA GLN 17 HA GLN 17 19.817 1.947 15.314 123 1HB GLN 17 HB2 GLN 17 18.892 -0.479 16.030 124 2HB GLN 17 HB1 GLN 17 18.593 -0.554 14.299 125 1HG GLN 17 HG2 GLN 17 20.691 -1.321 14.214 126 2HG GLN 17 HG1 GLN 17 21.123 0.384 14.320 127 1HE2 GLN 17 1HE2 GLN 17 21.516 1.242 16.505 128 2HE2 GLN 17 2HE2 GLN 17 22.240 0.201 17.677 129 H VAL 18 HN VAL 18 16.608 1.249 13.986 130 HA VAL 18 HA VAL 18 16.770 1.161 11.361 131 HB VAL 18 HB VAL 18 14.679 1.543 12.768 132 1HG1 VAL 18 1HG1 VAL 18 15.414 3.823 13.553 133 2HG1 VAL 18 3HG1 VAL 18 15.031 4.413 11.937 134 3HG1 VAL 18 2HG1 VAL 18 13.764 3.718 12.946 135 1HG2 VAL 18 3HG2 VAL 18 14.682 1.134 10.344 136 2HG2 VAL 18 2HG2 VAL 18 13.380 2.216 10.838 137 3HG2 VAL 18 1HG2 VAL 18 14.823 2.869 10.065 138 H LYS 19 HN LYS 19 17.280 4.253 13.072 139 HA LYS 19 HA LYS 19 17.529 5.947 10.914 140 1HB LYS 19 HB2 LYS 19 18.756 5.935 13.644 141 2HB LYS 19 HB1 LYS 19 19.256 7.152 12.478 142 1HG LYS 19 HG2 LYS 19 17.403 8.341 12.783 143 2HG LYS 19 HG1 LYS 19 16.371 6.919 12.627 144 1HD LYS 19 HD2 LYS 19 17.935 7.272 15.138 145 2HD LYS 19 HD1 LYS 19 16.511 8.282 14.886 146 1HE LYS 19 HE2 LYS 19 16.408 5.301 14.546 147 2HE LYS 19 HE1 LYS 19 16.207 6.057 16.125 148 1HZ LYS 19 HZ1 LYS 19 14.360 7.358 15.169 149 2HZ LYS 19 HZ3 LYS 19 14.516 6.491 13.724 150 3HZ LYS 19 HZ2 LYS 19 14.070 5.692 15.145 151 H GLU 20 HN GLU 20 20.192 4.204 12.520 152 HA GLU 20 HA GLU 20 22.176 4.979 10.670 153 1HB GLU 20 HB2 GLU 20 22.150 2.483 12.372 154 2HB GLU 20 HB1 GLU 20 23.562 3.254 11.666 155 1HG GLU 20 HG2 GLU 20 23.778 4.169 13.694 156 2HG GLU 20 HG1 GLU 20 22.557 5.300 13.115 157 H SER 21 HN SER 21 19.822 2.426 10.688 158 HA SER 21 HA SER 21 20.945 0.743 8.723 159 1HB SER 21 HB2 SER 21 18.891 0.380 10.317 160 2HB SER 21 HB1 SER 21 17.973 1.077 8.982 161 HG SER 21 HG SER 21 18.100 -1.197 8.826 162 H LEU 22 HN LEU 22 18.723 3.496 8.501 163 HA LEU 22 HA LEU 22 18.388 3.344 5.675 164 1HB LEU 22 HB2 LEU 22 17.930 5.630 7.595 165 2HB LEU 22 HB1 LEU 22 17.435 5.630 5.913 166 HG LEU 22 HG LEU 22 16.447 3.350 7.504 167 1HD1 LEU 22 2HD1 LEU 22 16.299 5.167 9.148 168 2HD1 LEU 22 1HD1 LEU 22 15.387 6.130 7.987 169 3HD1 LEU 22 3HD1 LEU 22 14.710 4.625 8.610 170 1HD2 LEU 22 1HD2 LEU 22 15.792 3.711 5.184 171 2HD2 LEU 22 3HD2 LEU 22 14.399 3.845 6.259 172 3HD2 LEU 22 2HD2 LEU 22 15.149 5.300 5.603 173 H SER 23 HN SER 23 20.581 5.114 7.812 174 HA SER 23 HA SER 23 21.690 6.854 5.925 175 1HB SER 23 HB2 SER 23 23.042 5.608 8.332 176 2HB SER 23 HB1 SER 23 23.610 7.031 7.459 177 HG SER 23 HG SER 23 21.526 6.767 9.264 178 H SER 24 HN SER 24 22.945 3.706 7.039 179 HA SER 24 HA SER 24 25.032 3.559 5.140 180 1HB SER 24 HB2 SER 24 23.618 1.305 6.590 181 2HB SER 24 HB1 SER 24 25.170 1.182 5.763 182 HG SER 24 HG SER 24 24.533 2.357 8.200 183 H TYR 25 HN TYR 25 21.644 3.096 4.829 184 HA TYR 25 HA TYR 25 21.778 1.316 2.564 185 1HB TYR 25 HB2 TYR 25 19.838 1.383 4.155 186 2HB TYR 25 HB1 TYR 25 19.429 2.969 3.513 187 HD1 TYR 25 HD1 TYR 25 18.624 3.194 1.184 188 HD2 TYR 25 HD2 TYR 25 19.336 -0.617 2.937 189 HE1 TYR 25 HE1 TYR 25 17.307 2.134 -0.599 190 HE2 TYR 25 HE2 TYR 25 18.022 -1.687 1.156 191 HH TYR 25 HH TYR 25 17.429 -0.694 -1.547 192 H TRP 26 HN TRP 26 21.225 4.774 3.106 193 HA TRP 26 HA TRP 26 20.696 5.479 0.431 194 1HB TRP 26 HB2 TRP 26 21.329 6.896 2.935 195 2HB TRP 26 HB1 TRP 26 21.804 7.748 1.471 196 HD1 TRP 26 HD1 TRP 26 20.005 9.470 0.924 197 HE1 TRP 26 HE1 TRP 26 17.432 9.520 0.903 198 HE3 TRP 26 HE3 TRP 26 19.077 4.771 2.722 199 HZ2 TRP 26 HZ2 TRP 26 15.294 7.800 1.560 200 HZ3 TRP 26 HZ3 TRP 26 16.743 4.054 2.997 201 HH2 TRP 26 HH2 TRP 26 14.890 5.538 2.428 202 H GLU 27 HN GLU 27 23.683 5.128 2.239 203 HA GLU 27 HA GLU 27 25.588 6.372 0.772 204 1HB GLU 27 HB2 GLU 27 25.781 3.549 1.845 205 2HB GLU 27 HB1 GLU 27 27.146 4.557 1.389 206 1HG GLU 27 HG2 GLU 27 25.291 4.847 3.718 207 2HG GLU 27 HG1 GLU 27 27.048 4.718 3.707 208 H SER 28 HN SER 28 24.541 3.031 0.127 209 HA SER 28 HA SER 28 25.663 3.179 -2.559 210 1HB SER 28 HB2 SER 28 25.866 1.168 -0.919 211 2HB SER 28 HB1 SER 28 24.228 0.782 -1.448 212 HG SER 28 HG SER 28 24.949 0.352 -3.434 213 H ALA 29 HN ALA 29 22.694 3.854 -1.102 214 HA ALA 29 HA ALA 29 20.844 2.797 -2.935 215 1HB ALA 29 HB3 ALA 29 20.162 3.736 -0.798 216 2HB ALA 29 HB1 ALA 29 19.299 4.507 -2.127 217 3HB ALA 29 HB2 ALA 29 20.636 5.345 -1.340 218 H LYS 30 HN LYS 30 22.866 5.673 -3.110 219 HA LYS 30 HA LYS 30 21.594 7.091 -5.111 220 1HB LYS 30 HB2 LYS 30 24.033 7.266 -3.781 221 2HB LYS 30 HB1 LYS 30 24.477 7.119 -5.476 222 1HG LYS 30 HG2 LYS 30 22.412 9.096 -4.586 223 2HG LYS 30 HG1 LYS 30 24.136 9.463 -4.494 224 1HD LYS 30 HD2 LYS 30 23.208 8.356 -7.063 225 2HD LYS 30 HD1 LYS 30 22.587 9.957 -6.660 226 1HE LYS 30 HE2 LYS 30 24.846 10.788 -6.360 227 2HE LYS 30 HE1 LYS 30 25.502 9.180 -6.657 228 1HZ LYS 30 HZ3 LYS 30 23.784 10.318 -8.726 229 2HZ LYS 30 HZ2 LYS 30 25.321 10.999 -8.547 230 3HZ LYS 30 HZ1 LYS 30 25.163 9.348 -8.875 231 H THR 31 HN THR 31 24.179 4.685 -5.597 232 HA THR 31 HA THR 31 24.255 4.645 -8.350 233 HB THR 31 HB THR 31 25.044 2.306 -8.180 234 HG1 THR 31 HG1 THR 31 24.026 1.276 -6.632 235 1HG2 THR 31 1HG2 THR 31 26.553 4.227 -7.562 236 2HG2 THR 31 3HG2 THR 31 26.207 3.836 -5.877 237 3HG2 THR 31 2HG2 THR 31 26.992 2.646 -6.916 238 H ALA 32 HN ALA 32 21.956 3.138 -6.169 239 HA ALA 32 HA ALA 32 20.588 1.554 -8.061 240 1HB ALA 32 HB3 ALA 32 19.079 2.768 -5.801 241 2HB ALA 32 HB2 ALA 32 19.081 1.108 -6.400 242 3HB ALA 32 HB1 ALA 32 20.428 1.695 -5.423 243 H ALA 33 HN ALA 33 20.109 4.906 -6.958 244 HA ALA 33 HA ALA 33 17.766 5.544 -8.270 245 1HB ALA 33 HB2 ALA 33 19.107 7.020 -6.718 246 2HB ALA 33 HB1 ALA 33 20.104 7.429 -8.113 247 3HB ALA 33 HB3 ALA 33 18.385 7.825 -8.111 248 H GLN 34 HN GLN 34 21.055 5.856 -9.586 249 HA GLN 34 HA GLN 34 20.216 6.611 -12.180 250 1HB GLN 34 HB2 GLN 34 22.782 5.347 -11.198 251 2HB GLN 34 HB1 GLN 34 22.538 5.873 -12.856 252 1HG GLN 34 HG2 GLN 34 23.620 7.682 -11.972 253 2HG GLN 34 HG1 GLN 34 21.937 8.154 -11.746 254 1HE2 GLN 34 1HE2 GLN 34 24.610 6.516 -10.084 255 2HE2 GLN 34 2HE2 GLN 34 24.212 7.100 -8.507 256 H ASN 35 HN ASN 35 20.862 3.525 -10.621 257 HA ASN 35 HA ASN 35 20.710 1.887 -12.906 258 1HB ASN 35 HB2 ASN 35 21.435 1.346 -10.432 259 2HB ASN 35 HB1 ASN 35 19.743 0.893 -10.255 260 1HD2 ASN 35 1HD2 ASN 35 18.912 -0.793 -11.600 261 2HD2 ASN 35 2HD2 ASN 35 19.973 -1.997 -12.240 262 H LEU 36 HN LEU 36 18.262 3.429 -11.022 263 HA LEU 36 HA LEU 36 16.023 1.870 -11.622 264 1HB LEU 36 HB2 LEU 36 16.178 3.875 -10.039 265 2HB LEU 36 HB1 LEU 36 16.022 4.885 -11.462 266 HG LEU 36 HG LEU 36 13.879 3.158 -11.696 267 1HD1 LEU 36 2HD1 LEU 36 14.301 2.327 -9.422 268 2HD1 LEU 36 1HD1 LEU 36 14.137 3.973 -8.805 269 3HD1 LEU 36 3HD1 LEU 36 12.757 3.167 -9.552 270 1HD2 LEU 36 1HD2 LEU 36 13.880 5.551 -12.164 271 2HD2 LEU 36 3HD2 LEU 36 12.537 5.116 -11.107 272 3HD2 LEU 36 2HD2 LEU 36 13.968 5.898 -10.437 273 H TYR 37 HN TYR 37 17.522 4.594 -13.254 274 HA TYR 37 HA TYR 37 15.829 4.634 -15.534 275 1HB TYR 37 HB2 TYR 37 18.700 5.565 -15.256 276 2HB TYR 37 HB1 TYR 37 17.621 5.972 -16.585 277 HD1 TYR 37 HD1 TYR 37 18.586 6.720 -13.176 278 HD2 TYR 37 HD2 TYR 37 15.655 7.443 -16.172 279 HE1 TYR 37 HE1 TYR 37 17.793 8.676 -11.917 280 HE2 TYR 37 HE2 TYR 37 14.853 9.403 -14.922 281 HH TYR 37 HH TYR 37 16.316 11.034 -12.919 282 H GLU 38 HN GLU 38 18.805 2.934 -14.703 283 HA GLU 38 HA GLU 38 19.441 1.867 -17.209 284 1HB GLU 38 HB2 GLU 38 20.112 1.198 -14.412 285 2HB GLU 38 HB1 GLU 38 20.324 -0.098 -15.578 286 1HG GLU 38 HG2 GLU 38 22.218 0.784 -16.297 287 2HG GLU 38 HG1 GLU 38 21.433 2.331 -16.616 288 H LYS 39 HN LYS 39 17.806 0.136 -14.573 289 HA LYS 39 HA LYS 39 17.071 -2.098 -16.072 290 1HB LYS 39 HB2 LYS 39 15.448 -2.553 -14.252 291 2HB LYS 39 HB1 LYS 39 17.062 -2.177 -13.668 292 1HG LYS 39 HG2 LYS 39 16.272 -0.529 -12.423 293 2HG LYS 39 HG1 LYS 39 15.538 0.233 -13.833 294 1HD LYS 39 HD2 LYS 39 14.192 -2.112 -12.566 295 2HD LYS 39 HD1 LYS 39 14.056 -0.524 -11.812 296 1HE LYS 39 HE2 LYS 39 13.386 -1.077 -14.698 297 2HE LYS 39 HE1 LYS 39 12.201 -1.104 -13.394 298 1HZ LYS 39 HZ2 LYS 39 12.877 1.234 -12.910 299 2HZ LYS 39 HZ1 LYS 39 13.792 1.219 -14.331 300 3HZ LYS 39 HZ3 LYS 39 12.114 1.023 -14.404 301 H THR 40 HN THR 40 15.805 1.056 -16.324 302 HA THR 40 HA THR 40 13.095 0.481 -16.874 303 HB THR 40 HB THR 40 14.842 2.728 -17.895 304 HG1 THR 40 HG1 THR 40 14.626 2.895 -15.712 305 1HG2 THR 40 3HG2 THR 40 11.857 2.415 -18.004 306 2HG2 THR 40 2HG2 THR 40 12.691 3.959 -18.177 307 3HG2 THR 40 1HG2 THR 40 12.969 2.670 -19.348 308 H TYR 41 HN TYR 41 15.836 0.962 -19.051 309 HA TYR 41 HA TYR 41 14.469 0.237 -21.423 310 1HB TYR 41 HB2 TYR 41 17.448 -0.026 -21.025 311 2HB TYR 41 HB1 TYR 41 16.574 0.329 -22.512 312 HD1 TYR 41 HD1 TYR 41 18.376 1.712 -19.795 313 HD2 TYR 41 HD2 TYR 41 15.252 2.578 -22.551 314 HE1 TYR 41 HE1 TYR 41 18.694 4.116 -19.391 315 HE2 TYR 41 HE2 TYR 41 15.564 4.984 -22.158 316 HH TYR 41 HH TYR 41 17.996 6.382 -21.122 317 H LEU 42 HN LEU 42 16.352 -1.618 -19.082 318 HA LEU 42 HA LEU 42 16.581 -3.999 -20.577 319 1HB LEU 42 HB2 LEU 42 16.829 -3.289 -17.690 320 2HB LEU 42 HB1 LEU 42 16.770 -4.981 -18.142 321 HG LEU 42 HG LEU 42 18.676 -3.656 -19.816 322 1HD1 LEU 42 2HD1 LEU 42 18.815 -3.002 -16.901 323 2HD1 LEU 42 1HD1 LEU 42 20.291 -3.207 -17.844 324 3HD1 LEU 42 3HD1 LEU 42 19.121 -1.970 -18.298 325 1HD2 LEU 42 3HD2 LEU 42 18.614 -6.048 -19.273 326 2HD2 LEU 42 2HD2 LEU 42 20.176 -5.328 -18.886 327 3HD2 LEU 42 1HD2 LEU 42 19.021 -5.673 -17.600 328 HA PRO 43 HA PRO 43 12.467 -5.635 -19.974 329 1HB PRO 43 HB2 PRO 43 12.705 -7.761 -21.555 330 2HB PRO 43 HB1 PRO 43 12.781 -6.127 -22.224 331 1HG PRO 43 HG2 PRO 43 14.974 -8.075 -21.727 332 2HG PRO 43 HG1 PRO 43 14.814 -6.863 -23.008 333 1HD PRO 43 HD2 PRO 43 16.298 -6.624 -20.603 334 2HD PRO 43 HD1 PRO 43 15.969 -5.345 -21.787 335 H ALA 44 HN ALA 44 14.328 -6.190 -17.819 336 HA ALA 44 HA ALA 44 14.560 -8.945 -17.249 337 1HB ALA 44 HB2 ALA 44 14.512 -6.658 -15.289 338 2HB ALA 44 HB1 ALA 44 15.179 -8.269 -15.022 339 3HB ALA 44 HB3 ALA 44 15.929 -7.187 -16.196 340 H VAL 45 HN VAL 45 11.847 -6.892 -17.119 341 HA VAL 45 HA VAL 45 10.241 -7.329 -15.115 342 HB VAL 45 HB VAL 45 8.369 -7.961 -16.915 343 1HG1 VAL 45 3HG1 VAL 45 8.482 -5.899 -15.636 344 2HG1 VAL 45 2HG1 VAL 45 9.741 -5.285 -16.706 345 3HG1 VAL 45 1HG1 VAL 45 8.113 -5.561 -17.326 346 1HG2 VAL 45 2HG2 VAL 45 10.469 -8.189 -18.562 347 2HG2 VAL 45 1HG2 VAL 45 8.885 -7.639 -19.102 348 3HG2 VAL 45 3HG2 VAL 45 10.152 -6.465 -18.747 349 H ASP 46 HN ASP 46 10.179 -9.842 -17.671 350 HA ASP 46 HA ASP 46 8.966 -11.704 -15.835 351 1HB ASP 46 HB2 ASP 46 9.859 -11.987 -18.706 352 2HB ASP 46 HB1 ASP 46 9.061 -13.266 -17.795 353 H GLU 47 HN GLU 47 12.213 -11.110 -17.040 354 HA GLU 47 HA GLU 47 13.273 -13.685 -16.449 355 1HB GLU 47 HB2 GLU 47 14.538 -10.978 -16.827 356 2HB GLU 47 HB1 GLU 47 15.497 -12.391 -16.408 357 1HG GLU 47 HG2 GLU 47 15.695 -12.592 -18.630 358 2HG GLU 47 HG1 GLU 47 14.117 -13.367 -18.499 359 H LYS 48 HN LYS 48 13.749 -10.610 -14.687 360 HA LYS 48 HA LYS 48 14.919 -11.740 -12.407 361 1HB LYS 48 HB2 LYS 48 13.560 -9.146 -12.998 362 2HB LYS 48 HB1 LYS 48 13.905 -9.552 -11.324 363 1HG LYS 48 HG2 LYS 48 16.069 -9.738 -13.370 364 2HG LYS 48 HG1 LYS 48 15.610 -8.169 -12.706 365 1HD LYS 48 HD2 LYS 48 16.460 -8.636 -10.654 366 2HD LYS 48 HD1 LYS 48 16.045 -10.348 -10.754 367 1HE LYS 48 HE2 LYS 48 18.163 -9.315 -12.566 368 2HE LYS 48 HE1 LYS 48 18.555 -9.500 -10.857 369 1HZ LYS 48 HZ3 LYS 48 17.368 -11.682 -12.474 370 2HZ LYS 48 HZ2 LYS 48 19.037 -11.468 -12.311 371 3HZ LYS 48 HZ1 LYS 48 18.092 -11.794 -10.948 372 H LEU 49 HN LEU 49 11.584 -11.522 -13.382 373 HA LEU 49 HA LEU 49 10.353 -11.840 -10.863 374 1HB LEU 49 HB2 LEU 49 9.516 -11.665 -13.556 375 2HB LEU 49 HB1 LEU 49 8.881 -13.180 -12.949 376 HG LEU 49 HG LEU 49 7.285 -11.313 -12.723 377 1HD1 LEU 49 1HD1 LEU 49 7.225 -13.242 -11.190 378 2HD1 LEU 49 3HD1 LEU 49 8.253 -12.353 -10.065 379 3HD1 LEU 49 2HD1 LEU 49 6.637 -11.757 -10.442 380 1HD2 LEU 49 2HD2 LEU 49 9.112 -9.603 -12.294 381 2HD2 LEU 49 1HD2 LEU 49 7.657 -9.468 -11.308 382 3HD2 LEU 49 3HD2 LEU 49 9.119 -10.181 -10.628 383 H ARG 50 HN ARG 50 10.862 -14.260 -13.439 384 HA ARG 50 HA ARG 50 10.347 -16.497 -11.791 385 1HB ARG 50 HB2 ARG 50 11.858 -16.223 -14.393 386 2HB ARG 50 HB1 ARG 50 11.547 -17.771 -13.620 387 1HG ARG 50 HG2 ARG 50 9.402 -17.815 -14.273 388 2HG ARG 50 HG1 ARG 50 9.174 -16.086 -13.999 389 1HD ARG 50 HD2 ARG 50 10.694 -15.830 -16.097 390 2HD ARG 50 HD1 ARG 50 10.234 -17.502 -16.412 391 HE ARG 50 HE ARG 50 7.880 -16.146 -15.935 392 1HH1 ARG 50 1HH1 ARG 50 10.499 -15.929 -18.250 393 2HH1 ARG 50 2HH1 ARG 50 9.493 -15.302 -19.512 394 1HH2 ARG 50 1HH2 ARG 50 6.562 -15.319 -17.601 395 2HH2 ARG 50 2HH2 ARG 50 7.258 -14.955 -19.144 396 H ASP 51 HN ASP 51 13.232 -14.626 -12.491 397 HA ASP 51 HA ASP 51 15.213 -16.357 -11.576 398 1HB ASP 51 HB2 ASP 51 15.685 -14.239 -12.746 399 2HB ASP 51 HB1 ASP 51 15.131 -13.340 -11.339 400 H LEU 52 HN LEU 52 13.638 -13.738 -9.734 401 HA LEU 52 HA LEU 52 14.730 -14.549 -7.243 402 1HB LEU 52 HB2 LEU 52 12.630 -12.616 -8.116 403 2HB LEU 52 HB1 LEU 52 12.710 -13.058 -6.421 404 HG LEU 52 HG LEU 52 15.205 -12.395 -6.580 405 1HD1 LEU 52 3HD1 LEU 52 15.221 -12.256 -9.055 406 2HD1 LEU 52 2HD1 LEU 52 14.142 -10.864 -8.949 407 3HD1 LEU 52 1HD1 LEU 52 15.766 -10.776 -8.265 408 1HD2 LEU 52 1HD2 LEU 52 13.506 -11.161 -5.319 409 2HD2 LEU 52 3HD2 LEU 52 14.663 -10.074 -6.088 410 3HD2 LEU 52 2HD2 LEU 52 13.057 -10.287 -6.784 411 H TYR 53 HN TYR 53 11.960 -15.562 -9.064 412 HA TYR 53 HA TYR 53 10.395 -16.589 -6.933 413 1HB TYR 53 HB2 TYR 53 10.260 -16.516 -9.806 414 2HB TYR 53 HB1 TYR 53 9.899 -18.144 -9.243 415 HD1 TYR 53 HD1 TYR 53 8.187 -18.260 -7.232 416 HD2 TYR 53 HD2 TYR 53 8.534 -14.980 -9.921 417 HE1 TYR 53 HE1 TYR 53 5.898 -17.562 -6.669 418 HE2 TYR 53 HE2 TYR 53 6.246 -14.274 -9.365 419 HH TYR 53 HH TYR 53 4.032 -15.895 -8.276 420 H SER 54 HN SER 54 12.942 -17.978 -8.959 421 HA SER 54 HA SER 54 12.687 -20.656 -8.154 422 1HB SER 54 HB2 SER 54 15.176 -19.160 -9.021 423 2HB SER 54 HB1 SER 54 15.022 -20.914 -8.934 424 HG SER 54 HG SER 54 13.729 -20.906 -10.657 425 H LYS 55 HN LYS 55 14.771 -18.056 -6.885 426 HA LYS 55 HA LYS 55 15.971 -19.561 -4.830 427 1HB LYS 55 HB2 LYS 55 15.526 -16.611 -5.231 428 2HB LYS 55 HB1 LYS 55 16.283 -17.224 -3.767 429 1HG LYS 55 HG2 LYS 55 18.166 -16.893 -4.951 430 2HG LYS 55 HG1 LYS 55 17.779 -18.488 -5.597 431 1HD LYS 55 HD2 LYS 55 16.588 -17.388 -7.473 432 2HD LYS 55 HD1 LYS 55 17.113 -15.824 -6.847 433 1HE LYS 55 HE2 LYS 55 19.459 -16.550 -7.097 434 2HE LYS 55 HE1 LYS 55 18.894 -18.068 -7.794 435 1HZ LYS 55 HZ2 LYS 55 17.773 -16.692 -9.532 436 2HZ LYS 55 HZ1 LYS 55 18.590 -15.343 -8.923 437 3HZ LYS 55 HZ3 LYS 55 19.462 -16.638 -9.573 438 H SER 56 HN SER 56 13.058 -17.542 -4.886 439 HA SER 56 HA SER 56 12.436 -17.699 -2.152 440 1HB SER 56 HB2 SER 56 11.456 -16.140 -3.931 441 2HB SER 56 HB1 SER 56 10.370 -17.470 -4.333 442 HG SER 56 HG SER 56 10.538 -15.960 -1.965 443 H THR 57 HN THR 57 12.063 -20.107 -4.645 444 HA THR 57 HA THR 57 9.888 -21.551 -3.667 445 HB THR 57 HB THR 57 12.350 -22.729 -4.971 446 HG1 THR 57 HG1 THR 57 10.085 -21.486 -6.140 447 1HG2 THR 57 3HG2 THR 57 9.481 -23.630 -4.979 448 2HG2 THR 57 2HG2 THR 57 10.771 -24.325 -5.959 449 3HG2 THR 57 1HG2 THR 57 10.840 -24.439 -4.200 450 H ALA 58 HN ALA 58 13.355 -21.908 -2.903 451 HA ALA 58 HA ALA 58 12.762 -23.867 -0.840 452 1HB ALA 58 HB2 ALA 58 14.710 -24.206 -2.264 453 2HB ALA 58 HB1 ALA 58 15.398 -22.685 -1.701 454 3HB ALA 58 HB3 ALA 58 15.185 -24.026 -0.577 455 H ALA 59 HN ALA 59 14.008 -20.546 -1.053 456 HA ALA 59 HA ALA 59 14.588 -20.194 1.673 457 1HB ALA 59 HB1 ALA 59 14.520 -17.781 1.180 458 2HB ALA 59 HB2 ALA 59 13.830 -18.142 -0.402 459 3HB ALA 59 HB3 ALA 59 15.459 -18.690 -0.005 460 H MET 60 HN MET 60 11.722 -19.054 -0.147 461 HA MET 60 HA MET 60 10.314 -18.128 2.098 462 1HB MET 60 HB2 MET 60 9.885 -17.676 -0.401 463 2HB MET 60 HB1 MET 60 8.951 -19.165 -0.373 464 1HG MET 60 HG2 MET 60 7.518 -17.231 -0.103 465 2HG MET 60 HG1 MET 60 7.499 -18.236 1.345 466 1HE MET 60 HE1 MET 60 8.409 -17.615 3.600 467 2HE MET 60 HE3 MET 60 8.286 -15.925 4.094 468 3HE MET 60 HE2 MET 60 6.905 -16.729 3.347 469 H SER 61 HN SER 61 10.707 -21.363 0.866 470 HA SER 61 HA SER 61 8.385 -22.520 2.006 471 1HB SER 61 HB2 SER 61 9.783 -23.586 0.228 472 2HB SER 61 HB1 SER 61 11.025 -23.889 1.443 473 HG SER 61 HG SER 61 9.870 -25.473 2.232 474 H THR 62 HN THR 62 11.271 -21.370 3.431 475 HA THR 62 HA THR 62 10.926 -23.001 5.840 476 HB THR 62 HB THR 62 13.108 -20.981 5.288 477 HG1 THR 62 HG1 THR 62 13.594 -22.380 3.769 478 1HG2 THR 62 1HG2 THR 62 12.922 -23.298 7.194 479 2HG2 THR 62 3HG2 THR 62 14.409 -22.420 6.837 480 3HG2 THR 62 2HG2 THR 62 13.051 -21.585 7.592 481 H TYR 63 HN TYR 63 11.247 -19.595 4.856 482 HA TYR 63 HA TYR 63 10.572 -18.480 7.341 483 1HB TYR 63 HB2 TYR 63 10.430 -17.330 4.549 484 2HB TYR 63 HB1 TYR 63 10.188 -16.391 6.018 485 HD1 TYR 63 HD1 TYR 63 12.160 -16.609 7.785 486 HD2 TYR 63 HD2 TYR 63 12.539 -17.369 3.616 487 HE1 TYR 63 HE1 TYR 63 14.584 -16.230 7.943 488 HE2 TYR 63 HE2 TYR 63 14.964 -16.993 3.762 489 HH TYR 63 HH TYR 63 16.720 -17.206 6.144 490 H THR 64 HN THR 64 8.614 -20.132 5.084 491 HA THR 64 HA THR 64 6.235 -18.608 5.432 492 HB THR 64 HB THR 64 5.187 -20.974 4.802 493 HG1 THR 64 HG1 THR 64 6.689 -22.405 4.585 494 1HG2 THR 64 3HG2 THR 64 6.504 -18.949 3.110 495 2HG2 THR 64 2HG2 THR 64 6.106 -20.492 2.355 496 3HG2 THR 64 1HG2 THR 64 4.838 -19.527 3.113 497 H GLY 65 HN GLY 65 7.163 -21.776 6.771 498 1HA GLY 65 HA1 GLY 65 6.547 -22.797 8.742 499 2HA GLY 65 HA2 GLY 65 5.096 -21.800 8.716 500 H ILE 66 HN ILE 66 8.413 -20.625 8.688 501 HA ILE 66 HA ILE 66 8.666 -20.102 11.452 502 HB ILE 66 HB ILE 66 10.155 -19.321 9.008 503 1HG1 ILE 66 2HG1 ILE 66 12.066 -19.966 10.595 504 2HG1 ILE 66 1HG1 ILE 66 10.807 -20.470 11.717 505 1HG2 ILE 66 3HG2 ILE 66 10.203 -17.687 11.523 506 2HG2 ILE 66 2HG2 ILE 66 11.615 -17.805 10.472 507 3HG2 ILE 66 1HG2 ILE 66 10.105 -17.142 9.849 508 1HD1 ILE 66 3HD1 ILE 66 9.957 -21.884 9.717 509 2HD1 ILE 66 2HD1 ILE 66 11.590 -21.649 9.094 510 3HD1 ILE 66 1HD1 ILE 66 11.345 -22.434 10.654 511 H PHE 67 HN PHE 67 8.051 -17.815 8.765 512 HA PHE 67 HA PHE 67 7.548 -15.544 10.267 513 1HB PHE 67 HB2 PHE 67 6.443 -16.430 7.609 514 2HB PHE 67 HB1 PHE 67 5.978 -14.894 8.324 515 HD1 PHE 67 HD1 PHE 67 7.051 -14.544 5.831 516 HD2 PHE 67 HD2 PHE 67 9.202 -15.309 9.425 517 HE1 PHE 67 HE1 PHE 67 9.050 -13.493 4.856 518 HE2 PHE 67 HE2 PHE 67 11.202 -14.257 8.456 519 HZ PHE 67 HZ PHE 67 11.128 -13.348 6.169 520 H THR 68 HN THR 68 5.116 -17.873 9.094 521 HA THR 68 HA THR 68 2.943 -16.693 10.439 522 HB THR 68 HB THR 68 1.748 -18.802 9.980 523 HG1 THR 68 HG1 THR 68 3.093 -20.444 10.126 524 1HG2 THR 68 1HG2 THR 68 3.424 -17.829 7.682 525 2HG2 THR 68 3HG2 THR 68 2.023 -18.890 7.535 526 3HG2 THR 68 2HG2 THR 68 1.826 -17.251 8.154 527 H ASP 69 HN ASP 69 5.486 -18.664 11.602 528 HA ASP 69 HA ASP 69 4.246 -20.024 13.707 529 1HB ASP 69 HB2 ASP 69 6.738 -20.060 12.831 530 2HB ASP 69 HB1 ASP 69 6.981 -18.880 14.113 531 H GLN 70 HN GLN 70 5.997 -16.912 13.890 532 HA GLN 70 HA GLN 70 5.077 -16.330 16.518 533 1HB GLN 70 HB2 GLN 70 7.135 -15.408 15.126 534 2HB GLN 70 HB1 GLN 70 5.984 -14.151 14.693 535 1HG GLN 70 HG2 GLN 70 7.143 -13.320 16.544 536 2HG GLN 70 HG1 GLN 70 5.587 -13.856 17.177 537 1HE2 GLN 70 1HE2 GLN 70 5.520 -15.474 18.667 538 2HE2 GLN 70 2HE2 GLN 70 6.925 -16.223 19.337 539 H VAL 71 HN VAL 71 3.723 -15.836 13.376 540 HA VAL 71 HA VAL 71 1.977 -13.680 13.996 541 HB VAL 71 HB VAL 71 1.763 -15.809 11.852 542 1HG1 VAL 71 3HG1 VAL 71 0.122 -13.339 12.353 543 2HG1 VAL 71 2HG1 VAL 71 0.217 -14.111 10.770 544 3HG1 VAL 71 1HG1 VAL 71 -0.432 -15.001 12.147 545 1HG2 VAL 71 1HG2 VAL 71 3.673 -13.975 11.970 546 2HG2 VAL 71 3HG2 VAL 71 2.921 -14.436 10.443 547 3HG2 VAL 71 2HG2 VAL 71 2.406 -12.966 11.272 548 H LEU 72 HN LEU 72 1.478 -17.178 13.689 549 HA LEU 72 HA LEU 72 -1.158 -17.287 14.615 550 1HB LEU 72 HB2 LEU 72 1.072 -19.209 14.295 551 2HB LEU 72 HB1 LEU 72 -0.162 -19.664 15.454 552 HG LEU 72 HG LEU 72 -1.840 -19.190 13.547 553 1HD1 LEU 72 2HD1 LEU 72 -0.166 -18.071 12.094 554 2HD1 LEU 72 1HD1 LEU 72 0.648 -19.624 11.902 555 3HD1 LEU 72 3HD1 LEU 72 -1.000 -19.413 11.310 556 1HD2 LEU 72 3HD2 LEU 72 -1.369 -21.409 14.440 557 2HD2 LEU 72 2HD2 LEU 72 -1.568 -21.462 12.688 558 3HD2 LEU 72 1HD2 LEU 72 0.046 -21.539 13.395 559 H SER 73 HN SER 73 1.948 -17.224 16.275 560 HA SER 73 HA SER 73 1.055 -17.850 18.858 561 1HB SER 73 HB2 SER 73 3.195 -17.439 19.488 562 2HB SER 73 HB1 SER 73 3.497 -17.263 17.761 563 HG SER 73 HG SER 73 3.388 -15.067 17.970 564 H VAL 74 HN VAL 74 1.096 -14.802 17.111 565 HA VAL 74 HA VAL 74 0.241 -13.206 19.323 566 HB VAL 74 HB VAL 74 -0.018 -12.606 16.369 567 1HG1 VAL 74 1HG1 VAL 74 -0.331 -10.944 18.841 568 2HG1 VAL 74 3HG1 VAL 74 0.148 -10.210 17.311 569 3HG1 VAL 74 2HG1 VAL 74 -1.390 -11.063 17.435 570 1HG2 VAL 74 3HG2 VAL 74 2.310 -12.857 17.977 571 2HG2 VAL 74 2HG2 VAL 74 2.183 -12.331 16.298 572 3HG2 VAL 74 1HG2 VAL 74 2.085 -11.148 17.602 573 H LEU 75 HN LEU 75 -1.369 -15.407 17.245 574 HA LEU 75 HA LEU 75 -3.940 -14.241 17.164 575 1HB LEU 75 HB2 LEU 75 -2.902 -16.308 15.889 576 2HB LEU 75 HB1 LEU 75 -3.610 -17.202 17.221 577 HG LEU 75 HG LEU 75 -5.817 -16.118 16.641 578 1HD1 LEU 75 2HD1 LEU 75 -4.196 -15.213 14.275 579 2HD1 LEU 75 1HD1 LEU 75 -5.956 -15.329 14.247 580 3HD1 LEU 75 3HD1 LEU 75 -5.162 -14.232 15.377 581 1HD2 LEU 75 1HD2 LEU 75 -5.265 -18.422 16.025 582 2HD2 LEU 75 3HD2 LEU 75 -6.262 -17.644 14.796 583 3HD2 LEU 75 2HD2 LEU 75 -4.530 -17.846 14.529 584 H LYS 76 HN LYS 76 -2.341 -16.376 19.415 585 HA LYS 76 HA LYS 76 -4.616 -16.838 21.075 586 1HB LYS 76 HB2 LYS 76 -2.420 -18.205 20.891 587 2HB LYS 76 HB1 LYS 76 -1.774 -17.037 22.035 588 1HG LYS 76 HG2 LYS 76 -3.445 -17.643 23.664 589 2HG LYS 76 HG1 LYS 76 -4.224 -18.724 22.507 590 1HD LYS 76 HD2 LYS 76 -2.260 -20.141 22.458 591 2HD LYS 76 HD1 LYS 76 -1.397 -19.025 23.520 592 1HE LYS 76 HE2 LYS 76 -2.935 -19.480 25.322 593 2HE LYS 76 HE1 LYS 76 -3.928 -20.485 24.266 594 1HZ LYS 76 HZ3 LYS 76 -1.121 -21.064 25.051 595 2HZ LYS 76 HZ2 LYS 76 -2.494 -21.816 25.689 596 3HZ LYS 76 HZ1 LYS 76 -2.093 -22.035 24.061 597 H GLY 77 HN GLY 77 -1.945 -14.515 21.126 598 1HA GLY 77 HA1 GLY 77 -1.561 -12.652 22.415 599 2HA GLY 77 HA2 GLY 77 -2.536 -13.401 23.669 600 H GLU 78 HN GLU 78 -2.885 -11.754 20.523 601 HA GLU 78 HA GLU 78 -5.541 -10.819 21.274 602 1HB GLU 78 HB2 GLU 78 -3.345 -9.246 21.869 603 2HB GLU 78 HB1 GLU 78 -3.898 -8.592 20.335 604 1HG GLU 78 HG2 GLU 78 -4.928 -7.384 22.125 605 2HG GLU 78 HG1 GLU 78 -6.156 -8.336 21.293 606 H GLU 79 HN GLU 79 -4.685 -12.590 19.203 607 HA GLU 79 HA GLU 79 -5.166 -13.032 17.037 608 1HB GLU 79 HB2 GLU 79 -6.408 -10.288 17.163 609 2HB GLU 79 HB1 GLU 79 -6.392 -11.244 15.690 610 1HG GLU 79 HG2 GLU 79 -7.653 -12.038 18.305 611 2HG GLU 79 HG1 GLU 79 -8.499 -11.480 16.863 No H/Q in entry = 611 Start of MODEL 66 1 H1 THR 1 HT1 THR 1 16.150 6.475 46.400 2 H2 THR 1 HT3 THR 1 14.493 6.038 46.447 3 H3 THR 1 HT2 THR 1 15.440 5.969 47.877 4 HA THR 1 HA THR 1 16.685 4.192 47.105 5 HB THR 1 HB THR 1 13.775 3.770 46.374 6 HG1 THR 1 HG1 THR 1 13.570 4.329 48.397 7 1HG2 THR 1 2HG2 THR 1 15.889 1.823 47.254 8 2HG2 THR 1 1HG2 THR 1 14.161 1.476 47.244 9 3HG2 THR 1 3HG2 THR 1 14.997 1.830 45.732 10 H GLN 2 HN GLN 2 14.289 4.956 44.553 11 HA GLN 2 HA GLN 2 16.344 4.323 42.550 12 1HB GLN 2 HB2 GLN 2 13.889 2.884 43.033 13 2HB GLN 2 HB1 GLN 2 13.878 3.582 41.419 14 1HG GLN 2 HG2 GLN 2 16.310 2.552 41.349 15 2HG GLN 2 HG1 GLN 2 15.625 1.483 42.572 16 1HE2 GLN 2 1HE2 GLN 2 14.494 -0.219 41.901 17 2HE2 GLN 2 2HE2 GLN 2 13.913 -0.467 40.294 18 H GLN 3 HN GLN 3 16.712 6.113 41.444 19 HA GLN 3 HA GLN 3 14.449 7.667 40.427 20 1HB GLN 3 HB2 GLN 3 16.610 8.649 42.230 21 2HB GLN 3 HB1 GLN 3 16.070 9.718 40.945 22 1HG GLN 3 HG2 GLN 3 14.377 10.350 42.210 23 2HG GLN 3 HG1 GLN 3 13.753 8.701 42.180 24 1HE2 GLN 3 1HE2 GLN 3 13.828 7.499 43.998 25 2HE2 GLN 3 2HE2 GLN 3 14.523 8.026 45.489 26 HA PRO 4 HA PRO 4 16.547 7.973 36.561 27 1HB PRO 4 HB2 PRO 4 16.740 10.729 36.180 28 2HB PRO 4 HB1 PRO 4 15.356 9.723 35.745 29 1HG PRO 4 HG2 PRO 4 15.781 11.422 38.160 30 2HG PRO 4 HG1 PRO 4 14.300 11.142 37.228 31 1HD PRO 4 HD2 PRO 4 14.701 9.950 39.588 32 2HD PRO 4 HD1 PRO 4 13.894 9.098 38.255 33 H GLN 5 HN GLN 5 17.800 10.019 39.152 34 HA GLN 5 HA GLN 5 20.356 10.468 37.958 35 1HB GLN 5 HB2 GLN 5 19.625 10.640 40.887 36 2HB GLN 5 HB1 GLN 5 21.001 11.397 40.097 37 1HG GLN 5 HG2 GLN 5 19.802 13.182 39.574 38 2HG GLN 5 HG1 GLN 5 18.551 12.195 38.821 39 1HE2 GLN 5 1HE2 GLN 5 16.725 11.649 39.987 40 2HE2 GLN 5 2HE2 GLN 5 16.337 12.370 41.508 41 H GLN 6 HN GLN 6 19.200 8.299 40.542 42 HA GLN 6 HA GLN 6 21.697 7.021 40.959 43 1HB GLN 6 HB2 GLN 6 18.875 6.171 41.621 44 2HB GLN 6 HB1 GLN 6 20.301 5.271 42.119 45 1HG GLN 6 HG2 GLN 6 20.387 6.520 43.937 46 2HG GLN 6 HG1 GLN 6 20.765 7.909 42.918 47 1HE2 GLN 6 1HE2 GLN 6 17.966 5.998 43.995 48 2HE2 GLN 6 2HE2 GLN 6 16.913 7.350 44.208 49 H ASP 7 HN ASP 7 18.786 6.011 39.164 50 HA ASP 7 HA ASP 7 19.947 3.595 38.203 51 1HB ASP 7 HB2 ASP 7 17.517 5.151 37.295 52 2HB ASP 7 HB1 ASP 7 17.969 3.576 36.651 53 H GLU 8 HN GLU 8 21.002 3.146 36.340 54 HA GLU 8 HA GLU 8 22.278 5.275 34.949 55 1HB GLU 8 HB2 GLU 8 23.311 3.529 33.593 56 2HB GLU 8 HB1 GLU 8 23.373 3.108 35.297 57 1HG GLU 8 HG2 GLU 8 22.702 1.109 34.503 58 2HG GLU 8 HG1 GLU 8 21.112 1.853 34.655 59 H MET 9 HN MET 9 22.167 5.772 32.701 60 HA MET 9 HA MET 9 19.512 5.999 31.715 61 1HB MET 9 HB2 MET 9 22.225 6.727 30.692 62 2HB MET 9 HB1 MET 9 20.872 6.724 29.569 63 1HG MET 9 HG2 MET 9 20.868 8.900 30.266 64 2HG MET 9 HG1 MET 9 19.717 8.183 31.391 65 1HE MET 9 HE2 MET 9 20.126 7.515 33.661 66 2HE MET 9 HE1 MET 9 21.240 8.338 34.752 67 3HE MET 9 HE3 MET 9 19.954 9.245 33.958 68 HA PRO 10 HA PRO 10 19.117 2.077 29.669 69 1HB PRO 10 HB2 PRO 10 17.147 2.784 27.896 70 2HB PRO 10 HB1 PRO 10 16.855 2.386 29.592 71 1HG PRO 10 HG2 PRO 10 17.108 5.069 28.291 72 2HG PRO 10 HG1 PRO 10 15.959 4.527 29.529 73 1HD PRO 10 HD2 PRO 10 18.112 6.012 30.148 74 2HD PRO 10 HD1 PRO 10 17.505 4.748 31.238 75 H SER 11 HN SER 11 20.109 1.127 27.987 76 HA SER 11 HA SER 11 21.623 2.703 26.148 77 1HB SER 11 HB2 SER 11 22.359 0.527 25.233 78 2HB SER 11 HB1 SER 11 22.487 0.572 26.991 79 HG SER 11 HG SER 11 20.804 -0.921 25.363 80 HA PRO 12 HA PRO 12 18.899 3.070 22.701 81 1HB PRO 12 HB2 PRO 12 20.601 2.636 20.599 82 2HB PRO 12 HB1 PRO 12 20.534 4.145 21.516 83 1HG PRO 12 HG2 PRO 12 22.440 1.853 21.771 84 2HG PRO 12 HG1 PRO 12 22.769 3.596 21.819 85 1HD PRO 12 HD2 PRO 12 22.638 2.109 24.059 86 2HD PRO 12 HD1 PRO 12 22.078 3.794 24.017 87 H THR 13 HN THR 13 17.391 1.586 22.300 88 HA THR 13 HA THR 13 17.947 -1.201 22.053 89 HB THR 13 HB THR 13 15.505 -1.360 21.480 90 HG1 THR 13 HG1 THR 13 14.820 0.447 20.615 91 1HG2 THR 13 1HG2 THR 13 16.232 -1.421 23.826 92 2HG2 THR 13 3HG2 THR 13 16.052 0.332 23.905 93 3HG2 THR 13 2HG2 THR 13 14.641 -0.687 23.620 94 H PHE 14 HN PHE 14 16.779 -2.399 20.122 95 HA PHE 14 HA PHE 14 18.293 -1.880 17.808 96 1HB PHE 14 HB2 PHE 14 16.708 -3.973 18.728 97 2HB PHE 14 HB1 PHE 14 15.885 -3.425 17.271 98 HD1 PHE 14 HD1 PHE 14 18.985 -4.852 18.618 99 HD2 PHE 14 HD2 PHE 14 16.869 -3.706 15.106 100 HE1 PHE 14 HE1 PHE 14 20.609 -6.084 17.242 101 HE2 PHE 14 HE2 PHE 14 18.489 -4.938 13.724 102 HZ PHE 14 HZ PHE 14 20.362 -6.130 14.792 103 H LEU 15 HN LEU 15 15.089 -0.844 18.782 104 HA LEU 15 HA LEU 15 14.109 -0.039 16.268 105 1HB LEU 15 HB2 LEU 15 13.512 1.064 19.017 106 2HB LEU 15 HB1 LEU 15 12.595 1.442 17.571 107 HG LEU 15 HG LEU 15 12.894 -1.418 18.392 108 1HD1 LEU 15 1HD1 LEU 15 12.225 -0.264 20.436 109 2HD1 LEU 15 3HD1 LEU 15 10.897 0.508 19.571 110 3HD1 LEU 15 2HD1 LEU 15 10.906 -1.242 19.791 111 1HD2 LEU 15 1HD2 LEU 15 11.871 -0.866 16.241 112 2HD2 LEU 15 3HD2 LEU 15 10.702 -1.598 17.339 113 3HD2 LEU 15 2HD2 LEU 15 10.681 0.143 17.062 114 H THR 16 HN THR 16 15.717 1.866 18.829 115 HA THR 16 HA THR 16 15.837 4.292 17.443 116 HB THR 16 HB THR 16 17.683 4.885 18.989 117 HG1 THR 16 HG1 THR 16 18.852 3.120 19.339 118 1HG2 THR 16 1HG2 THR 16 15.286 4.918 19.748 119 2HG2 THR 16 3HG2 THR 16 15.599 3.365 20.520 120 3HG2 THR 16 2HG2 THR 16 16.500 4.795 21.020 121 H GLN 17 HN GLN 17 17.937 1.470 17.318 122 HA GLN 17 HA GLN 17 20.111 2.604 15.948 123 1HB GLN 17 HB2 GLN 17 19.045 -0.210 16.085 124 2HB GLN 17 HB1 GLN 17 20.485 0.197 15.163 125 1HG GLN 17 HG2 GLN 17 21.730 0.643 17.037 126 2HG GLN 17 HG1 GLN 17 20.315 1.017 18.021 127 1HE2 GLN 17 1HE2 GLN 17 20.566 -0.362 19.684 128 2HE2 GLN 17 2HE2 GLN 17 20.645 -2.081 19.531 129 H VAL 18 HN VAL 18 17.152 1.063 14.753 130 HA VAL 18 HA VAL 18 17.375 0.657 12.159 131 HB VAL 18 HB VAL 18 15.171 2.299 13.405 132 1HG1 VAL 18 3HG1 VAL 18 15.379 1.053 10.676 133 2HG1 VAL 18 2HG1 VAL 18 13.830 1.429 11.432 134 3HG1 VAL 18 1HG1 VAL 18 14.983 2.720 11.092 135 1HG2 VAL 18 1HG2 VAL 18 15.554 -0.643 12.910 136 2HG2 VAL 18 3HG2 VAL 18 15.257 0.179 14.441 137 3HG2 VAL 18 2HG2 VAL 18 13.975 0.068 13.237 138 H LYS 19 HN LYS 19 17.135 3.984 13.435 139 HA LYS 19 HA LYS 19 17.046 5.391 11.070 140 1HB LYS 19 HB2 LYS 19 18.487 6.161 13.612 141 2HB LYS 19 HB1 LYS 19 18.085 7.271 12.310 142 1HG LYS 19 HG2 LYS 19 16.144 5.768 14.054 143 2HG LYS 19 HG1 LYS 19 16.492 7.495 14.099 144 1HD LYS 19 HD2 LYS 19 14.731 7.704 12.727 145 2HD LYS 19 HD1 LYS 19 15.817 7.105 11.472 146 1HE LYS 19 HE2 LYS 19 14.896 4.812 12.747 147 2HE LYS 19 HE1 LYS 19 13.482 5.860 12.656 148 1HZ LYS 19 HZ1 LYS 19 13.954 6.121 10.255 149 2HZ LYS 19 HZ3 LYS 19 15.187 4.970 10.395 150 3HZ LYS 19 HZ2 LYS 19 13.581 4.531 10.694 151 H GLU 20 HN GLU 20 19.965 4.302 12.787 152 HA GLU 20 HA GLU 20 21.814 5.409 10.967 153 1HB GLU 20 HB2 GLU 20 22.119 3.027 12.803 154 2HB GLU 20 HB1 GLU 20 23.442 3.837 11.976 155 1HG GLU 20 HG2 GLU 20 23.634 4.974 13.890 156 2HG GLU 20 HG1 GLU 20 22.295 5.927 13.252 157 H SER 21 HN SER 21 19.999 2.439 10.983 158 HA SER 21 HA SER 21 21.457 1.005 9.040 159 1HB SER 21 HB2 SER 21 18.469 0.793 9.425 160 2HB SER 21 HB1 SER 21 19.592 -0.463 8.909 161 HG SER 21 HG SER 21 18.877 -0.535 11.168 162 H LEU 22 HN LEU 22 18.807 3.332 8.786 163 HA LEU 22 HA LEU 22 18.462 3.065 5.971 164 1HB LEU 22 HB2 LEU 22 16.800 3.995 7.666 165 2HB LEU 22 HB1 LEU 22 17.739 5.474 7.627 166 HG LEU 22 HG LEU 22 17.328 5.332 5.040 167 1HD1 LEU 22 2HD1 LEU 22 16.302 3.117 5.077 168 2HD1 LEU 22 1HD1 LEU 22 15.018 3.725 6.121 169 3HD1 LEU 22 3HD1 LEU 22 15.179 4.335 4.474 170 1HD2 LEU 22 3HD2 LEU 22 15.169 6.122 6.993 171 2HD2 LEU 22 2HD2 LEU 22 16.531 7.122 6.487 172 3HD2 LEU 22 1HD2 LEU 22 15.292 6.660 5.319 173 H SER 23 HN SER 23 20.438 5.137 8.031 174 HA SER 23 HA SER 23 21.226 7.031 6.129 175 1HB SER 23 HB2 SER 23 22.825 5.965 8.471 176 2HB SER 23 HB1 SER 23 23.154 7.462 7.600 177 HG SER 23 HG SER 23 21.199 6.887 9.475 178 H SER 24 HN SER 24 22.764 3.956 7.051 179 HA SER 24 HA SER 24 24.904 4.123 5.218 180 1HB SER 24 HB2 SER 24 24.536 2.529 7.262 181 2HB SER 24 HB1 SER 24 23.761 1.484 6.072 182 HG SER 24 HG SER 24 25.644 1.171 5.090 183 H TYR 25 HN TYR 25 21.570 3.432 4.756 184 HA TYR 25 HA TYR 25 21.814 1.814 2.417 185 1HB TYR 25 HB2 TYR 25 19.760 2.324 4.076 186 2HB TYR 25 HB1 TYR 25 19.379 3.474 2.799 187 HD1 TYR 25 HD1 TYR 25 19.332 0.019 3.807 188 HD2 TYR 25 HD2 TYR 25 19.075 2.615 0.445 189 HE1 TYR 25 HE1 TYR 25 18.314 -1.792 2.493 190 HE2 TYR 25 HE2 TYR 25 18.056 0.811 -0.877 191 HH TYR 25 HH TYR 25 18.242 -2.124 -0.441 192 H TRP 26 HN TRP 26 21.467 5.278 3.027 193 HA TRP 26 HA TRP 26 21.045 6.096 0.363 194 1HB TRP 26 HB2 TRP 26 20.906 7.388 2.685 195 2HB TRP 26 HB1 TRP 26 22.537 7.873 2.237 196 HD1 TRP 26 HD1 TRP 26 18.923 8.072 0.877 197 HE1 TRP 26 HE1 TRP 26 18.752 10.149 -0.634 198 HE3 TRP 26 HE3 TRP 26 23.824 9.529 0.939 199 HZ2 TRP 26 HZ2 TRP 26 20.467 12.142 -1.661 200 HZ3 TRP 26 HZ3 TRP 26 24.475 11.531 -0.333 201 HH2 TRP 26 HH2 TRP 26 22.830 12.809 -1.607 202 H GLU 27 HN GLU 27 23.981 5.594 2.246 203 HA GLU 27 HA GLU 27 25.970 6.682 0.769 204 1HB GLU 27 HB2 GLU 27 25.754 4.254 2.436 205 2HB GLU 27 HB1 GLU 27 27.119 4.285 1.331 206 1HG GLU 27 HG2 GLU 27 28.229 5.553 2.755 207 2HG GLU 27 HG1 GLU 27 27.008 6.812 2.577 208 H SER 28 HN SER 28 24.798 3.359 0.240 209 HA SER 28 HA SER 28 25.980 3.339 -2.420 210 1HB SER 28 HB2 SER 28 24.624 1.196 -0.776 211 2HB SER 28 HB1 SER 28 25.208 0.938 -2.421 212 HG SER 28 HG SER 28 26.649 0.426 -0.527 213 H ALA 29 HN ALA 29 23.133 4.479 -1.220 214 HA ALA 29 HA ALA 29 21.157 3.362 -2.875 215 1HB ALA 29 HB2 ALA 29 20.586 4.727 -0.958 216 2HB ALA 29 HB3 ALA 29 19.859 5.395 -2.418 217 3HB ALA 29 HB1 ALA 29 21.296 6.145 -1.727 218 H LYS 30 HN LYS 30 23.695 5.609 -3.626 219 HA LYS 30 HA LYS 30 22.655 7.008 -5.772 220 1HB LYS 30 HB2 LYS 30 25.433 6.025 -5.181 221 2HB LYS 30 HB1 LYS 30 25.086 6.936 -6.644 222 1HG LYS 30 HG2 LYS 30 24.334 7.988 -3.941 223 2HG LYS 30 HG1 LYS 30 25.957 8.204 -4.600 224 1HD LYS 30 HD2 LYS 30 24.946 9.266 -6.604 225 2HD LYS 30 HD1 LYS 30 23.366 9.143 -5.830 226 1HE LYS 30 HE2 LYS 30 25.648 10.507 -4.447 227 2HE LYS 30 HE1 LYS 30 24.690 11.361 -5.655 228 1HZ LYS 30 HZ2 LYS 30 22.698 10.826 -4.337 229 2HZ LYS 30 HZ1 LYS 30 23.680 10.128 -3.149 230 3HZ LYS 30 HZ3 LYS 30 23.802 11.782 -3.486 231 H THR 31 HN THR 31 24.182 3.799 -5.818 232 HA THR 31 HA THR 31 24.201 3.258 -8.514 233 HB THR 31 HB THR 31 23.376 1.235 -6.425 234 HG1 THR 31 HG1 THR 31 25.199 1.707 -5.511 235 1HG2 THR 31 3HG2 THR 31 24.963 0.958 -8.965 236 2HG2 THR 31 2HG2 THR 31 24.707 -0.320 -7.777 237 3HG2 THR 31 1HG2 THR 31 23.336 0.348 -8.664 238 H ALA 32 HN ALA 32 21.522 3.161 -6.238 239 HA ALA 32 HA ALA 32 19.608 1.965 -7.932 240 1HB ALA 32 HB2 ALA 32 18.022 2.527 -6.338 241 2HB ALA 32 HB1 ALA 32 19.506 2.461 -5.387 242 3HB ALA 32 HB3 ALA 32 18.850 4.019 -5.891 243 H ALA 33 HN ALA 33 20.524 5.365 -7.398 244 HA ALA 33 HA ALA 33 18.587 6.655 -8.873 245 1HB ALA 33 HB2 ALA 33 21.475 7.479 -8.977 246 2HB ALA 33 HB3 ALA 33 20.482 7.692 -7.536 247 3HB ALA 33 HB1 ALA 33 20.042 8.505 -9.038 248 H GLN 34 HN GLN 34 21.714 5.509 -10.142 249 HA GLN 34 HA GLN 34 21.086 6.086 -12.837 250 1HB GLN 34 HB2 GLN 34 23.057 4.096 -11.689 251 2HB GLN 34 HB1 GLN 34 22.988 4.573 -13.379 252 1HG GLN 34 HG2 GLN 34 23.625 6.359 -11.041 253 2HG GLN 34 HG1 GLN 34 24.764 5.746 -12.237 254 1HE2 GLN 34 1HE2 GLN 34 24.604 6.517 -14.403 255 2HE2 GLN 34 2HE2 GLN 34 23.880 8.050 -14.737 256 H ASN 35 HN ASN 35 20.630 3.269 -10.785 257 HA ASN 35 HA ASN 35 19.828 1.452 -12.785 258 1HB ASN 35 HB2 ASN 35 20.437 0.893 -10.386 259 2HB ASN 35 HB1 ASN 35 18.830 1.454 -9.935 260 1HD2 ASN 35 1HD2 ASN 35 20.454 -0.786 -12.158 261 2HD2 ASN 35 2HD2 ASN 35 19.245 -2.018 -12.067 262 H LEU 36 HN LEU 36 18.159 4.040 -11.215 263 HA LEU 36 HA LEU 36 15.491 3.336 -11.652 264 1HB LEU 36 HB2 LEU 36 16.765 5.516 -10.589 265 2HB LEU 36 HB1 LEU 36 16.153 6.176 -12.093 266 HG LEU 36 HG LEU 36 14.593 6.608 -10.292 267 1HD1 LEU 36 2HD1 LEU 36 13.782 6.065 -12.614 268 2HD1 LEU 36 1HD1 LEU 36 13.414 4.446 -12.020 269 3HD1 LEU 36 3HD1 LEU 36 12.603 5.846 -11.321 270 1HD2 LEU 36 3HD2 LEU 36 15.297 4.623 -8.924 271 2HD2 LEU 36 2HD2 LEU 36 13.557 4.906 -8.998 272 3HD2 LEU 36 1HD2 LEU 36 14.285 3.631 -9.974 273 H TYR 37 HN TYR 37 17.857 5.026 -13.629 274 HA TYR 37 HA TYR 37 16.214 5.406 -15.912 275 1HB TYR 37 HB2 TYR 37 19.178 5.420 -15.420 276 2HB TYR 37 HB1 TYR 37 18.572 5.441 -17.072 277 HD1 TYR 37 HD1 TYR 37 18.941 7.342 -13.980 278 HD2 TYR 37 HD2 TYR 37 17.315 7.371 -17.913 279 HE1 TYR 37 HE1 TYR 37 18.637 9.777 -13.831 280 HE2 TYR 37 HE2 TYR 37 17.006 9.807 -17.774 281 HH TYR 37 HH TYR 37 18.418 11.746 -16.040 282 H GLU 38 HN GLU 38 18.293 2.834 -14.766 283 HA GLU 38 HA GLU 38 18.348 1.196 -17.035 284 1HB GLU 38 HB2 GLU 38 19.554 1.017 -14.670 285 2HB GLU 38 HB1 GLU 38 18.214 -0.072 -14.340 286 1HG GLU 38 HG2 GLU 38 20.215 -0.334 -16.574 287 2HG GLU 38 HG1 GLU 38 20.156 -1.300 -15.101 288 H LYS 39 HN LYS 39 16.115 1.235 -14.287 289 HA LYS 39 HA LYS 39 14.480 -0.879 -14.998 290 1HB LYS 39 HB2 LYS 39 13.076 -0.190 -13.330 291 2HB LYS 39 HB1 LYS 39 14.508 0.726 -12.894 292 1HG LYS 39 HG2 LYS 39 13.131 2.476 -12.818 293 2HG LYS 39 HG1 LYS 39 13.231 2.454 -14.578 294 1HD LYS 39 HD2 LYS 39 11.117 1.712 -14.812 295 2HD LYS 39 HD1 LYS 39 11.246 0.615 -13.435 296 1HE LYS 39 HE2 LYS 39 9.639 2.216 -12.808 297 2HE LYS 39 HE1 LYS 39 11.116 2.680 -11.964 298 1HZ LYS 39 HZ2 LYS 39 10.149 3.888 -14.501 299 2HZ LYS 39 HZ1 LYS 39 9.984 4.581 -12.967 300 3HZ LYS 39 HZ3 LYS 39 11.523 4.359 -13.634 301 H THR 40 HN THR 40 14.761 2.230 -16.501 302 HA THR 40 HA THR 40 12.194 2.375 -17.693 303 HB THR 40 HB THR 40 14.796 3.402 -18.852 304 HG1 THR 40 HG1 THR 40 14.753 4.932 -17.419 305 1HG2 THR 40 2HG2 THR 40 11.967 4.353 -19.220 306 2HG2 THR 40 1HG2 THR 40 13.409 5.172 -19.820 307 3HG2 THR 40 3HG2 THR 40 12.982 3.574 -20.433 308 H TYR 41 HN TYR 41 15.267 1.016 -18.719 309 HA TYR 41 HA TYR 41 14.377 -0.037 -21.206 310 1HB TYR 41 HB2 TYR 41 16.662 -1.082 -19.521 311 2HB TYR 41 HB1 TYR 41 16.455 -1.259 -21.260 312 HD1 TYR 41 HD1 TYR 41 16.257 1.052 -22.565 313 HD2 TYR 41 HD2 TYR 41 18.096 0.559 -18.761 314 HE1 TYR 41 HE1 TYR 41 17.548 3.111 -22.929 315 HE2 TYR 41 HE2 TYR 41 19.392 2.619 -19.113 316 HH TYR 41 HH TYR 41 20.074 3.938 -21.732 317 H LEU 42 HN LEU 42 14.622 -1.404 -17.951 318 HA LEU 42 HA LEU 42 14.040 -3.411 -17.054 319 1HB LEU 42 HB2 LEU 42 11.684 -3.867 -17.147 320 2HB LEU 42 HB1 LEU 42 11.950 -2.140 -17.064 321 HG LEU 42 HG LEU 42 11.709 -2.923 -19.817 322 1HD1 LEU 42 2HD1 LEU 42 10.467 -4.844 -18.826 323 2HD1 LEU 42 1HD1 LEU 42 9.343 -3.683 -18.119 324 3HD1 LEU 42 3HD1 LEU 42 9.496 -3.809 -19.871 325 1HD2 LEU 42 3HD2 LEU 42 11.155 -0.752 -18.332 326 2HD2 LEU 42 2HD2 LEU 42 10.456 -1.049 -19.924 327 3HD2 LEU 42 1HD2 LEU 42 9.540 -1.447 -18.470 328 HA PRO 43 HA PRO 43 14.737 -6.222 -20.619 329 1HB PRO 43 HB2 PRO 43 17.380 -6.774 -20.047 330 2HB PRO 43 HB1 PRO 43 16.827 -5.504 -21.138 331 1HG PRO 43 HG2 PRO 43 18.135 -5.214 -18.600 332 2HG PRO 43 HG1 PRO 43 17.604 -3.941 -19.708 333 1HD PRO 43 HD2 PRO 43 16.297 -4.982 -17.272 334 2HD PRO 43 HD1 PRO 43 16.102 -3.412 -18.077 335 H ALA 44 HN ALA 44 16.836 -6.995 -17.841 336 HA ALA 44 HA ALA 44 16.237 -9.747 -17.851 337 1HB ALA 44 HB3 ALA 44 18.337 -8.841 -17.009 338 2HB ALA 44 HB1 ALA 44 17.544 -9.859 -15.807 339 3HB ALA 44 HB2 ALA 44 17.480 -8.103 -15.656 340 H VAL 45 HN VAL 45 14.484 -7.153 -16.489 341 HA VAL 45 HA VAL 45 13.404 -7.926 -14.155 342 HB VAL 45 HB VAL 45 11.852 -6.773 -16.477 343 1HG1 VAL 45 3HG1 VAL 45 11.166 -7.053 -13.563 344 2HG1 VAL 45 2HG1 VAL 45 10.409 -5.842 -14.598 345 3HG1 VAL 45 1HG1 VAL 45 10.225 -7.557 -14.967 346 1HG2 VAL 45 3HG2 VAL 45 13.413 -5.518 -14.228 347 2HG2 VAL 45 2HG2 VAL 45 13.662 -5.330 -15.964 348 3HG2 VAL 45 1HG2 VAL 45 12.236 -4.630 -15.197 349 H ASP 46 HN ASP 46 12.002 -8.934 -17.290 350 HA ASP 46 HA ASP 46 10.053 -10.630 -16.267 351 1HB ASP 46 HB2 ASP 46 10.368 -9.858 -18.680 352 2HB ASP 46 HB1 ASP 46 11.531 -11.171 -18.841 353 H GLU 47 HN GLU 47 13.471 -11.229 -16.891 354 HA GLU 47 HA GLU 47 13.368 -14.052 -16.489 355 1HB GLU 47 HB2 GLU 47 15.243 -12.628 -17.568 356 2HB GLU 47 HB1 GLU 47 15.793 -12.360 -15.921 357 1HG GLU 47 HG2 GLU 47 15.391 -15.099 -17.090 358 2HG GLU 47 HG1 GLU 47 16.918 -14.224 -17.176 359 H LYS 48 HN LYS 48 14.115 -11.310 -14.370 360 HA LYS 48 HA LYS 48 14.792 -12.711 -12.056 361 1HB LYS 48 HB2 LYS 48 13.418 -10.029 -12.292 362 2HB LYS 48 HB1 LYS 48 14.200 -10.644 -10.844 363 1HG LYS 48 HG2 LYS 48 15.833 -10.537 -13.310 364 2HG LYS 48 HG1 LYS 48 15.407 -9.002 -12.551 365 1HD LYS 48 HD2 LYS 48 17.061 -9.308 -11.098 366 2HD LYS 48 HD1 LYS 48 16.212 -10.723 -10.473 367 1HE LYS 48 HE2 LYS 48 17.957 -10.886 -12.910 368 2HE LYS 48 HE1 LYS 48 18.632 -11.016 -11.286 369 1HZ LYS 48 HZ1 LYS 48 16.823 -12.809 -10.986 370 2HZ LYS 48 HZ3 LYS 48 16.789 -12.845 -12.678 371 3HZ LYS 48 HZ2 LYS 48 18.223 -13.198 -11.854 372 H LEU 49 HN LEU 49 11.679 -12.253 -13.522 373 HA LEU 49 HA LEU 49 10.047 -12.578 -11.242 374 1HB LEU 49 HB2 LEU 49 9.482 -13.356 -14.111 375 2HB LEU 49 HB1 LEU 49 8.284 -13.247 -12.837 376 HG LEU 49 HG LEU 49 9.922 -10.896 -13.778 377 1HD1 LEU 49 3HD1 LEU 49 8.481 -11.849 -15.573 378 2HD1 LEU 49 2HD1 LEU 49 7.086 -11.569 -14.532 379 3HD1 LEU 49 1HD1 LEU 49 8.053 -10.207 -15.096 380 1HD2 LEU 49 3HD2 LEU 49 7.454 -11.127 -12.061 381 2HD2 LEU 49 2HD2 LEU 49 9.061 -10.618 -11.544 382 3HD2 LEU 49 1HD2 LEU 49 8.132 -9.610 -12.653 383 H ARG 50 HN ARG 50 10.748 -14.961 -13.803 384 HA ARG 50 HA ARG 50 9.935 -17.195 -12.278 385 1HB ARG 50 HB2 ARG 50 10.632 -16.786 -14.902 386 2HB ARG 50 HB1 ARG 50 12.002 -17.711 -14.305 387 1HG ARG 50 HG2 ARG 50 9.129 -18.560 -14.010 388 2HG ARG 50 HG1 ARG 50 10.199 -19.087 -15.311 389 1HD ARG 50 HD2 ARG 50 11.754 -19.709 -13.243 390 2HD ARG 50 HD1 ARG 50 10.194 -19.813 -12.432 391 HE ARG 50 HE ARG 50 9.710 -21.702 -13.646 392 1HH1 ARG 50 1HH1 ARG 50 12.553 -20.174 -15.008 393 2HH1 ARG 50 2HH1 ARG 50 12.927 -21.512 -16.039 394 1HH2 ARG 50 1HH2 ARG 50 10.211 -23.461 -15.007 395 2HH2 ARG 50 2HH2 ARG 50 11.599 -23.378 -16.039 396 H ASP 51 HN ASP 51 12.994 -15.506 -12.648 397 HA ASP 51 HA ASP 51 14.747 -17.367 -11.540 398 1HB ASP 51 HB2 ASP 51 15.238 -15.074 -12.631 399 2HB ASP 51 HB1 ASP 51 15.013 -14.417 -11.012 400 H LEU 52 HN LEU 52 13.091 -14.688 -9.865 401 HA LEU 52 HA LEU 52 13.923 -15.454 -7.275 402 1HB LEU 52 HB2 LEU 52 11.988 -13.532 -8.421 403 2HB LEU 52 HB1 LEU 52 11.693 -14.027 -6.767 404 HG LEU 52 HG LEU 52 14.103 -13.360 -6.281 405 1HD1 LEU 52 1HD1 LEU 52 14.776 -13.313 -8.686 406 2HD1 LEU 52 3HD1 LEU 52 13.811 -11.848 -8.869 407 3HD1 LEU 52 2HD1 LEU 52 15.197 -11.861 -7.779 408 1HD2 LEU 52 1HD2 LEU 52 12.172 -12.042 -5.574 409 2HD2 LEU 52 3HD2 LEU 52 13.520 -11.005 -6.040 410 3HD2 LEU 52 2HD2 LEU 52 12.156 -11.221 -7.136 411 H TYR 53 HN TYR 53 11.313 -16.535 -9.310 412 HA TYR 53 HA TYR 53 9.631 -17.585 -7.279 413 1HB TYR 53 HB2 TYR 53 9.866 -17.931 -10.233 414 2HB TYR 53 HB1 TYR 53 8.952 -19.136 -9.336 415 HD1 TYR 53 HD1 TYR 53 7.577 -17.572 -7.302 416 HD2 TYR 53 HD2 TYR 53 8.335 -16.625 -11.381 417 HE1 TYR 53 HE1 TYR 53 5.612 -16.095 -7.318 418 HE2 TYR 53 HE2 TYR 53 6.373 -15.144 -11.406 419 HH TYR 53 HH TYR 53 5.037 -13.816 -9.111 420 H SER 54 HN SER 54 12.130 -19.077 -9.333 421 HA SER 54 HA SER 54 11.921 -21.681 -8.300 422 1HB SER 54 HB2 SER 54 13.183 -20.889 -10.391 423 2HB SER 54 HB1 SER 54 14.502 -20.475 -9.295 424 HG SER 54 HG SER 54 14.758 -22.577 -10.118 425 H LYS 55 HN LYS 55 14.086 -19.002 -7.397 426 HA LYS 55 HA LYS 55 15.481 -20.347 -5.363 427 1HB LYS 55 HB2 LYS 55 16.014 -18.098 -6.496 428 2HB LYS 55 HB1 LYS 55 14.915 -17.391 -5.319 429 1HG LYS 55 HG2 LYS 55 16.393 -18.635 -3.581 430 2HG LYS 55 HG1 LYS 55 17.575 -18.675 -4.892 431 1HD LYS 55 HD2 LYS 55 17.956 -16.446 -4.793 432 2HD LYS 55 HD1 LYS 55 16.276 -16.069 -4.405 433 1HE LYS 55 HE2 LYS 55 18.031 -17.422 -2.393 434 2HE LYS 55 HE1 LYS 55 18.119 -15.676 -2.621 435 1HZ LYS 55 HZ2 LYS 55 15.633 -17.171 -1.980 436 2HZ LYS 55 HZ1 LYS 55 16.575 -16.340 -0.848 437 3HZ LYS 55 HZ3 LYS 55 15.797 -15.490 -2.086 438 H SER 56 HN SER 56 12.599 -18.256 -5.202 439 HA SER 56 HA SER 56 12.291 -18.323 -2.411 440 1HB SER 56 HB2 SER 56 10.066 -17.451 -2.778 441 2HB SER 56 HB1 SER 56 11.172 -16.699 -3.927 442 HG SER 56 HG SER 56 9.511 -17.306 -5.171 443 H THR 57 HN THR 57 11.662 -20.838 -4.701 444 HA THR 57 HA THR 57 9.510 -22.149 -3.502 445 HB THR 57 HB THR 57 11.874 -23.370 -4.946 446 HG1 THR 57 HG1 THR 57 10.986 -22.200 -6.474 447 1HG2 THR 57 3HG2 THR 57 9.144 -24.486 -4.368 448 2HG2 THR 57 2HG2 THR 57 10.243 -25.140 -5.582 449 3HG2 THR 57 1HG2 THR 57 10.705 -25.145 -3.881 450 H ALA 58 HN ALA 58 13.007 -22.607 -2.957 451 HA ALA 58 HA ALA 58 12.482 -24.332 -0.676 452 1HB ALA 58 HB2 ALA 58 14.285 -24.917 -2.209 453 2HB ALA 58 HB1 ALA 58 15.098 -23.393 -1.849 454 3HB ALA 58 HB3 ALA 58 14.907 -24.612 -0.588 455 H ALA 59 HN ALA 59 13.891 -21.133 -1.311 456 HA ALA 59 HA ALA 59 14.707 -20.555 1.312 457 1HB ALA 59 HB2 ALA 59 14.741 -18.202 0.579 458 2HB ALA 59 HB3 ALA 59 13.909 -18.674 -0.903 459 3HB ALA 59 HB1 ALA 59 15.529 -19.285 -0.567 460 H MET 60 HN MET 60 11.791 -19.352 -0.384 461 HA MET 60 HA MET 60 10.636 -18.149 1.872 462 1HB MET 60 HB2 MET 60 10.057 -17.887 -0.640 463 2HB MET 60 HB1 MET 60 8.982 -19.252 -0.377 464 1HG MET 60 HG2 MET 60 7.817 -17.115 -0.208 465 2HG MET 60 HG1 MET 60 7.765 -18.018 1.304 466 1HE MET 60 HE3 MET 60 8.725 -17.270 3.507 467 2HE MET 60 HE2 MET 60 8.788 -15.532 3.799 468 3HE MET 60 HE1 MET 60 7.342 -16.256 3.096 469 H SER 61 HN SER 61 10.806 -21.490 1.014 470 HA SER 61 HA SER 61 8.444 -22.402 2.280 471 1HB SER 61 HB2 SER 61 9.856 -23.699 0.636 472 2HB SER 61 HB1 SER 61 11.003 -23.976 1.946 473 HG SER 61 HG SER 61 9.682 -25.385 2.809 474 H THR 62 HN THR 62 11.382 -21.224 3.594 475 HA THR 62 HA THR 62 10.945 -22.583 6.152 476 HB THR 62 HB THR 62 13.142 -21.655 6.797 477 HG1 THR 62 HG1 THR 62 13.684 -19.929 5.732 478 1HG2 THR 62 3HG2 THR 62 13.054 -23.830 5.621 479 2HG2 THR 62 2HG2 THR 62 13.337 -22.974 4.104 480 3HG2 THR 62 1HG2 THR 62 14.560 -22.945 5.375 481 H TYR 63 HN TYR 63 11.416 -19.302 4.852 482 HA TYR 63 HA TYR 63 10.801 -17.937 7.229 483 1HB TYR 63 HB2 TYR 63 10.731 -17.060 4.338 484 2HB TYR 63 HB1 TYR 63 10.461 -15.967 5.691 485 HD1 TYR 63 HD1 TYR 63 12.925 -17.740 3.720 486 HD2 TYR 63 HD2 TYR 63 12.317 -15.521 7.299 487 HE1 TYR 63 HE1 TYR 63 15.351 -17.390 3.908 488 HE2 TYR 63 HE2 TYR 63 14.741 -15.163 7.496 489 HH TYR 63 HH TYR 63 16.934 -16.749 6.367 490 H THR 64 HN THR 64 8.801 -19.532 4.904 491 HA THR 64 HA THR 64 6.459 -17.974 5.331 492 HB THR 64 HB THR 64 6.982 -20.670 4.127 493 HG1 THR 64 HG1 THR 64 6.834 -19.528 2.390 494 1HG2 THR 64 3HG2 THR 64 4.279 -19.581 4.831 495 2HG2 THR 64 2HG2 THR 64 4.530 -20.698 3.490 496 3HG2 THR 64 1HG2 THR 64 4.934 -21.189 5.135 497 H GLY 65 HN GLY 65 7.297 -21.240 6.476 498 1HA GLY 65 HA1 GLY 65 6.671 -22.361 8.385 499 2HA GLY 65 HA2 GLY 65 5.214 -21.373 8.381 500 H ILE 66 HN ILE 66 8.546 -20.233 8.535 501 HA ILE 66 HA ILE 66 8.683 -19.842 11.332 502 HB ILE 66 HB ILE 66 10.289 -18.943 8.996 503 1HG1 ILE 66 2HG1 ILE 66 12.079 -19.992 10.164 504 2HG1 ILE 66 1HG1 ILE 66 11.201 -19.960 11.687 505 1HG2 ILE 66 1HG2 ILE 66 10.272 -17.502 11.627 506 2HG2 ILE 66 3HG2 ILE 66 11.714 -17.565 10.614 507 3HG2 ILE 66 2HG2 ILE 66 10.234 -16.832 9.997 508 1HD1 ILE 66 2HD1 ILE 66 10.097 -21.517 9.399 509 2HD1 ILE 66 1HD1 ILE 66 11.437 -22.171 10.340 510 3HD1 ILE 66 3HD1 ILE 66 9.913 -21.775 11.133 511 H PHE 67 HN PHE 67 8.206 -17.453 8.714 512 HA PHE 67 HA PHE 67 7.683 -15.221 10.261 513 1HB PHE 67 HB2 PHE 67 7.939 -15.088 7.837 514 2HB PHE 67 HB1 PHE 67 6.422 -15.951 7.608 515 HD1 PHE 67 HD1 PHE 67 4.352 -14.821 7.669 516 HD2 PHE 67 HD2 PHE 67 7.914 -12.800 8.825 517 HE1 PHE 67 HE1 PHE 67 3.135 -12.683 7.667 518 HE2 PHE 67 HE2 PHE 67 6.703 -10.658 8.826 519 HZ PHE 67 HZ PHE 67 4.311 -10.598 8.248 520 H THR 68 HN THR 68 5.240 -17.427 8.894 521 HA THR 68 HA THR 68 3.057 -16.278 10.247 522 HB THR 68 HB THR 68 3.245 -19.119 9.247 523 HG1 THR 68 HG1 THR 68 2.666 -16.730 7.833 524 1HG2 THR 68 3HG2 THR 68 0.927 -17.270 9.701 525 2HG2 THR 68 2HG2 THR 68 0.829 -18.699 8.673 526 3HG2 THR 68 1HG2 THR 68 1.203 -18.870 10.388 527 H ASP 69 HN ASP 69 5.501 -18.421 11.338 528 HA ASP 69 HA ASP 69 4.152 -19.859 13.320 529 1HB ASP 69 HB2 ASP 69 6.796 -19.626 12.511 530 2HB ASP 69 HB1 ASP 69 6.821 -19.030 14.166 531 H GLN 70 HN GLN 70 6.010 -16.834 13.735 532 HA GLN 70 HA GLN 70 5.076 -16.403 16.386 533 1HB GLN 70 HB2 GLN 70 6.186 -14.256 16.254 534 2HB GLN 70 HB1 GLN 70 7.213 -15.491 15.541 535 1HG GLN 70 HG2 GLN 70 5.765 -14.539 13.394 536 2HG GLN 70 HG1 GLN 70 6.078 -13.098 14.359 537 1HE2 GLN 70 1HE2 GLN 70 7.526 -15.727 12.572 538 2HE2 GLN 70 2HE2 GLN 70 9.093 -15.016 12.419 539 H VAL 71 HN VAL 71 3.813 -15.601 13.260 540 HA VAL 71 HA VAL 71 2.098 -13.469 14.035 541 HB VAL 71 HB VAL 71 1.877 -15.382 11.696 542 1HG1 VAL 71 1HG1 VAL 71 0.340 -12.888 12.373 543 2HG1 VAL 71 3HG1 VAL 71 0.446 -13.525 10.731 544 3HG1 VAL 71 2HG1 VAL 71 -0.286 -14.495 12.008 545 1HG2 VAL 71 3HG2 VAL 71 3.857 -13.641 12.047 546 2HG2 VAL 71 2HG2 VAL 71 3.159 -13.966 10.461 547 3HG2 VAL 71 1HG2 VAL 71 2.658 -12.539 11.369 548 H LEU 72 HN LEU 72 1.537 -16.908 13.390 549 HA LEU 72 HA LEU 72 -1.129 -17.048 14.221 550 1HB LEU 72 HB2 LEU 72 0.407 -18.809 13.036 551 2HB LEU 72 HB1 LEU 72 0.785 -19.314 14.671 552 HG LEU 72 HG LEU 72 -2.094 -19.082 14.047 553 1HD1 LEU 72 2HD1 LEU 72 -1.243 -20.021 11.956 554 2HD1 LEU 72 1HD1 LEU 72 -0.408 -21.283 12.862 555 3HD1 LEU 72 3HD1 LEU 72 -2.170 -21.211 12.871 556 1HD2 LEU 72 3HD2 LEU 72 -0.383 -21.145 15.432 557 2HD2 LEU 72 2HD2 LEU 72 -1.340 -19.880 16.204 558 3HD2 LEU 72 1HD2 LEU 72 -2.143 -21.184 15.331 559 H SER 73 HN SER 73 1.917 -17.126 15.968 560 HA SER 73 HA SER 73 0.990 -18.017 18.455 561 1HB SER 73 HB2 SER 73 3.426 -17.539 17.633 562 2HB SER 73 HB1 SER 73 3.130 -15.919 18.265 563 HG SER 73 HG SER 73 4.055 -17.229 19.859 564 H VAL 74 HN VAL 74 0.930 -14.828 16.991 565 HA VAL 74 HA VAL 74 0.034 -13.468 19.345 566 HB VAL 74 HB VAL 74 -0.475 -12.520 16.528 567 1HG1 VAL 74 1HG1 VAL 74 -1.459 -11.293 18.470 568 2HG1 VAL 74 3HG1 VAL 74 0.183 -10.963 19.023 569 3HG1 VAL 74 2HG1 VAL 74 -0.371 -10.328 17.474 570 1HG2 VAL 74 2HG2 VAL 74 2.105 -12.823 17.938 571 2HG2 VAL 74 1HG2 VAL 74 1.749 -12.797 16.211 572 3HG2 VAL 74 3HG2 VAL 74 1.834 -11.286 17.116 573 H LEU 75 HN LEU 75 -1.482 -15.477 17.001 574 HA LEU 75 HA LEU 75 -4.115 -14.459 17.095 575 1HB LEU 75 HB2 LEU 75 -3.050 -16.193 15.486 576 2HB LEU 75 HB1 LEU 75 -3.492 -17.365 16.711 577 HG LEU 75 HG LEU 75 -5.876 -16.413 16.488 578 1HD1 LEU 75 3HD1 LEU 75 -5.245 -14.417 15.208 579 2HD1 LEU 75 2HD1 LEU 75 -4.702 -15.447 13.885 580 3HD1 LEU 75 1HD1 LEU 75 -6.406 -15.420 14.337 581 1HD2 LEU 75 3HD2 LEU 75 -4.551 -18.019 14.309 582 2HD2 LEU 75 2HD2 LEU 75 -5.347 -18.629 15.760 583 3HD2 LEU 75 1HD2 LEU 75 -6.297 -17.852 14.493 584 H LYS 76 HN LYS 76 -2.333 -16.708 19.071 585 HA LYS 76 HA LYS 76 -4.548 -17.603 20.630 586 1HB LYS 76 HB2 LYS 76 -2.180 -18.663 20.306 587 2HB LYS 76 HB1 LYS 76 -1.727 -17.620 21.647 588 1HG LYS 76 HG2 LYS 76 -3.586 -18.652 22.965 589 2HG LYS 76 HG1 LYS 76 -3.797 -19.804 21.645 590 1HD LYS 76 HD2 LYS 76 -1.132 -19.398 22.967 591 2HD LYS 76 HD1 LYS 76 -2.334 -20.503 23.636 592 1HE LYS 76 HE2 LYS 76 -2.090 -22.007 21.953 593 2HE LYS 76 HE1 LYS 76 -1.745 -20.766 20.748 594 1HZ LYS 76 HZ1 LYS 76 0.478 -20.537 21.677 595 2HZ LYS 76 HZ3 LYS 76 0.146 -21.733 22.827 596 3HZ LYS 76 HZ2 LYS 76 0.195 -22.131 21.185 597 H GLY 77 HN GLY 77 -2.186 -14.998 20.950 598 1HA GLY 77 HA1 GLY 77 -2.014 -13.257 22.438 599 2HA GLY 77 HA2 GLY 77 -2.823 -14.275 23.617 600 H GLU 78 HN GLU 78 -3.305 -11.967 21.003 601 HA GLU 78 HA GLU 78 -6.147 -11.725 21.622 602 1HB GLU 78 HB2 GLU 78 -5.762 -9.163 21.814 603 2HB GLU 78 HB1 GLU 78 -5.462 -10.182 23.213 604 1HG GLU 78 HG2 GLU 78 -3.714 -8.534 22.978 605 2HG GLU 78 HG1 GLU 78 -3.065 -10.152 22.722 606 H GLU 79 HN GLU 79 -4.694 -12.572 19.249 607 HA GLU 79 HA GLU 79 -5.451 -10.414 17.384 608 1HB GLU 79 HB2 GLU 79 -3.024 -10.889 17.429 609 2HB GLU 79 HB1 GLU 79 -3.356 -12.557 16.990 610 1HG GLU 79 HG2 GLU 79 -4.532 -10.607 15.164 611 2HG GLU 79 HG1 GLU 79 -2.773 -10.539 15.252 No H/Q in entry = 611 Start of MODEL 67 1 H1 THR 1 HT2 THR 1 9.370 16.979 10.559 2 H2 THR 1 HT1 THR 1 8.983 18.489 11.278 3 H3 THR 1 HT3 THR 1 9.853 18.441 9.803 4 HA THR 1 HA THR 1 11.350 18.938 11.507 5 HB THR 1 HB THR 1 9.923 18.075 13.335 6 HG1 THR 1 HG1 THR 1 11.609 17.770 14.587 7 1HG2 THR 1 1HG2 THR 1 9.323 15.896 12.327 8 2HG2 THR 1 3HG2 THR 1 10.969 15.344 12.636 9 3HG2 THR 1 2HG2 THR 1 9.917 15.774 13.983 10 H GLN 2 HN GLN 2 13.432 18.378 11.107 11 HA GLN 2 HA GLN 2 13.891 15.823 9.711 12 1HB GLN 2 HB2 GLN 2 14.215 18.299 8.631 13 2HB GLN 2 HB1 GLN 2 15.829 18.000 9.259 14 1HG GLN 2 HG2 GLN 2 14.333 16.159 7.407 15 2HG GLN 2 HG1 GLN 2 15.557 17.326 6.908 16 1HE2 GLN 2 1HE2 GLN 2 17.722 16.943 7.410 17 2HE2 GLN 2 2HE2 GLN 2 18.287 15.387 7.904 18 H GLN 3 HN GLN 3 15.777 18.332 11.435 19 HA GLN 3 HA GLN 3 17.757 16.463 12.282 20 1HB GLN 3 HB2 GLN 3 17.215 19.354 12.761 21 2HB GLN 3 HB1 GLN 3 18.272 18.520 13.891 22 1HG GLN 3 HG2 GLN 3 19.806 19.281 12.396 23 2HG GLN 3 HG1 GLN 3 19.448 17.708 11.689 24 1HE2 GLN 3 1HE2 GLN 3 18.071 17.613 9.852 25 2HE2 GLN 3 2HE2 GLN 3 17.874 18.988 8.825 26 HA PRO 4 HA PRO 4 15.675 16.628 16.547 27 1HB PRO 4 HB2 PRO 4 13.659 18.296 17.092 28 2HB PRO 4 HB1 PRO 4 15.327 18.872 17.018 29 1HG PRO 4 HG2 PRO 4 13.135 19.151 15.018 30 2HG PRO 4 HG1 PRO 4 14.409 20.300 15.456 31 1HD PRO 4 HD2 PRO 4 14.423 18.596 13.235 32 2HD PRO 4 HD1 PRO 4 15.826 19.451 13.902 33 H GLN 5 HN GLN 5 14.908 14.838 14.704 34 HA GLN 5 HA GLN 5 12.081 14.567 14.419 35 1HB GLN 5 HB2 GLN 5 14.456 13.158 13.536 36 2HB GLN 5 HB1 GLN 5 13.216 12.032 14.070 37 1HG GLN 5 HG2 GLN 5 11.641 12.920 12.511 38 2HG GLN 5 HG1 GLN 5 12.734 14.234 12.080 39 1HE2 GLN 5 1HE2 GLN 5 13.562 13.943 10.139 40 2HE2 GLN 5 2HE2 GLN 5 14.061 12.437 9.457 41 H GLN 6 HN GLN 6 14.489 12.789 16.369 42 HA GLN 6 HA GLN 6 12.574 11.265 17.803 43 1HB GLN 6 HB2 GLN 6 15.288 11.161 17.493 44 2HB GLN 6 HB1 GLN 6 15.151 11.747 19.144 45 1HG GLN 6 HG2 GLN 6 13.753 9.292 18.113 46 2HG GLN 6 HG1 GLN 6 15.325 9.272 18.911 47 1HE2 GLN 6 1HE2 GLN 6 11.921 9.488 19.315 48 2HE2 GLN 6 2HE2 GLN 6 11.908 9.536 21.042 49 H ASP 7 HN ASP 7 11.185 13.287 18.232 50 HA ASP 7 HA ASP 7 12.006 15.114 20.255 51 1HB ASP 7 HB2 ASP 7 9.250 14.435 19.209 52 2HB ASP 7 HB1 ASP 7 9.603 15.771 20.302 53 H GLU 8 HN GLU 8 10.271 12.065 20.261 54 HA GLU 8 HA GLU 8 9.382 12.191 22.961 55 1HB GLU 8 HB2 GLU 8 9.848 9.689 21.335 56 2HB GLU 8 HB1 GLU 8 8.758 9.888 22.696 57 1HG GLU 8 HG2 GLU 8 7.188 10.133 21.131 58 2HG GLU 8 HG1 GLU 8 7.814 11.775 20.990 59 H MET 9 HN MET 9 10.100 9.950 24.251 60 HA MET 9 HA MET 9 12.694 10.563 25.235 61 1HB MET 9 HB2 MET 9 10.667 8.428 25.794 62 2HB MET 9 HB1 MET 9 12.293 8.263 26.442 63 1HG MET 9 HG2 MET 9 11.405 10.895 26.996 64 2HG MET 9 HG1 MET 9 10.119 9.779 27.449 65 1HE MET 9 HE3 MET 9 12.941 11.629 28.318 66 2HE MET 9 HE2 MET 9 13.605 10.960 29.808 67 3HE MET 9 HE1 MET 9 14.197 10.392 28.246 68 HA PRO 10 HA PRO 10 15.596 8.182 22.939 69 1HB PRO 10 HB2 PRO 10 16.640 6.521 24.948 70 2HB PRO 10 HB1 PRO 10 17.238 8.118 24.496 71 1HG PRO 10 HG2 PRO 10 15.422 7.333 26.724 72 2HG PRO 10 HG1 PRO 10 16.671 8.591 26.680 73 1HD PRO 10 HD2 PRO 10 14.079 9.218 26.535 74 2HD PRO 10 HD1 PRO 10 15.286 10.097 25.572 75 H SER 11 HN SER 11 15.352 6.496 21.621 76 HA SER 11 HA SER 11 13.317 4.550 22.086 77 1HB SER 11 HB2 SER 11 15.136 5.272 19.872 78 2HB SER 11 HB1 SER 11 14.647 3.579 19.922 79 HG SER 11 HG SER 11 13.111 5.871 19.504 80 HA PRO 12 HA PRO 12 15.712 1.294 23.884 81 1HB PRO 12 HB2 PRO 12 14.276 -0.865 23.197 82 2HB PRO 12 HB1 PRO 12 13.621 0.367 24.281 83 1HG PRO 12 HG2 PRO 12 13.135 -0.031 21.354 84 2HG PRO 12 HG1 PRO 12 11.971 0.337 22.640 85 1HD PRO 12 HD2 PRO 12 13.019 2.218 20.945 86 2HD PRO 12 HD1 PRO 12 12.432 2.579 22.579 87 H THR 13 HN THR 13 16.039 -1.323 22.943 88 HA THR 13 HA THR 13 18.175 -0.979 21.082 89 HB THR 13 HB THR 13 16.883 -3.526 22.090 90 HG1 THR 13 HG1 THR 13 19.122 -2.066 23.039 91 1HG2 THR 13 1HG2 THR 13 19.463 -3.050 20.643 92 2HG2 THR 13 3HG2 THR 13 19.196 -4.465 21.661 93 3HG2 THR 13 2HG2 THR 13 18.171 -4.186 20.253 94 H PHE 14 HN PHE 14 18.326 -1.611 18.949 95 HA PHE 14 HA PHE 14 17.681 -2.341 16.872 96 1HB PHE 14 HB2 PHE 14 16.123 -3.952 18.167 97 2HB PHE 14 HB1 PHE 14 14.856 -2.784 17.807 98 HD1 PHE 14 HD1 PHE 14 14.000 -2.521 15.585 99 HD2 PHE 14 HD2 PHE 14 17.189 -5.225 16.379 100 HE1 PHE 14 HE1 PHE 14 13.678 -3.543 13.372 101 HE2 PHE 14 HE2 PHE 14 16.874 -6.252 14.166 102 HZ PHE 14 HZ PHE 14 15.117 -5.412 12.659 103 H LEU 15 HN LEU 15 15.165 -0.458 18.577 104 HA LEU 15 HA LEU 15 14.222 0.927 16.316 105 1HB LEU 15 HB2 LEU 15 14.076 1.344 19.265 106 2HB LEU 15 HB1 LEU 15 13.629 2.678 18.219 107 HG LEU 15 HG LEU 15 12.026 1.038 17.081 108 1HD1 LEU 15 2HD1 LEU 15 12.779 -0.530 19.531 109 2HD1 LEU 15 1HD1 LEU 15 11.255 -0.771 18.677 110 3HD1 LEU 15 3HD1 LEU 15 12.786 -1.055 17.848 111 1HD2 LEU 15 2HD2 LEU 15 11.532 2.882 18.822 112 2HD2 LEU 15 1HD2 LEU 15 10.300 1.662 18.501 113 3HD2 LEU 15 3HD2 LEU 15 11.307 1.540 19.943 114 H THR 16 HN THR 16 16.561 1.931 18.821 115 HA THR 16 HA THR 16 17.209 4.428 17.746 116 HB THR 16 HB THR 16 19.062 2.588 19.273 117 HG1 THR 16 HG1 THR 16 17.139 4.446 20.217 118 1HG2 THR 16 3HG2 THR 16 19.025 5.579 18.980 119 2HG2 THR 16 2HG2 THR 16 19.977 4.706 20.180 120 3HG2 THR 16 1HG2 THR 16 20.290 4.465 18.461 121 H GLN 17 HN GLN 17 18.473 1.211 17.014 122 HA GLN 17 HA GLN 17 20.666 1.981 15.438 123 1HB GLN 17 HB2 GLN 17 20.265 -0.315 16.323 124 2HB GLN 17 HB1 GLN 17 18.985 -0.512 15.135 125 1HG GLN 17 HG2 GLN 17 21.091 -1.578 14.460 126 2HG GLN 17 HG1 GLN 17 20.561 -0.334 13.330 127 1HE2 GLN 17 1HE2 GLN 17 22.295 0.609 12.511 128 2HE2 GLN 17 2HE2 GLN 17 23.674 1.147 13.404 129 H VAL 18 HN VAL 18 17.322 1.198 14.528 130 HA VAL 18 HA VAL 18 17.152 1.151 11.898 131 HB VAL 18 HB VAL 18 15.459 2.989 13.597 132 1HG1 VAL 18 3HG1 VAL 18 15.103 1.978 10.788 133 2HG1 VAL 18 2HG1 VAL 18 13.746 2.522 11.775 134 3HG1 VAL 18 1HG1 VAL 18 15.049 3.641 11.373 135 1HG2 VAL 18 1HG2 VAL 18 15.357 0.066 12.961 136 2HG2 VAL 18 3HG2 VAL 18 15.170 0.882 14.514 137 3HG2 VAL 18 2HG2 VAL 18 13.874 0.952 13.320 138 H LYS 19 HN LYS 19 17.552 4.276 13.590 139 HA LYS 19 HA LYS 19 17.534 5.973 11.419 140 1HB LYS 19 HB2 LYS 19 19.185 6.185 13.940 141 2HB LYS 19 HB1 LYS 19 18.944 7.500 12.797 142 1HG LYS 19 HG2 LYS 19 16.390 6.897 13.263 143 2HG LYS 19 HG1 LYS 19 17.085 6.348 14.789 144 1HD LYS 19 HD2 LYS 19 16.963 8.472 15.465 145 2HD LYS 19 HD1 LYS 19 18.294 8.802 14.355 146 1HE LYS 19 HE2 LYS 19 16.913 9.701 12.754 147 2HE LYS 19 HE1 LYS 19 15.510 8.778 13.290 148 1HZ LYS 19 HZ3 LYS 19 16.707 11.013 14.835 149 2HZ LYS 19 HZ2 LYS 19 15.395 11.191 13.783 150 3HZ LYS 19 HZ1 LYS 19 15.249 10.215 15.156 151 H GLU 20 HN GLU 20 20.403 4.403 12.840 152 HA GLU 20 HA GLU 20 22.237 5.398 10.941 153 1HB GLU 20 HB2 GLU 20 22.374 2.923 12.668 154 2HB GLU 20 HB1 GLU 20 23.724 3.563 11.742 155 1HG GLU 20 HG2 GLU 20 24.212 4.533 13.715 156 2HG GLU 20 HG1 GLU 20 23.093 5.757 13.119 157 H SER 21 HN SER 21 20.064 2.687 10.927 158 HA SER 21 HA SER 21 21.219 1.173 8.849 159 1HB SER 21 HB2 SER 21 19.266 0.589 10.492 160 2HB SER 21 HB1 SER 21 18.244 1.297 9.241 161 HG SER 21 HG SER 21 18.659 -0.344 7.952 162 H LEU 22 HN LEU 22 18.975 3.899 8.836 163 HA LEU 22 HA LEU 22 18.406 3.797 6.045 164 1HB LEU 22 HB2 LEU 22 17.914 5.711 8.265 165 2HB LEU 22 HB1 LEU 22 17.859 6.351 6.636 166 HG LEU 22 HG LEU 22 15.629 5.768 7.386 167 1HD1 LEU 22 2HD1 LEU 22 16.317 5.429 4.995 168 2HD1 LEU 22 1HD1 LEU 22 16.500 3.715 5.366 169 3HD1 LEU 22 3HD1 LEU 22 14.922 4.487 5.519 170 1HD2 LEU 22 2HD2 LEU 22 16.228 4.054 9.018 171 2HD2 LEU 22 1HD2 LEU 22 15.012 3.458 7.888 172 3HD2 LEU 22 3HD2 LEU 22 16.696 2.965 7.713 173 H SER 23 HN SER 23 20.795 5.491 8.024 174 HA SER 23 HA SER 23 21.798 7.232 6.075 175 1HB SER 23 HB2 SER 23 23.352 5.923 8.322 176 2HB SER 23 HB1 SER 23 23.798 7.398 7.466 177 HG SER 23 HG SER 23 21.902 6.993 9.445 178 H SER 24 HN SER 24 23.002 4.020 7.045 179 HA SER 24 HA SER 24 24.959 3.828 5.017 180 1HB SER 24 HB2 SER 24 24.942 1.386 5.555 181 2HB SER 24 HB1 SER 24 25.102 2.415 6.978 182 HG SER 24 HG SER 24 23.189 1.793 7.658 183 H TYR 25 HN TYR 25 21.545 3.531 4.901 184 HA TYR 25 HA TYR 25 21.366 1.734 2.690 185 1HB TYR 25 HB2 TYR 25 19.519 2.283 4.359 186 2HB TYR 25 HB1 TYR 25 19.300 3.790 3.478 187 HD1 TYR 25 HD1 TYR 25 18.336 3.801 1.249 188 HD2 TYR 25 HD2 TYR 25 18.877 0.154 3.372 189 HE1 TYR 25 HE1 TYR 25 16.849 2.661 -0.343 190 HE2 TYR 25 HE2 TYR 25 17.393 -0.997 1.786 191 HH TYR 25 HH TYR 25 16.720 -0.250 -0.980 192 H TRP 26 HN TRP 26 21.531 5.246 3.043 193 HA TRP 26 HA TRP 26 20.955 5.924 0.370 194 1HB TRP 26 HB2 TRP 26 22.029 7.290 2.739 195 2HB TRP 26 HB1 TRP 26 22.616 7.938 1.213 196 HD1 TRP 26 HD1 TRP 26 21.230 10.017 0.684 197 HE1 TRP 26 HE1 TRP 26 18.731 10.630 0.719 198 HE3 TRP 26 HE3 TRP 26 19.351 5.680 2.643 199 HZ2 TRP 26 HZ2 TRP 26 16.288 9.436 1.476 200 HZ3 TRP 26 HZ3 TRP 26 16.924 5.498 2.989 201 HH2 TRP 26 HH2 TRP 26 15.424 7.338 2.418 202 H GLU 27 HN GLU 27 23.982 5.164 2.015 203 HA GLU 27 HA GLU 27 25.926 5.859 0.262 204 1HB GLU 27 HB2 GLU 27 25.585 3.631 2.161 205 2HB GLU 27 HB1 GLU 27 26.789 3.354 0.911 206 1HG GLU 27 HG2 GLU 27 28.177 4.384 2.320 207 2HG GLU 27 HG1 GLU 27 27.436 5.862 1.710 208 H SER 28 HN SER 28 24.214 2.742 0.135 209 HA SER 28 HA SER 28 25.131 2.287 -2.584 210 1HB SER 28 HB2 SER 28 24.942 0.506 -0.716 211 2HB SER 28 HB1 SER 28 23.219 0.509 -1.087 212 HG SER 28 HG SER 28 25.376 -0.377 -2.619 213 H ALA 29 HN ALA 29 22.483 3.828 -1.125 214 HA ALA 29 HA ALA 29 20.351 3.079 -2.799 215 1HB ALA 29 HB2 ALA 29 19.980 4.344 -0.765 216 2HB ALA 29 HB3 ALA 29 19.309 5.206 -2.148 217 3HB ALA 29 HB1 ALA 29 20.839 5.727 -1.443 218 H LYS 30 HN LYS 30 22.997 5.340 -3.307 219 HA LYS 30 HA LYS 30 22.028 6.830 -5.430 220 1HB LYS 30 HB2 LYS 30 24.746 5.984 -4.560 221 2HB LYS 30 HB1 LYS 30 24.588 6.659 -6.174 222 1HG LYS 30 HG2 LYS 30 24.999 8.573 -5.041 223 2HG LYS 30 HG1 LYS 30 23.246 8.527 -4.846 224 1HD LYS 30 HD2 LYS 30 24.269 6.985 -2.747 225 2HD LYS 30 HD1 LYS 30 25.321 8.396 -2.846 226 1HE LYS 30 HE2 LYS 30 23.628 9.075 -1.398 227 2HE LYS 30 HE1 LYS 30 23.146 9.759 -2.949 228 1HZ LYS 30 HZ1 LYS 30 22.115 7.190 -1.875 229 2HZ LYS 30 HZ3 LYS 30 21.316 8.673 -1.715 230 3HZ LYS 30 HZ2 LYS 30 21.569 8.010 -3.250 231 H THR 31 HN THR 31 23.654 3.673 -5.561 232 HA THR 31 HA THR 31 23.812 3.268 -8.277 233 HB THR 31 HB THR 31 22.941 1.093 -6.375 234 HG1 THR 31 HG1 THR 31 24.646 1.576 -5.263 235 1HG2 THR 31 1HG2 THR 31 24.768 1.072 -8.764 236 2HG2 THR 31 3HG2 THR 31 24.471 -0.298 -7.693 237 3HG2 THR 31 2HG2 THR 31 23.155 0.365 -8.660 238 H ALA 32 HN ALA 32 21.038 2.978 -6.135 239 HA ALA 32 HA ALA 32 19.241 1.812 -7.971 240 1HB ALA 32 HB1 ALA 32 17.571 2.239 -6.425 241 2HB ALA 32 HB3 ALA 32 19.012 2.187 -5.409 242 3HB ALA 32 HB2 ALA 32 18.318 3.740 -5.876 243 H ALA 33 HN ALA 33 19.998 5.210 -7.205 244 HA ALA 33 HA ALA 33 18.105 6.506 -8.740 245 1HB ALA 33 HB3 ALA 33 20.963 7.428 -8.584 246 2HB ALA 33 HB1 ALA 33 19.846 7.551 -7.226 247 3HB ALA 33 HB2 ALA 33 19.507 8.411 -8.727 248 H GLN 34 HN GLN 34 21.327 5.461 -9.826 249 HA GLN 34 HA GLN 34 20.924 6.180 -12.532 250 1HB GLN 34 HB2 GLN 34 22.803 4.173 -11.268 251 2HB GLN 34 HB1 GLN 34 22.845 4.611 -12.971 252 1HG GLN 34 HG2 GLN 34 24.439 6.018 -12.198 253 2HG GLN 34 HG1 GLN 34 23.030 7.051 -11.968 254 1HE2 GLN 34 1HE2 GLN 34 22.812 7.945 -10.038 255 2HE2 GLN 34 2HE2 GLN 34 23.539 7.387 -8.574 256 H ASN 35 HN ASN 35 20.330 3.256 -10.670 257 HA ASN 35 HA ASN 35 19.677 1.547 -12.813 258 1HB ASN 35 HB2 ASN 35 20.136 0.818 -10.452 259 2HB ASN 35 HB1 ASN 35 18.538 1.416 -10.016 260 1HD2 ASN 35 1HD2 ASN 35 20.139 -0.758 -12.321 261 2HD2 ASN 35 2HD2 ASN 35 18.884 -1.944 -12.330 262 H LEU 36 HN LEU 36 17.891 4.057 -11.253 263 HA LEU 36 HA LEU 36 15.260 3.362 -11.892 264 1HB LEU 36 HB2 LEU 36 16.349 5.447 -10.587 265 2HB LEU 36 HB1 LEU 36 16.060 6.219 -12.135 266 HG LEU 36 HG LEU 36 13.639 5.193 -11.809 267 1HD1 LEU 36 3HD1 LEU 36 14.870 5.138 -9.097 268 2HD1 LEU 36 2HD1 LEU 36 13.177 5.604 -9.259 269 3HD1 LEU 36 1HD1 LEU 36 13.716 4.028 -9.839 270 1HD2 LEU 36 2HD2 LEU 36 14.697 7.674 -10.465 271 2HD2 LEU 36 1HD2 LEU 36 14.056 7.539 -12.103 272 3HD2 LEU 36 3HD2 LEU 36 12.987 7.327 -10.716 273 H TYR 37 HN TYR 37 17.750 5.135 -13.628 274 HA TYR 37 HA TYR 37 16.280 5.589 -16.014 275 1HB TYR 37 HB2 TYR 37 19.259 5.428 -15.495 276 2HB TYR 37 HB1 TYR 37 18.569 5.877 -17.049 277 HD1 TYR 37 HD1 TYR 37 17.150 7.961 -17.187 278 HD2 TYR 37 HD2 TYR 37 19.492 7.013 -13.764 279 HE1 TYR 37 HE1 TYR 37 17.020 10.305 -16.456 280 HE2 TYR 37 HE2 TYR 37 19.367 9.355 -13.022 281 HH TYR 37 HH TYR 37 17.325 11.410 -13.751 282 H GLU 38 HN GLU 38 18.362 3.028 -14.829 283 HA GLU 38 HA GLU 38 18.553 1.444 -17.130 284 1HB GLU 38 HB2 GLU 38 19.693 1.244 -14.748 285 2HB GLU 38 HB1 GLU 38 18.349 0.152 -14.441 286 1HG GLU 38 HG2 GLU 38 20.317 -0.125 -16.703 287 2HG GLU 38 HG1 GLU 38 20.393 -1.003 -15.176 288 H LYS 39 HN LYS 39 16.182 1.497 -14.523 289 HA LYS 39 HA LYS 39 14.603 -0.663 -15.231 290 1HB LYS 39 HB2 LYS 39 13.886 1.951 -13.908 291 2HB LYS 39 HB1 LYS 39 12.735 0.638 -14.100 292 1HG LYS 39 HG2 LYS 39 14.536 -0.791 -12.910 293 2HG LYS 39 HG1 LYS 39 15.182 0.767 -12.393 294 1HD LYS 39 HD2 LYS 39 12.284 0.087 -12.024 295 2HD LYS 39 HD1 LYS 39 13.499 -0.435 -10.857 296 1HE LYS 39 HE2 LYS 39 13.888 1.679 -10.108 297 2HE LYS 39 HE1 LYS 39 13.535 2.415 -11.670 298 1HZ LYS 39 HZ2 LYS 39 11.502 1.303 -9.810 299 2HZ LYS 39 HZ1 LYS 39 11.860 2.946 -9.991 300 3HZ LYS 39 HZ3 LYS 39 11.190 2.079 -11.280 301 H THR 40 HN THR 40 14.926 2.427 -16.797 302 HA THR 40 HA THR 40 12.441 2.506 -18.145 303 HB THR 40 HB THR 40 15.114 3.485 -19.182 304 HG1 THR 40 HG1 THR 40 14.991 4.971 -17.727 305 1HG2 THR 40 1HG2 THR 40 12.309 4.348 -19.838 306 2HG2 THR 40 3HG2 THR 40 13.771 5.202 -20.331 307 3HG2 THR 40 2HG2 THR 40 13.464 3.568 -20.920 308 H TYR 41 HN TYR 41 15.559 1.103 -18.918 309 HA TYR 41 HA TYR 41 14.823 -0.081 -21.401 310 1HB TYR 41 HB2 TYR 41 16.991 -1.078 -19.548 311 2HB TYR 41 HB1 TYR 41 16.904 -1.258 -21.295 312 HD1 TYR 41 HD1 TYR 41 18.515 0.458 -18.773 313 HD2 TYR 41 HD2 TYR 41 16.662 1.157 -22.537 314 HE1 TYR 41 HE1 TYR 41 19.837 2.513 -19.034 315 HE2 TYR 41 HE2 TYR 41 17.981 3.213 -22.811 316 HH TYR 41 HH TYR 41 20.558 3.935 -21.525 317 H LEU 42 HN LEU 42 14.839 -1.266 -18.067 318 HA LEU 42 HA LEU 42 14.166 -3.197 -17.083 319 1HB LEU 42 HB2 LEU 42 11.843 -3.702 -17.365 320 2HB LEU 42 HB1 LEU 42 12.070 -1.968 -17.419 321 HG LEU 42 HG LEU 42 12.108 -3.073 -20.090 322 1HD1 LEU 42 3HD1 LEU 42 9.690 -3.675 -18.398 323 2HD1 LEU 42 2HD1 LEU 42 9.732 -3.739 -20.160 324 3HD1 LEU 42 1HD1 LEU 42 10.731 -4.842 -19.214 325 1HD2 LEU 42 3HD2 LEU 42 11.400 -0.733 -18.838 326 2HD2 LEU 42 2HD2 LEU 42 11.087 -1.135 -20.526 327 3HD2 LEU 42 1HD2 LEU 42 9.844 -1.415 -19.308 328 HA PRO 43 HA PRO 43 15.234 -6.240 -20.364 329 1HB PRO 43 HB2 PRO 43 17.860 -6.613 -19.673 330 2HB PRO 43 HB1 PRO 43 17.300 -5.412 -20.836 331 1HG PRO 43 HG2 PRO 43 18.444 -4.990 -18.215 332 2HG PRO 43 HG1 PRO 43 18.024 -3.789 -19.444 333 1HD PRO 43 HD2 PRO 43 16.530 -4.612 -17.052 334 2HD PRO 43 HD1 PRO 43 16.352 -3.153 -18.046 335 H ALA 44 HN ALA 44 17.048 -6.559 -17.289 336 HA ALA 44 HA ALA 44 16.795 -9.357 -17.128 337 1HB ALA 44 HB2 ALA 44 17.477 -7.377 -14.965 338 2HB ALA 44 HB1 ALA 44 17.728 -9.121 -14.881 339 3HB ALA 44 HB3 ALA 44 18.611 -8.159 -16.067 340 H VAL 45 HN VAL 45 14.532 -6.936 -16.283 341 HA VAL 45 HA VAL 45 13.228 -7.782 -14.065 342 HB VAL 45 HB VAL 45 12.541 -5.794 -15.277 343 1HG1 VAL 45 1HG1 VAL 45 12.737 -6.904 -17.558 344 2HG1 VAL 45 3HG1 VAL 45 11.111 -7.524 -17.273 345 3HG1 VAL 45 2HG1 VAL 45 11.394 -5.785 -17.325 346 1HG2 VAL 45 2HG2 VAL 45 10.977 -6.945 -13.702 347 2HG2 VAL 45 1HG2 VAL 45 10.189 -5.926 -14.906 348 3HG2 VAL 45 3HG2 VAL 45 10.197 -7.680 -15.103 349 H ASP 46 HN ASP 46 12.699 -9.109 -17.335 350 HA ASP 46 HA ASP 46 10.685 -10.931 -16.577 351 1HB ASP 46 HB2 ASP 46 11.399 -10.165 -18.945 352 2HB ASP 46 HB1 ASP 46 12.601 -11.448 -18.839 353 H GLU 47 HN GLU 47 14.197 -11.110 -16.538 354 HA GLU 47 HA GLU 47 14.375 -13.919 -16.089 355 1HB GLU 47 HB2 GLU 47 16.386 -13.028 -16.815 356 2HB GLU 47 HB1 GLU 47 16.241 -11.597 -15.810 357 1HG GLU 47 HG2 GLU 47 16.627 -14.240 -14.495 358 2HG GLU 47 HG1 GLU 47 18.001 -13.465 -15.281 359 H LYS 48 HN LYS 48 14.077 -11.115 -13.976 360 HA LYS 48 HA LYS 48 14.532 -12.436 -11.524 361 1HB LYS 48 HB2 LYS 48 12.901 -9.955 -12.094 362 2HB LYS 48 HB1 LYS 48 13.433 -10.475 -10.501 363 1HG LYS 48 HG2 LYS 48 15.594 -10.227 -12.457 364 2HG LYS 48 HG1 LYS 48 14.752 -8.717 -12.105 365 1HD LYS 48 HD2 LYS 48 15.138 -9.055 -9.715 366 2HD LYS 48 HD1 LYS 48 15.965 -10.575 -10.059 367 1HE LYS 48 HE2 LYS 48 17.860 -9.546 -10.703 368 2HE LYS 48 HE1 LYS 48 16.995 -8.253 -11.531 369 1HZ LYS 48 HZ3 LYS 48 17.383 -8.449 -8.591 370 2HZ LYS 48 HZ2 LYS 48 18.251 -7.433 -9.629 371 3HZ LYS 48 HZ1 LYS 48 16.592 -7.194 -9.407 372 H LEU 49 HN LEU 49 11.795 -12.401 -13.643 373 HA LEU 49 HA LEU 49 9.740 -12.942 -11.785 374 1HB LEU 49 HB2 LEU 49 9.942 -13.820 -14.673 375 2HB LEU 49 HB1 LEU 49 8.481 -13.815 -13.707 376 HG LEU 49 HG LEU 49 10.041 -11.325 -14.391 377 1HD1 LEU 49 3HD1 LEU 49 9.141 -12.425 -16.407 378 2HD1 LEU 49 2HD1 LEU 49 7.532 -12.379 -15.687 379 3HD1 LEU 49 1HD1 LEU 49 8.370 -10.875 -16.072 380 1HD2 LEU 49 2HD2 LEU 49 7.297 -11.762 -13.216 381 2HD2 LEU 49 1HD2 LEU 49 8.703 -11.084 -12.396 382 3HD2 LEU 49 3HD2 LEU 49 7.944 -10.201 -13.721 383 H ARG 50 HN ARG 50 11.373 -15.198 -14.021 384 HA ARG 50 HA ARG 50 10.506 -17.532 -12.686 385 1HB ARG 50 HB2 ARG 50 12.008 -16.921 -15.006 386 2HB ARG 50 HB1 ARG 50 13.022 -17.964 -14.018 387 1HG ARG 50 HG2 ARG 50 11.911 -19.553 -15.188 388 2HG ARG 50 HG1 ARG 50 10.779 -19.364 -13.847 389 1HD ARG 50 HD2 ARG 50 10.591 -18.166 -16.606 390 2HD ARG 50 HD1 ARG 50 9.519 -19.359 -15.877 391 HE ARG 50 HE ARG 50 9.425 -16.515 -15.542 392 1HH1 ARG 50 1HH1 ARG 50 8.628 -19.568 -14.017 393 2HH1 ARG 50 2HH1 ARG 50 7.369 -18.891 -13.042 394 1HH2 ARG 50 1HH2 ARG 50 7.766 -15.633 -14.254 395 2HH2 ARG 50 2HH2 ARG 50 6.878 -16.658 -13.178 396 H ASP 51 HN ASP 51 13.282 -15.423 -12.312 397 HA ASP 51 HA ASP 51 14.935 -17.015 -10.733 398 1HB ASP 51 HB2 ASP 51 15.759 -14.937 -11.601 399 2HB ASP 51 HB1 ASP 51 14.512 -14.025 -10.760 400 H LEU 52 HN LEU 52 12.480 -14.662 -9.658 401 HA LEU 52 HA LEU 52 12.714 -15.144 -6.911 402 1HB LEU 52 HB2 LEU 52 10.432 -14.130 -8.592 403 2HB LEU 52 HB1 LEU 52 10.317 -14.262 -6.847 404 HG LEU 52 HG LEU 52 12.557 -12.704 -8.089 405 1HD1 LEU 52 2HD1 LEU 52 10.459 -11.889 -9.097 406 2HD1 LEU 52 1HD1 LEU 52 9.816 -11.610 -7.479 407 3HD1 LEU 52 3HD1 LEU 52 11.217 -10.698 -8.041 408 1HD2 LEU 52 1HD2 LEU 52 11.070 -12.493 -5.473 409 2HD2 LEU 52 3HD2 LEU 52 12.671 -13.194 -5.707 410 3HD2 LEU 52 2HD2 LEU 52 12.417 -11.471 -5.977 411 H TYR 53 HN TYR 53 10.987 -16.897 -9.407 412 HA TYR 53 HA TYR 53 9.282 -18.395 -7.704 413 1HB TYR 53 HB2 TYR 53 10.052 -18.428 -10.541 414 2HB TYR 53 HB1 TYR 53 9.665 -20.016 -9.890 415 HD1 TYR 53 HD1 TYR 53 7.411 -20.567 -9.215 416 HD2 TYR 53 HD2 TYR 53 8.348 -16.676 -10.656 417 HE1 TYR 53 HE1 TYR 53 5.012 -20.092 -9.472 418 HE2 TYR 53 HE2 TYR 53 5.952 -16.189 -10.917 419 HH TYR 53 HH TYR 53 3.705 -18.121 -11.227 420 H SER 54 HN SER 54 12.407 -19.175 -9.237 421 HA SER 54 HA SER 54 12.704 -21.738 -8.127 422 1HB SER 54 HB2 SER 54 14.901 -19.803 -8.908 423 2HB SER 54 HB1 SER 54 15.060 -21.551 -8.740 424 HG SER 54 HG SER 54 13.969 -20.057 -10.792 425 H LYS 55 HN LYS 55 13.919 -18.581 -7.018 426 HA LYS 55 HA LYS 55 15.268 -19.505 -4.732 427 1HB LYS 55 HB2 LYS 55 14.060 -16.830 -5.423 428 2HB LYS 55 HB1 LYS 55 14.935 -17.107 -3.924 429 1HG LYS 55 HG2 LYS 55 16.954 -17.561 -5.084 430 2HG LYS 55 HG1 LYS 55 16.121 -17.617 -6.639 431 1HD LYS 55 HD2 LYS 55 15.736 -15.289 -6.629 432 2HD LYS 55 HD1 LYS 55 16.152 -15.150 -4.919 433 1HE LYS 55 HE2 LYS 55 18.467 -15.676 -5.412 434 2HE LYS 55 HE1 LYS 55 18.074 -15.923 -7.113 435 1HZ LYS 55 HZ3 LYS 55 17.407 -13.578 -7.227 436 2HZ LYS 55 HZ2 LYS 55 17.883 -13.363 -5.618 437 3HZ LYS 55 HZ1 LYS 55 19.033 -13.755 -6.793 438 H SER 56 HN SER 56 11.924 -18.445 -5.213 439 HA SER 56 HA SER 56 11.125 -18.441 -2.520 440 1HB SER 56 HB2 SER 56 9.829 -17.383 -4.321 441 2HB SER 56 HB1 SER 56 9.445 -18.973 -4.980 442 HG SER 56 HG SER 56 8.025 -19.284 -3.430 443 H THR 57 HN THR 57 11.739 -21.145 -4.617 444 HA THR 57 HA THR 57 9.981 -23.039 -3.577 445 HB THR 57 HB THR 57 12.805 -23.562 -4.521 446 HG1 THR 57 HG1 THR 57 10.405 -23.263 -6.001 447 1HG2 THR 57 1HG2 THR 57 10.357 -25.307 -4.520 448 2HG2 THR 57 3HG2 THR 57 11.868 -25.686 -5.346 449 3HG2 THR 57 2HG2 THR 57 11.834 -25.547 -3.588 450 H ALA 58 HN ALA 58 13.408 -22.568 -2.657 451 HA ALA 58 HA ALA 58 12.989 -24.118 -0.234 452 1HB ALA 58 HB1 ALA 58 15.016 -24.477 -1.541 453 2HB ALA 58 HB3 ALA 58 15.487 -22.797 -1.284 454 3HB ALA 58 HB2 ALA 58 15.397 -23.908 0.083 455 H ALA 59 HN ALA 59 13.760 -20.770 -1.127 456 HA ALA 59 HA ALA 59 14.234 -19.791 1.463 457 1HB ALA 59 HB3 ALA 59 14.040 -17.603 0.537 458 2HB ALA 59 HB1 ALA 59 13.112 -18.204 -0.836 459 3HB ALA 59 HB2 ALA 59 14.814 -18.631 -0.669 460 H MET 60 HN MET 60 11.262 -19.414 -0.504 461 HA MET 60 HA MET 60 9.726 -18.279 1.552 462 1HB MET 60 HB2 MET 60 9.310 -18.497 -1.043 463 2HB MET 60 HB1 MET 60 8.404 -19.925 -0.559 464 1HG MET 60 HG2 MET 60 6.789 -18.282 -0.610 465 2HG MET 60 HG1 MET 60 7.225 -18.344 1.097 466 1HE MET 60 HE2 MET 60 5.658 -16.250 0.644 467 2HE MET 60 HE1 MET 60 6.676 -15.624 1.940 468 3HE MET 60 HE3 MET 60 6.354 -14.635 0.515 469 H SER 61 HN SER 61 10.442 -21.634 0.827 470 HA SER 61 HA SER 61 8.318 -22.791 2.302 471 1HB SER 61 HB2 SER 61 9.687 -24.013 0.616 472 2HB SER 61 HB1 SER 61 11.041 -23.988 1.744 473 HG SER 61 HG SER 61 10.135 -25.534 2.859 474 H THR 62 HN THR 62 11.149 -21.173 3.320 475 HA THR 62 HA THR 62 11.071 -22.413 5.977 476 HB THR 62 HB THR 62 13.102 -20.436 4.923 477 HG1 THR 62 HG1 THR 62 13.159 -23.272 4.880 478 1HG2 THR 62 1HG2 THR 62 13.124 -22.317 7.264 479 2HG2 THR 62 3HG2 THR 62 14.565 -21.527 6.628 480 3HG2 THR 62 2HG2 THR 62 13.247 -20.558 7.284 481 H TYR 63 HN TYR 63 11.127 -19.198 4.441 482 HA TYR 63 HA TYR 63 10.581 -17.732 6.771 483 1HB TYR 63 HB2 TYR 63 10.303 -17.104 3.838 484 2HB TYR 63 HB1 TYR 63 9.862 -15.942 5.084 485 HD1 TYR 63 HD1 TYR 63 12.478 -17.125 3.034 486 HD2 TYR 63 HD2 TYR 63 11.719 -15.445 6.868 487 HE1 TYR 63 HE1 TYR 63 14.821 -16.394 3.170 488 HE2 TYR 63 HE2 TYR 63 14.060 -14.708 7.015 489 HH TYR 63 HH TYR 63 16.415 -15.770 5.623 490 H THR 64 HN THR 64 8.536 -19.618 4.708 491 HA THR 64 HA THR 64 6.120 -18.225 5.277 492 HB THR 64 HB THR 64 6.739 -20.940 4.161 493 HG1 THR 64 HG1 THR 64 5.348 -18.666 3.190 494 1HG2 THR 64 3HG2 THR 64 4.030 -19.982 5.019 495 2HG2 THR 64 2HG2 THR 64 4.255 -21.164 3.730 496 3HG2 THR 64 1HG2 THR 64 4.814 -21.524 5.364 497 H GLY 65 HN GLY 65 7.370 -21.321 6.510 498 1HA GLY 65 HA1 GLY 65 7.013 -22.380 8.520 499 2HA GLY 65 HA2 GLY 65 5.460 -21.552 8.581 500 H ILE 66 HN ILE 66 8.669 -20.093 8.416 501 HA ILE 66 HA ILE 66 8.944 -19.500 11.168 502 HB ILE 66 HB ILE 66 10.327 -18.667 8.680 503 1HG1 ILE 66 2HG1 ILE 66 12.315 -19.165 10.155 504 2HG1 ILE 66 1HG1 ILE 66 11.178 -19.597 11.427 505 1HG2 ILE 66 1HG2 ILE 66 10.299 -16.965 11.152 506 2HG2 ILE 66 3HG2 ILE 66 11.686 -16.997 10.062 507 3HG2 ILE 66 2HG2 ILE 66 10.110 -16.475 9.468 508 1HD1 ILE 66 3HD1 ILE 66 10.222 -21.245 9.691 509 2HD1 ILE 66 2HD1 ILE 66 11.754 -20.998 8.855 510 3HD1 ILE 66 1HD1 ILE 66 11.739 -21.634 10.500 511 H PHE 67 HN PHE 67 8.104 -17.335 8.448 512 HA PHE 67 HA PHE 67 7.462 -15.067 9.894 513 1HB PHE 67 HB2 PHE 67 7.582 -15.083 7.448 514 2HB PHE 67 HB1 PHE 67 6.117 -16.058 7.369 515 HD1 PHE 67 HD1 PHE 67 3.977 -15.069 7.514 516 HD2 PHE 67 HD2 PHE 67 7.458 -12.741 8.275 517 HE1 PHE 67 HE1 PHE 67 2.615 -13.021 7.460 518 HE2 PHE 67 HE2 PHE 67 6.102 -10.689 8.224 519 HZ PHE 67 HZ PHE 67 3.677 -10.828 7.817 520 H THR 68 HN THR 68 5.157 -17.550 8.788 521 HA THR 68 HA THR 68 2.951 -16.517 10.194 522 HB THR 68 HB THR 68 3.352 -19.379 9.322 523 HG1 THR 68 HG1 THR 68 3.479 -18.498 7.419 524 1HG2 THR 68 2HG2 THR 68 0.908 -17.745 9.898 525 2HG2 THR 68 1HG2 THR 68 0.862 -19.177 8.870 526 3HG2 THR 68 3HG2 THR 68 1.368 -19.317 10.553 527 H ASP 69 HN ASP 69 5.635 -18.336 11.288 528 HA ASP 69 HA ASP 69 4.521 -19.797 13.397 529 1HB ASP 69 HB2 ASP 69 7.082 -19.369 12.463 530 2HB ASP 69 HB1 ASP 69 7.121 -18.614 14.052 531 H GLN 70 HN GLN 70 6.081 -16.586 13.597 532 HA GLN 70 HA GLN 70 5.163 -16.096 16.245 533 1HB GLN 70 HB2 GLN 70 7.057 -14.963 14.612 534 2HB GLN 70 HB1 GLN 70 5.811 -13.724 14.644 535 1HG GLN 70 HG2 GLN 70 7.076 -14.959 17.080 536 2HG GLN 70 HG1 GLN 70 7.540 -13.414 16.369 537 1HE2 GLN 70 1HE2 GLN 70 5.787 -11.781 16.201 538 2HE2 GLN 70 2HE2 GLN 70 4.633 -11.702 17.483 539 H VAL 71 HN VAL 71 3.755 -15.626 13.119 540 HA VAL 71 HA VAL 71 1.880 -13.601 13.799 541 HB VAL 71 HB VAL 71 1.770 -15.695 11.612 542 1HG1 VAL 71 2HG1 VAL 71 0.015 -13.317 12.169 543 2HG1 VAL 71 1HG1 VAL 71 0.135 -14.057 10.573 544 3HG1 VAL 71 3HG1 VAL 71 -0.460 -15.000 11.940 545 1HG2 VAL 71 1HG2 VAL 71 3.579 -13.751 11.765 546 2HG2 VAL 71 3HG2 VAL 71 2.867 -14.253 10.232 547 3HG2 VAL 71 2HG2 VAL 71 2.259 -12.819 11.061 548 H LEU 72 HN LEU 72 1.600 -17.116 13.411 549 HA LEU 72 HA LEU 72 -1.013 -17.414 14.365 550 1HB LEU 72 HB2 LEU 72 0.543 -19.135 13.215 551 2HB LEU 72 HB1 LEU 72 1.150 -19.451 14.828 552 HG LEU 72 HG LEU 72 -1.297 -19.902 15.469 553 1HD1 LEU 72 1HD1 LEU 72 -1.508 -20.112 12.468 554 2HD1 LEU 72 3HD1 LEU 72 -2.725 -20.649 13.626 555 3HD1 LEU 72 2HD1 LEU 72 -2.332 -18.936 13.492 556 1HD2 LEU 72 1HD2 LEU 72 0.141 -21.752 13.568 557 2HD2 LEU 72 3HD2 LEU 72 0.395 -21.644 15.310 558 3HD2 LEU 72 2HD2 LEU 72 -1.149 -22.216 14.679 559 H SER 73 HN SER 73 2.099 -17.151 15.975 560 HA SER 73 HA SER 73 1.336 -17.913 18.560 561 1HB SER 73 HB2 SER 73 3.698 -17.401 17.655 562 2HB SER 73 HB1 SER 73 3.332 -15.718 18.030 563 HG SER 73 HG SER 73 4.302 -16.548 19.822 564 H VAL 74 HN VAL 74 1.040 -14.839 16.882 565 HA VAL 74 HA VAL 74 0.125 -13.367 19.155 566 HB VAL 74 HB VAL 74 -0.317 -12.728 16.230 567 1HG1 VAL 74 2HG1 VAL 74 -0.623 -11.162 18.765 568 2HG1 VAL 74 1HG1 VAL 74 -0.260 -10.347 17.243 569 3HG1 VAL 74 3HG1 VAL 74 -1.731 -11.308 17.400 570 1HG2 VAL 74 1HG2 VAL 74 2.098 -12.735 17.812 571 2HG2 VAL 74 3HG2 VAL 74 1.884 -12.435 16.087 572 3HG2 VAL 74 2HG2 VAL 74 1.721 -11.111 17.240 573 H LEU 75 HN LEU 75 -1.353 -15.665 17.089 574 HA LEU 75 HA LEU 75 -4.024 -14.743 17.120 575 1HB LEU 75 HB2 LEU 75 -2.793 -16.722 15.815 576 2HB LEU 75 HB1 LEU 75 -3.474 -17.663 17.127 577 HG LEU 75 HG LEU 75 -5.724 -16.619 16.491 578 1HD1 LEU 75 2HD1 LEU 75 -4.567 -14.865 15.044 579 2HD1 LEU 75 1HD1 LEU 75 -4.387 -16.148 13.847 580 3HD1 LEU 75 3HD1 LEU 75 -5.996 -15.654 14.376 581 1HD2 LEU 75 3HD2 LEU 75 -4.337 -18.482 14.567 582 2HD2 LEU 75 2HD2 LEU 75 -5.162 -18.946 16.056 583 3HD2 LEU 75 1HD2 LEU 75 -6.081 -18.266 14.713 584 H LYS 76 HN LYS 76 -2.181 -16.857 19.213 585 HA LYS 76 HA LYS 76 -4.330 -17.484 20.982 586 1HB LYS 76 HB2 LYS 76 -1.938 -18.610 20.568 587 2HB LYS 76 HB1 LYS 76 -1.523 -17.612 21.955 588 1HG LYS 76 HG2 LYS 76 -3.240 -18.669 23.281 589 2HG LYS 76 HG1 LYS 76 -3.780 -19.605 21.885 590 1HD LYS 76 HD2 LYS 76 -0.918 -19.839 22.576 591 2HD LYS 76 HD1 LYS 76 -2.053 -20.533 23.735 592 1HE LYS 76 HE2 LYS 76 -1.593 -22.298 22.281 593 2HE LYS 76 HE1 LYS 76 -3.133 -21.666 21.702 594 1HZ LYS 76 HZ2 LYS 76 -0.544 -20.810 20.546 595 2HZ LYS 76 HZ1 LYS 76 -1.386 -22.158 19.969 596 3HZ LYS 76 HZ3 LYS 76 -2.094 -20.623 19.895 597 H GLY 77 HN GLY 77 -1.628 -15.170 21.128 598 1HA GLY 77 HA1 GLY 77 -1.216 -13.398 22.530 599 2HA GLY 77 HA2 GLY 77 -2.266 -14.169 23.709 600 H GLU 78 HN GLU 78 -2.388 -12.295 20.682 601 HA GLU 78 HA GLU 78 -4.286 -10.468 21.797 602 1HB GLU 78 HB2 GLU 78 -3.037 -10.776 19.078 603 2HB GLU 78 HB1 GLU 78 -4.320 -9.608 19.362 604 1HG GLU 78 HG2 GLU 78 -2.859 -8.730 21.262 605 2HG GLU 78 HG1 GLU 78 -1.565 -9.683 20.538 606 H GLU 79 HN GLU 79 -4.624 -12.154 18.672 607 HA GLU 79 HA GLU 79 -7.021 -13.504 19.370 608 1HB GLU 79 HB2 GLU 79 -7.452 -10.831 18.948 609 2HB GLU 79 HB1 GLU 79 -7.743 -11.495 17.347 610 1HG GLU 79 HG2 GLU 79 -9.110 -12.325 19.898 611 2HG GLU 79 HG1 GLU 79 -9.804 -11.349 18.605 No H/Q in entry = 611 Start of MODEL 68 1 H1 THR 1 HT3 THR 1 30.820 -15.723 21.288 2 H2 THR 1 HT2 THR 1 30.234 -16.460 22.724 3 H3 THR 1 HT1 THR 1 29.171 -15.557 21.725 4 HA THR 1 HA THR 1 29.704 -14.270 23.591 5 HB THR 1 HB THR 1 31.788 -15.523 24.121 6 HG1 THR 1 HG1 THR 1 31.679 -13.721 25.287 7 1HG2 THR 1 1HG2 THR 1 32.821 -15.505 21.885 8 2HG2 THR 1 3HG2 THR 1 33.109 -13.773 22.061 9 3HG2 THR 1 2HG2 THR 1 33.897 -14.914 23.151 10 H GLN 2 HN GLN 2 29.799 -12.037 23.413 11 HA GLN 2 HA GLN 2 29.612 -10.035 22.354 12 1HB GLN 2 HB2 GLN 2 31.935 -10.987 20.671 13 2HB GLN 2 HB1 GLN 2 31.482 -9.324 21.014 14 1HG GLN 2 HG2 GLN 2 32.571 -11.340 22.966 15 2HG GLN 2 HG1 GLN 2 33.403 -9.924 22.324 16 1HE2 GLN 2 1HE2 GLN 2 32.524 -7.815 22.890 17 2HE2 GLN 2 2HE2 GLN 2 31.736 -7.613 24.414 18 H GLN 3 HN GLN 3 27.734 -11.695 21.458 19 HA GLN 3 HA GLN 3 27.110 -10.683 18.891 20 1HB GLN 3 HB2 GLN 3 28.685 -13.024 18.848 21 2HB GLN 3 HB1 GLN 3 27.052 -13.527 18.436 22 1HG GLN 3 HG2 GLN 3 28.453 -11.240 17.082 23 2HG GLN 3 HG1 GLN 3 28.541 -12.905 16.509 24 1HE2 GLN 3 1HE2 GLN 3 26.632 -13.911 15.743 25 2HE2 GLN 3 2HE2 GLN 3 25.291 -12.971 15.195 26 HA PRO 4 HA PRO 4 23.549 -13.583 20.249 27 1HB PRO 4 HB2 PRO 4 23.912 -15.382 22.222 28 2HB PRO 4 HB1 PRO 4 24.362 -15.723 20.548 29 1HG PRO 4 HG2 PRO 4 26.092 -14.877 22.839 30 2HG PRO 4 HG1 PRO 4 26.399 -16.109 21.600 31 1HD PRO 4 HD2 PRO 4 27.446 -13.591 21.511 32 2HD PRO 4 HD1 PRO 4 27.113 -14.564 20.066 33 H GLN 5 HN GLN 5 23.105 -11.389 21.051 34 HA GLN 5 HA GLN 5 23.430 -10.752 23.814 35 1HB GLN 5 HB2 GLN 5 22.746 -9.349 21.491 36 2HB GLN 5 HB1 GLN 5 21.319 -9.249 22.514 37 1HG GLN 5 HG2 GLN 5 23.920 -8.706 23.806 38 2HG GLN 5 HG1 GLN 5 23.342 -7.516 22.642 39 1HE2 GLN 5 1HE2 GLN 5 22.476 -9.266 25.580 40 2HE2 GLN 5 2HE2 GLN 5 21.393 -8.066 26.189 41 H GLN 6 HN GLN 6 22.319 -11.612 25.431 42 HA GLN 6 HA GLN 6 19.981 -13.171 25.063 43 1HB GLN 6 HB2 GLN 6 21.607 -12.265 27.377 44 2HB GLN 6 HB1 GLN 6 19.954 -12.756 27.718 45 1HG GLN 6 HG2 GLN 6 21.511 -14.598 28.017 46 2HG GLN 6 HG1 GLN 6 20.368 -14.928 26.716 47 1HE2 GLN 6 1HE2 GLN 6 23.657 -13.827 27.384 48 2HE2 GLN 6 2HE2 GLN 6 24.339 -14.396 25.902 49 H ASP 7 HN ASP 7 17.963 -12.746 26.493 50 HA ASP 7 HA ASP 7 16.765 -10.329 25.580 51 1HB ASP 7 HB2 ASP 7 15.526 -12.470 25.880 52 2HB ASP 7 HB1 ASP 7 15.696 -12.288 27.623 53 H GLU 8 HN GLU 8 17.235 -8.409 26.435 54 HA GLU 8 HA GLU 8 18.239 -8.050 29.076 55 1HB GLU 8 HB2 GLU 8 17.112 -5.961 27.200 56 2HB GLU 8 HB1 GLU 8 18.138 -5.665 28.595 57 1HG GLU 8 HG2 GLU 8 19.860 -5.716 27.205 58 2HG GLU 8 HG1 GLU 8 19.594 -7.453 27.069 59 H MET 9 HN MET 9 17.242 -6.688 30.740 60 HA MET 9 HA MET 9 14.600 -7.551 31.347 61 1HB MET 9 HB2 MET 9 16.650 -5.855 32.658 62 2HB MET 9 HB1 MET 9 14.983 -5.576 33.140 63 1HG MET 9 HG2 MET 9 15.618 -7.145 34.670 64 2HG MET 9 HG1 MET 9 14.932 -8.171 33.411 65 1HE MET 9 HE2 MET 9 17.932 -7.363 35.585 66 2HE MET 9 HE1 MET 9 19.338 -7.808 34.616 67 3HE MET 9 HE3 MET 9 18.395 -6.378 34.197 68 HA PRO 10 HA PRO 10 13.247 -3.057 30.397 69 1HB PRO 10 HB2 PRO 10 15.012 -1.236 29.527 70 2HB PRO 10 HB1 PRO 10 14.862 -1.625 31.244 71 1HG PRO 10 HG2 PRO 10 16.899 -2.555 29.261 72 2HG PRO 10 HG1 PRO 10 17.127 -2.036 30.940 73 1HD PRO 10 HD2 PRO 10 16.997 -4.662 30.136 74 2HD PRO 10 HD1 PRO 10 16.599 -4.099 31.770 75 H SER 11 HN SER 11 13.341 -1.426 28.304 76 HA SER 11 HA SER 11 12.823 -3.132 26.073 77 1HB SER 11 HB2 SER 11 12.812 -0.135 26.427 78 2HB SER 11 HB1 SER 11 12.490 -0.895 24.869 79 HG SER 11 HG SER 11 10.962 -0.898 27.209 80 HA PRO 12 HA PRO 12 17.040 -3.181 24.567 81 1HB PRO 12 HB2 PRO 12 16.508 -4.446 22.209 82 2HB PRO 12 HB1 PRO 12 16.631 -5.286 23.758 83 1HG PRO 12 HG2 PRO 12 14.188 -4.394 22.276 84 2HG PRO 12 HG1 PRO 12 14.488 -5.924 23.121 85 1HD PRO 12 HD2 PRO 12 13.029 -3.941 24.219 86 2HD PRO 12 HD1 PRO 12 14.059 -5.005 25.198 87 H THR 13 HN THR 13 18.239 -1.878 23.268 88 HA THR 13 HA THR 13 16.958 0.323 21.983 89 HB THR 13 HB THR 13 19.324 0.909 21.277 90 HG1 THR 13 HG1 THR 13 20.143 -1.142 23.027 91 1HG2 THR 13 1HG2 THR 13 18.902 0.387 24.209 92 2HG2 THR 13 3HG2 THR 13 20.121 1.451 23.511 93 3HG2 THR 13 2HG2 THR 13 18.409 1.832 23.326 94 H PHE 14 HN PHE 14 15.658 -0.634 20.357 95 HA PHE 14 HA PHE 14 17.159 -1.706 18.060 96 1HB PHE 14 HB2 PHE 14 15.120 -2.827 17.345 97 2HB PHE 14 HB1 PHE 14 15.517 -3.287 18.995 98 HD1 PHE 14 HD1 PHE 14 14.054 -2.780 20.803 99 HD2 PHE 14 HD2 PHE 14 13.228 -1.310 16.896 100 HE1 PHE 14 HE1 PHE 14 11.787 -2.156 21.522 101 HE2 PHE 14 HE2 PHE 14 10.959 -0.682 17.608 102 HZ PHE 14 HZ PHE 14 10.236 -1.104 19.924 103 H LEU 15 HN LEU 15 14.645 0.586 19.031 104 HA LEU 15 HA LEU 15 13.981 1.536 16.468 105 1HB LEU 15 HB2 LEU 15 13.071 2.005 18.994 106 2HB LEU 15 HB1 LEU 15 13.914 3.505 18.659 107 HG LEU 15 HG LEU 15 11.571 3.735 18.108 108 1HD1 LEU 15 1HD1 LEU 15 13.337 4.826 16.688 109 2HD1 LEU 15 3HD1 LEU 15 13.089 3.528 15.519 110 3HD1 LEU 15 2HD1 LEU 15 11.763 4.619 15.921 111 1HD2 LEU 15 3HD2 LEU 15 12.014 1.386 16.269 112 2HD2 LEU 15 2HD2 LEU 15 10.994 1.427 17.707 113 3HD2 LEU 15 1HD2 LEU 15 10.566 2.393 16.295 114 H THR 16 HN THR 16 16.412 2.628 18.818 115 HA THR 16 HA THR 16 17.311 4.894 17.461 116 HB THR 16 HB THR 16 17.931 4.356 19.784 117 HG1 THR 16 HG1 THR 16 19.321 5.803 19.064 118 1HG2 THR 16 2HG2 THR 16 18.396 1.921 19.406 119 2HG2 THR 16 1HG2 THR 16 19.929 2.405 18.682 120 3HG2 THR 16 3HG2 THR 16 19.593 2.786 20.370 121 H GLN 17 HN GLN 17 18.198 1.495 17.063 122 HA GLN 17 HA GLN 17 20.408 1.863 15.366 123 1HB GLN 17 HB2 GLN 17 19.740 -0.278 16.517 124 2HB GLN 17 HB1 GLN 17 18.485 -0.467 15.301 125 1HG GLN 17 HG2 GLN 17 20.500 -1.791 14.823 126 2HG GLN 17 HG1 GLN 17 20.128 -0.626 13.554 127 1HE2 GLN 17 1HE2 GLN 17 21.642 0.815 12.977 128 2HE2 GLN 17 2HE2 GLN 17 23.163 1.020 13.769 129 H VAL 18 HN VAL 18 17.006 1.167 14.582 130 HA VAL 18 HA VAL 18 16.801 0.966 11.958 131 HB VAL 18 HB VAL 18 15.154 2.964 13.517 132 1HG1 VAL 18 1HG1 VAL 18 14.724 1.613 10.865 133 2HG1 VAL 18 3HG1 VAL 18 13.401 2.305 11.804 134 3HG1 VAL 18 2HG1 VAL 18 14.712 3.338 11.231 135 1HG2 VAL 18 1HG2 VAL 18 15.060 -0.012 13.268 136 2HG2 VAL 18 3HG2 VAL 18 14.848 1.004 14.693 137 3HG2 VAL 18 2HG2 VAL 18 13.563 0.893 13.491 138 H LYS 19 HN LYS 19 17.219 4.178 13.463 139 HA LYS 19 HA LYS 19 17.224 5.747 11.201 140 1HB LYS 19 HB2 LYS 19 18.805 6.074 13.751 141 2HB LYS 19 HB1 LYS 19 18.682 7.321 12.518 142 1HG LYS 19 HG2 LYS 19 16.884 8.057 13.586 143 2HG LYS 19 HG1 LYS 19 16.051 6.605 13.029 144 1HD LYS 19 HD2 LYS 19 17.098 5.487 15.112 145 2HD LYS 19 HD1 LYS 19 17.354 7.138 15.676 146 1HE LYS 19 HE2 LYS 19 14.855 7.474 15.146 147 2HE LYS 19 HE1 LYS 19 14.774 5.713 15.115 148 1HZ LYS 19 HZ3 LYS 19 15.870 7.226 17.416 149 2HZ LYS 19 HZ2 LYS 19 14.239 6.797 17.297 150 3HZ LYS 19 HZ1 LYS 19 15.424 5.594 17.363 151 H GLU 20 HN GLU 20 20.098 4.312 12.753 152 HA GLU 20 HA GLU 20 21.929 5.179 10.790 153 1HB GLU 20 HB2 GLU 20 22.076 2.884 12.747 154 2HB GLU 20 HB1 GLU 20 23.422 3.397 11.741 155 1HG GLU 20 HG2 GLU 20 23.913 4.515 13.657 156 2HG GLU 20 HG1 GLU 20 22.932 5.732 12.843 157 H SER 21 HN SER 21 19.788 2.453 10.959 158 HA SER 21 HA SER 21 21.001 0.785 9.037 159 1HB SER 21 HB2 SER 21 18.023 0.976 9.511 160 2HB SER 21 HB1 SER 21 18.950 -0.427 8.982 161 HG SER 21 HG SER 21 18.330 -0.394 11.258 162 H LEU 22 HN LEU 22 18.672 3.433 8.747 163 HA LEU 22 HA LEU 22 18.222 3.106 5.953 164 1HB LEU 22 HB2 LEU 22 17.129 4.651 8.006 165 2HB LEU 22 HB1 LEU 22 17.832 5.818 6.905 166 HG LEU 22 HG LEU 22 15.491 5.453 6.376 167 1HD1 LEU 22 1HD1 LEU 22 17.118 5.900 4.557 168 2HD1 LEU 22 3HD1 LEU 22 17.215 4.163 4.270 169 3HD1 LEU 22 2HD1 LEU 22 15.688 5.013 4.029 170 1HD2 LEU 22 1HD2 LEU 22 15.402 3.125 7.277 171 2HD2 LEU 22 3HD2 LEU 22 14.607 3.335 5.717 172 3HD2 LEU 22 2HD2 LEU 22 16.200 2.582 5.801 173 H SER 23 HN SER 23 20.484 5.015 7.882 174 HA SER 23 HA SER 23 21.472 6.679 5.861 175 1HB SER 23 HB2 SER 23 21.956 6.950 8.297 176 2HB SER 23 HB1 SER 23 23.039 5.563 8.198 177 HG SER 23 HG SER 23 24.501 6.780 7.294 178 H SER 24 HN SER 24 22.510 3.444 6.885 179 HA SER 24 HA SER 24 24.700 3.222 5.116 180 1HB SER 24 HB2 SER 24 22.980 1.029 6.304 181 2HB SER 24 HB1 SER 24 24.563 0.802 5.562 182 HG SER 24 HG SER 24 23.891 1.847 8.042 183 H TYR 25 HN TYR 25 21.293 3.019 4.595 184 HA TYR 25 HA TYR 25 21.450 1.455 2.181 185 1HB TYR 25 HB2 TYR 25 19.410 1.331 3.461 186 2HB TYR 25 HB1 TYR 25 19.213 3.079 3.410 187 HD1 TYR 25 HD1 TYR 25 19.095 -0.004 1.374 188 HD2 TYR 25 HD2 TYR 25 18.168 4.144 1.558 189 HE1 TYR 25 HE1 TYR 25 17.739 -0.223 -0.665 190 HE2 TYR 25 HE2 TYR 25 16.809 3.937 -0.479 191 HH TYR 25 HH TYR 25 16.985 1.871 -2.608 192 H TRP 26 HN TRP 26 21.098 4.884 3.017 193 HA TRP 26 HA TRP 26 20.771 5.866 0.395 194 1HB TRP 26 HB2 TRP 26 21.558 7.056 3.019 195 2HB TRP 26 HB1 TRP 26 21.823 8.002 1.558 196 HD1 TRP 26 HD1 TRP 26 19.016 6.559 3.722 197 HE1 TRP 26 HE1 TRP 26 16.809 7.720 3.087 198 HE3 TRP 26 HE3 TRP 26 20.629 9.197 -0.349 199 HZ2 TRP 26 HZ2 TRP 26 15.875 9.517 1.121 200 HZ3 TRP 26 HZ3 TRP 26 19.016 10.614 -1.551 201 HH2 TRP 26 HH2 TRP 26 16.689 10.769 -0.831 202 H GLU 27 HN GLU 27 23.626 5.173 2.319 203 HA GLU 27 HA GLU 27 25.680 6.398 1.061 204 1HB GLU 27 HB2 GLU 27 25.365 3.885 2.523 205 2HB GLU 27 HB1 GLU 27 26.696 3.844 1.376 206 1HG GLU 27 HG2 GLU 27 27.663 4.572 3.362 207 2HG GLU 27 HG1 GLU 27 27.445 6.044 2.417 208 H SER 28 HN SER 28 24.493 3.179 0.090 209 HA SER 28 HA SER 28 25.677 3.586 -2.562 210 1HB SER 28 HB2 SER 28 24.711 1.093 -1.149 211 2HB SER 28 HB1 SER 28 25.244 1.115 -2.829 212 HG SER 28 HG SER 28 27.263 1.344 -2.202 213 H ALA 29 HN ALA 29 22.864 4.411 -1.265 214 HA ALA 29 HA ALA 29 20.867 3.152 -2.788 215 1HB ALA 29 HB2 ALA 29 20.156 4.416 -0.935 216 2HB ALA 29 HB3 ALA 29 19.556 5.280 -2.349 217 3HB ALA 29 HB1 ALA 29 20.988 5.865 -1.500 218 H LYS 30 HN LYS 30 23.036 5.810 -3.584 219 HA LYS 30 HA LYS 30 21.744 6.910 -5.768 220 1HB LYS 30 HB2 LYS 30 24.698 6.516 -5.287 221 2HB LYS 30 HB1 LYS 30 24.053 7.481 -6.607 222 1HG LYS 30 HG2 LYS 30 23.784 9.236 -5.281 223 2HG LYS 30 HG1 LYS 30 22.871 8.282 -4.111 224 1HD LYS 30 HD2 LYS 30 24.683 8.966 -2.853 225 2HD LYS 30 HD1 LYS 30 25.217 7.382 -3.421 226 1HE LYS 30 HE2 LYS 30 26.402 8.516 -5.288 227 2HE LYS 30 HE1 LYS 30 25.957 10.068 -4.578 228 1HZ LYS 30 HZ1 LYS 30 27.188 9.462 -2.584 229 2HZ LYS 30 HZ3 LYS 30 27.623 7.980 -3.276 230 3HZ LYS 30 HZ2 LYS 30 28.192 9.425 -3.945 231 H THR 31 HN THR 31 24.074 4.218 -5.821 232 HA THR 31 HA THR 31 24.095 3.643 -8.512 233 HB THR 31 HB THR 31 24.023 1.533 -6.346 234 HG1 THR 31 HG1 THR 31 26.189 3.153 -7.200 235 1HG2 THR 31 1HG2 THR 31 25.363 1.613 -9.037 236 2HG2 THR 31 3HG2 THR 31 25.665 0.390 -7.803 237 3HG2 THR 31 2HG2 THR 31 24.061 0.542 -8.518 238 H ALA 32 HN ALA 32 21.714 2.796 -6.067 239 HA ALA 32 HA ALA 32 20.115 1.094 -7.650 240 1HB ALA 32 HB2 ALA 32 18.874 2.819 -5.557 241 2HB ALA 32 HB1 ALA 32 18.604 1.114 -5.919 242 3HB ALA 32 HB3 ALA 32 20.070 1.615 -5.075 243 H ALA 33 HN ALA 33 19.994 4.604 -7.050 244 HA ALA 33 HA ALA 33 17.692 5.268 -8.408 245 1HB ALA 33 HB1 ALA 33 19.219 6.806 -7.098 246 2HB ALA 33 HB3 ALA 33 20.184 6.939 -8.568 247 3HB ALA 33 HB2 ALA 33 18.506 7.479 -8.563 248 H GLN 34 HN GLN 34 20.956 5.068 -9.811 249 HA GLN 34 HA GLN 34 20.115 5.556 -12.465 250 1HB GLN 34 HB2 GLN 34 22.572 4.187 -11.357 251 2HB GLN 34 HB1 GLN 34 22.332 4.486 -13.072 252 1HG GLN 34 HG2 GLN 34 23.594 6.297 -12.505 253 2HG GLN 34 HG1 GLN 34 21.975 6.955 -12.282 254 1HE2 GLN 34 1HE2 GLN 34 24.565 5.302 -10.504 255 2HE2 GLN 34 2HE2 GLN 34 24.308 6.137 -9.015 256 H ASN 35 HN ASN 35 20.524 2.637 -10.540 257 HA ASN 35 HA ASN 35 20.117 0.756 -12.600 258 1HB ASN 35 HB2 ASN 35 20.154 0.719 -9.659 259 2HB ASN 35 HB1 ASN 35 19.130 -0.515 -10.385 260 1HD2 ASN 35 1HD2 ASN 35 22.393 0.806 -10.338 261 2HD2 ASN 35 2HD2 ASN 35 23.183 -0.647 -10.835 262 H LEU 36 HN LEU 36 17.911 2.740 -10.827 263 HA LEU 36 HA LEU 36 15.512 1.355 -11.165 264 1HB LEU 36 HB2 LEU 36 16.007 3.549 -9.864 265 2HB LEU 36 HB1 LEU 36 15.706 4.348 -11.395 266 HG LEU 36 HG LEU 36 13.631 2.454 -10.424 267 1HD1 LEU 36 3HD1 LEU 36 14.259 3.710 -8.403 268 2HD1 LEU 36 2HD1 LEU 36 13.972 5.217 -9.272 269 3HD1 LEU 36 1HD1 LEU 36 12.636 4.107 -8.966 270 1HD2 LEU 36 1HD2 LEU 36 13.612 5.122 -11.825 271 2HD2 LEU 36 3HD2 LEU 36 13.304 3.540 -12.541 272 3HD2 LEU 36 2HD2 LEU 36 12.164 4.218 -11.378 273 H TYR 37 HN TYR 37 17.212 3.682 -13.173 274 HA TYR 37 HA TYR 37 15.384 3.703 -15.338 275 1HB TYR 37 HB2 TYR 37 18.358 4.288 -15.287 276 2HB TYR 37 HB1 TYR 37 17.291 4.633 -16.643 277 HD1 TYR 37 HD1 TYR 37 15.556 6.389 -16.439 278 HD2 TYR 37 HD2 TYR 37 18.416 5.711 -13.365 279 HE1 TYR 37 HE1 TYR 37 15.024 8.584 -15.467 280 HE2 TYR 37 HE2 TYR 37 17.894 7.902 -12.384 281 HH TYR 37 HH TYR 37 16.705 10.273 -13.703 282 H GLU 38 HN GLU 38 18.112 1.658 -14.442 283 HA GLU 38 HA GLU 38 18.394 0.197 -16.847 284 1HB GLU 38 HB2 GLU 38 19.137 -0.256 -14.007 285 2HB GLU 38 HB1 GLU 38 19.057 -1.679 -15.034 286 1HG GLU 38 HG2 GLU 38 21.275 -1.014 -15.161 287 2HG GLU 38 HG1 GLU 38 20.558 -0.379 -16.641 288 H LYS 39 HN LYS 39 16.308 -0.348 -14.043 289 HA LYS 39 HA LYS 39 15.163 -2.766 -14.890 290 1HB LYS 39 HB2 LYS 39 14.988 -1.530 -12.610 291 2HB LYS 39 HB1 LYS 39 13.620 -0.702 -13.340 292 1HG LYS 39 HG2 LYS 39 12.382 -2.390 -12.595 293 2HG LYS 39 HG1 LYS 39 13.108 -3.353 -13.884 294 1HD LYS 39 HD2 LYS 39 14.847 -3.201 -11.577 295 2HD LYS 39 HD1 LYS 39 13.257 -3.828 -11.140 296 1HE LYS 39 HE2 LYS 39 13.465 -5.679 -12.494 297 2HE LYS 39 HE1 LYS 39 14.623 -4.895 -13.567 298 1HZ LYS 39 HZ1 LYS 39 15.258 -5.649 -10.769 299 2HZ LYS 39 HZ3 LYS 39 15.559 -6.660 -12.092 300 3HZ LYS 39 HZ2 LYS 39 16.337 -5.163 -11.978 301 H THR 40 HN THR 40 14.747 0.456 -16.028 302 HA THR 40 HA THR 40 12.178 -0.079 -17.286 303 HB THR 40 HB THR 40 13.900 2.357 -17.727 304 HG1 THR 40 HG1 THR 40 13.721 2.528 -15.613 305 1HG2 THR 40 2HG2 THR 40 10.958 1.816 -17.913 306 2HG2 THR 40 1HG2 THR 40 11.615 3.448 -17.781 307 3HG2 THR 40 3HG2 THR 40 12.048 2.431 -19.156 308 H TYR 41 HN TYR 41 15.421 -0.659 -17.992 309 HA TYR 41 HA TYR 41 15.501 -0.133 -20.761 310 1HB TYR 41 HB2 TYR 41 17.509 -0.509 -19.328 311 2HB TYR 41 HB1 TYR 41 17.087 -2.214 -19.239 312 HD1 TYR 41 HD1 TYR 41 16.723 -0.162 -22.293 313 HD2 TYR 41 HD2 TYR 41 19.080 -3.057 -20.249 314 HE1 TYR 41 HE1 TYR 41 17.990 -0.579 -24.357 315 HE2 TYR 41 HE2 TYR 41 20.353 -3.480 -22.308 316 HH TYR 41 HH TYR 41 20.666 -1.645 -24.689 317 H LEU 42 HN LEU 42 15.677 -3.480 -19.461 318 HA LEU 42 HA LEU 42 13.301 -4.447 -20.527 319 1HB LEU 42 HB2 LEU 42 15.136 -3.778 -22.586 320 2HB LEU 42 HB1 LEU 42 14.990 -5.523 -22.552 321 HG LEU 42 HG LEU 42 12.532 -3.804 -22.577 322 1HD1 LEU 42 2HD1 LEU 42 13.927 -3.032 -24.431 323 2HD1 LEU 42 1HD1 LEU 42 14.085 -4.693 -25.003 324 3HD1 LEU 42 3HD1 LEU 42 12.507 -3.906 -25.006 325 1HD2 LEU 42 3HD2 LEU 42 13.156 -6.594 -23.542 326 2HD2 LEU 42 2HD2 LEU 42 12.236 -6.159 -22.101 327 3HD2 LEU 42 1HD2 LEU 42 11.596 -5.786 -23.702 328 HA PRO 43 HA PRO 43 16.596 -8.234 -20.466 329 1HB PRO 43 HB2 PRO 43 18.392 -6.722 -18.604 330 2HB PRO 43 HB1 PRO 43 18.785 -8.025 -19.732 331 1HG PRO 43 HG2 PRO 43 19.289 -5.497 -20.375 332 2HG PRO 43 HG1 PRO 43 18.671 -6.634 -21.586 333 1HD PRO 43 HD2 PRO 43 17.288 -4.396 -20.214 334 2HD PRO 43 HD1 PRO 43 16.997 -5.090 -21.821 335 H ALA 44 HN ALA 44 16.856 -6.353 -17.434 336 HA ALA 44 HA ALA 44 16.248 -8.547 -15.777 337 1HB ALA 44 HB2 ALA 44 15.977 -5.657 -15.009 338 2HB ALA 44 HB1 ALA 44 16.324 -7.033 -13.961 339 3HB ALA 44 HB3 ALA 44 17.525 -6.493 -15.135 340 H VAL 45 HN VAL 45 14.108 -6.525 -17.538 341 HA VAL 45 HA VAL 45 11.910 -6.158 -16.022 342 HB VAL 45 HB VAL 45 12.005 -7.032 -18.903 343 1HG1 VAL 45 1HG1 VAL 45 9.656 -6.318 -17.188 344 2HG1 VAL 45 3HG1 VAL 45 9.652 -5.957 -18.914 345 3HG1 VAL 45 2HG1 VAL 45 9.826 -7.623 -18.363 346 1HG2 VAL 45 1HG2 VAL 45 13.033 -4.858 -18.292 347 2HG2 VAL 45 3HG2 VAL 45 11.653 -4.697 -19.379 348 3HG2 VAL 45 2HG2 VAL 45 11.470 -4.335 -17.663 349 H ASP 46 HN ASP 46 11.821 -8.999 -18.177 350 HA ASP 46 HA ASP 46 9.933 -10.279 -16.433 351 1HB ASP 46 HB2 ASP 46 10.000 -10.406 -18.991 352 2HB ASP 46 HB1 ASP 46 11.297 -11.579 -18.783 353 H GLU 47 HN GLU 47 13.385 -10.374 -16.757 354 HA GLU 47 HA GLU 47 13.834 -12.999 -15.775 355 1HB GLU 47 HB2 GLU 47 15.552 -10.524 -15.870 356 2HB GLU 47 HB1 GLU 47 16.132 -12.035 -15.184 357 1HG GLU 47 HG2 GLU 47 15.578 -13.120 -17.385 358 2HG GLU 47 HG1 GLU 47 15.305 -11.498 -18.022 359 H LYS 48 HN LYS 48 13.771 -9.824 -14.159 360 HA LYS 48 HA LYS 48 14.415 -10.691 -11.579 361 1HB LYS 48 HB2 LYS 48 14.242 -8.300 -12.472 362 2HB LYS 48 HB1 LYS 48 12.516 -8.424 -12.155 363 1HG LYS 48 HG2 LYS 48 13.647 -9.257 -9.788 364 2HG LYS 48 HG1 LYS 48 14.726 -7.968 -10.324 365 1HD LYS 48 HD2 LYS 48 12.825 -6.456 -10.554 366 2HD LYS 48 HD1 LYS 48 11.727 -7.747 -10.063 367 1HE LYS 48 HE2 LYS 48 12.012 -6.577 -8.091 368 2HE LYS 48 HE1 LYS 48 13.214 -7.858 -7.939 369 1HZ LYS 48 HZ1 LYS 48 13.813 -5.126 -8.937 370 2HZ LYS 48 HZ3 LYS 48 14.047 -5.624 -7.338 371 3HZ LYS 48 HZ2 LYS 48 14.929 -6.347 -8.585 372 H LEU 49 HN LEU 49 11.384 -10.811 -13.331 373 HA LEU 49 HA LEU 49 9.639 -11.223 -11.155 374 1HB LEU 49 HB2 LEU 49 8.870 -10.631 -13.417 375 2HB LEU 49 HB1 LEU 49 9.399 -12.193 -14.007 376 HG LEU 49 HG LEU 49 7.535 -12.401 -11.766 377 1HD1 LEU 49 3HD1 LEU 49 6.638 -10.360 -12.762 378 2HD1 LEU 49 2HD1 LEU 49 6.573 -11.153 -14.337 379 3HD1 LEU 49 1HD1 LEU 49 5.556 -11.729 -13.016 380 1HD2 LEU 49 1HD2 LEU 49 7.682 -13.530 -14.556 381 2HD2 LEU 49 3HD2 LEU 49 8.119 -14.330 -13.047 382 3HD2 LEU 49 2HD2 LEU 49 6.430 -13.952 -13.387 383 H ARG 50 HN ARG 50 10.811 -13.641 -13.504 384 HA ARG 50 HA ARG 50 10.097 -15.877 -11.943 385 1HB ARG 50 HB2 ARG 50 12.150 -15.615 -14.150 386 2HB ARG 50 HB1 ARG 50 11.600 -17.144 -13.478 387 1HG ARG 50 HG2 ARG 50 9.432 -15.406 -14.389 388 2HG ARG 50 HG1 ARG 50 10.544 -15.905 -15.665 389 1HD ARG 50 HD2 ARG 50 10.024 -18.130 -15.439 390 2HD ARG 50 HD1 ARG 50 9.542 -17.958 -13.752 391 HE ARG 50 HE ARG 50 7.893 -17.555 -16.095 392 1HH1 ARG 50 1HH1 ARG 50 8.231 -17.003 -12.652 393 2HH1 ARG 50 2HH1 ARG 50 6.536 -16.766 -12.401 394 1HH2 ARG 50 1HH2 ARG 50 5.661 -17.237 -15.755 395 2HH2 ARG 50 2HH2 ARG 50 5.076 -16.898 -14.160 396 H ASP 51 HN ASP 51 12.891 -13.789 -11.931 397 HA ASP 51 HA ASP 51 14.794 -15.424 -10.724 398 1HB ASP 51 HB2 ASP 51 15.548 -13.332 -11.514 399 2HB ASP 51 HB1 ASP 51 14.315 -12.453 -10.616 400 H LEU 52 HN LEU 52 12.493 -13.211 -9.141 401 HA LEU 52 HA LEU 52 13.158 -13.979 -6.502 402 1HB LEU 52 HB2 LEU 52 10.594 -12.772 -7.547 403 2HB LEU 52 HB1 LEU 52 11.070 -12.846 -5.861 404 HG LEU 52 HG LEU 52 12.870 -11.465 -7.807 405 1HD1 LEU 52 2HD1 LEU 52 10.625 -10.587 -8.277 406 2HD1 LEU 52 1HD1 LEU 52 10.429 -10.203 -6.567 407 3HD1 LEU 52 3HD1 LEU 52 11.666 -9.382 -7.519 408 1HD2 LEU 52 1HD2 LEU 52 13.611 -11.818 -5.509 409 2HD2 LEU 52 3HD2 LEU 52 13.377 -10.102 -5.844 410 3HD2 LEU 52 2HD2 LEU 52 12.173 -10.990 -4.910 411 H TYR 53 HN TYR 53 10.994 -15.334 -8.891 412 HA TYR 53 HA TYR 53 9.406 -16.893 -7.129 413 1HB TYR 53 HB2 TYR 53 9.930 -16.890 -10.071 414 2HB TYR 53 HB1 TYR 53 9.160 -18.304 -9.360 415 HD1 TYR 53 HD1 TYR 53 8.555 -15.223 -10.874 416 HD2 TYR 53 HD2 TYR 53 7.136 -17.693 -7.715 417 HE1 TYR 53 HE1 TYR 53 6.385 -14.072 -10.958 418 HE2 TYR 53 HE2 TYR 53 4.961 -16.550 -7.791 419 HH TYR 53 HH TYR 53 3.752 -15.040 -10.056 420 H SER 54 HN SER 54 12.259 -17.693 -9.110 421 HA SER 54 HA SER 54 12.483 -20.379 -8.325 422 1HB SER 54 HB2 SER 54 13.681 -19.206 -10.251 423 2HB SER 54 HB1 SER 54 14.824 -18.612 -9.048 424 HG SER 54 HG SER 54 15.720 -20.471 -9.693 425 H LYS 55 HN LYS 55 14.036 -17.450 -7.024 426 HA LYS 55 HA LYS 55 15.563 -18.719 -5.034 427 1HB LYS 55 HB2 LYS 55 15.744 -16.315 -5.879 428 2HB LYS 55 HB1 LYS 55 14.411 -15.942 -4.797 429 1HG LYS 55 HG2 LYS 55 16.347 -17.363 -3.300 430 2HG LYS 55 HG1 LYS 55 17.187 -16.112 -4.219 431 1HD LYS 55 HD2 LYS 55 15.403 -14.508 -3.372 432 2HD LYS 55 HD1 LYS 55 14.938 -15.786 -2.247 433 1HE LYS 55 HE2 LYS 55 16.417 -14.530 -0.987 434 2HE LYS 55 HE1 LYS 55 17.451 -15.811 -1.619 435 1HZ LYS 55 HZ3 LYS 55 17.200 -13.088 -2.782 436 2HZ LYS 55 HZ2 LYS 55 18.476 -13.618 -1.808 437 3HZ LYS 55 HZ1 LYS 55 18.230 -14.314 -3.329 438 H SER 56 HN SER 56 12.304 -17.303 -4.934 439 HA SER 56 HA SER 56 11.825 -17.692 -2.194 440 1HB SER 56 HB2 SER 56 10.054 -17.294 -4.579 441 2HB SER 56 HB1 SER 56 9.345 -17.671 -3.009 442 HG SER 56 HG SER 56 9.954 -15.769 -2.254 443 H THR 57 HN THR 57 11.943 -20.057 -4.714 444 HA THR 57 HA THR 57 10.053 -21.901 -3.828 445 HB THR 57 HB THR 57 12.730 -22.517 -5.095 446 HG1 THR 57 HG1 THR 57 11.918 -21.830 -6.898 447 1HG2 THR 57 2HG2 THR 57 10.162 -24.080 -5.036 448 2HG2 THR 57 1HG2 THR 57 11.527 -24.435 -6.094 449 3HG2 THR 57 3HG2 THR 57 11.715 -24.549 -4.345 450 H ALA 58 HN ALA 58 13.564 -21.930 -3.136 451 HA ALA 58 HA ALA 58 13.129 -23.773 -0.930 452 1HB ALA 58 HB3 ALA 58 15.018 -24.147 -2.426 453 2HB ALA 58 HB2 ALA 58 15.686 -22.573 -1.989 454 3HB ALA 58 HB1 ALA 58 15.565 -23.848 -0.776 455 H ALA 59 HN ALA 59 14.272 -20.449 -1.420 456 HA ALA 59 HA ALA 59 14.966 -19.894 1.244 457 1HB ALA 59 HB1 ALA 59 15.010 -17.586 0.615 458 2HB ALA 59 HB2 ALA 59 13.992 -17.899 -0.790 459 3HB ALA 59 HB3 ALA 59 15.634 -18.541 -0.731 460 H MET 60 HN MET 60 12.039 -18.778 -0.487 461 HA MET 60 HA MET 60 10.736 -17.813 1.801 462 1HB MET 60 HB2 MET 60 10.255 -17.595 -0.830 463 2HB MET 60 HB1 MET 60 9.048 -18.808 -0.424 464 1HG MET 60 HG2 MET 60 8.756 -16.908 1.556 465 2HG MET 60 HG1 MET 60 9.079 -15.961 0.106 466 1HE MET 60 HE3 MET 60 6.528 -16.551 2.197 467 2HE MET 60 HE2 MET 60 6.276 -15.200 1.092 468 3HE MET 60 HE1 MET 60 5.089 -16.502 1.176 469 H SER 61 HN SER 61 11.067 -21.066 0.649 470 HA SER 61 HA SER 61 8.734 -22.173 1.816 471 1HB SER 61 HB2 SER 61 11.167 -23.178 0.540 472 2HB SER 61 HB1 SER 61 10.579 -24.229 1.827 473 HG SER 61 HG SER 61 9.419 -23.578 -0.613 474 H THR 62 HN THR 62 11.566 -20.946 3.249 475 HA THR 62 HA THR 62 11.264 -22.567 5.666 476 HB THR 62 HB THR 62 13.354 -20.449 5.135 477 HG1 THR 62 HG1 THR 62 13.922 -21.817 3.616 478 1HG2 THR 62 1HG2 THR 62 13.289 -22.797 7.013 479 2HG2 THR 62 3HG2 THR 62 14.706 -21.795 6.698 480 3HG2 THR 62 2HG2 THR 62 13.274 -21.086 7.443 481 H TYR 63 HN TYR 63 11.479 -19.144 4.697 482 HA TYR 63 HA TYR 63 10.692 -18.080 7.174 483 1HB TYR 63 HB2 TYR 63 11.876 -16.893 5.232 484 2HB TYR 63 HB1 TYR 63 10.275 -16.715 4.520 485 HD1 TYR 63 HD1 TYR 63 11.965 -16.133 7.811 486 HD2 TYR 63 HD2 TYR 63 9.173 -14.730 4.923 487 HE1 TYR 63 HE1 TYR 63 11.601 -14.108 9.156 488 HE2 TYR 63 HE2 TYR 63 8.803 -12.700 6.259 489 HH TYR 63 HH TYR 63 9.462 -12.364 9.320 490 H THR 64 HN THR 64 8.860 -19.748 4.819 491 HA THR 64 HA THR 64 6.417 -18.325 5.141 492 HB THR 64 HB THR 64 5.461 -20.678 4.391 493 HG1 THR 64 HG1 THR 64 6.979 -22.092 4.200 494 1HG2 THR 64 2HG2 THR 64 6.862 -18.620 2.800 495 2HG2 THR 64 1HG2 THR 64 6.473 -20.146 2.005 496 3HG2 THR 64 3HG2 THR 64 5.191 -19.176 2.728 497 H GLY 65 HN GLY 65 7.432 -21.492 6.410 498 1HA GLY 65 HA1 GLY 65 6.800 -22.602 8.326 499 2HA GLY 65 HA2 GLY 65 5.313 -21.657 8.293 500 H ILE 66 HN ILE 66 8.595 -20.385 8.405 501 HA ILE 66 HA ILE 66 8.739 -19.937 11.192 502 HB ILE 66 HB ILE 66 10.291 -19.043 8.825 503 1HG1 ILE 66 2HG1 ILE 66 12.166 -19.693 10.438 504 2HG1 ILE 66 1HG1 ILE 66 10.896 -20.236 11.529 505 1HG2 ILE 66 2HG2 ILE 66 10.223 -17.492 11.395 506 2HG2 ILE 66 1HG2 ILE 66 11.655 -17.526 10.366 507 3HG2 ILE 66 3HG2 ILE 66 10.133 -16.892 9.739 508 1HD1 ILE 66 3HD1 ILE 66 10.101 -21.669 9.555 509 2HD1 ILE 66 2HD1 ILE 66 11.694 -21.344 8.871 510 3HD1 ILE 66 1HD1 ILE 66 11.552 -22.164 10.426 511 H PHE 67 HN PHE 67 8.127 -17.614 8.541 512 HA PHE 67 HA PHE 67 7.526 -15.382 10.059 513 1HB PHE 67 HB2 PHE 67 7.745 -15.278 7.628 514 2HB PHE 67 HB1 PHE 67 6.265 -16.212 7.434 515 HD1 PHE 67 HD1 PHE 67 4.201 -15.145 7.304 516 HD2 PHE 67 HD2 PHE 67 7.575 -13.008 8.775 517 HE1 PHE 67 HE1 PHE 67 2.890 -13.064 7.279 518 HE2 PHE 67 HE2 PHE 67 6.270 -10.923 8.753 519 HZ PHE 67 HZ PHE 67 3.923 -10.949 8.005 520 H THR 68 HN THR 68 5.206 -17.777 8.806 521 HA THR 68 HA THR 68 2.961 -16.701 10.114 522 HB THR 68 HB THR 68 3.351 -19.564 9.239 523 HG1 THR 68 HG1 THR 68 2.533 -17.285 7.761 524 1HG2 THR 68 2HG2 THR 68 0.892 -17.906 9.695 525 2HG2 THR 68 1HG2 THR 68 0.893 -19.378 8.725 526 3HG2 THR 68 3HG2 THR 68 1.328 -19.447 10.433 527 H ASP 69 HN ASP 69 5.516 -18.721 11.244 528 HA ASP 69 HA ASP 69 4.255 -20.056 13.357 529 1HB ASP 69 HB2 ASP 69 6.601 -20.476 12.587 530 2HB ASP 69 HB1 ASP 69 7.084 -18.985 13.384 531 H GLN 70 HN GLN 70 6.037 -16.969 13.460 532 HA GLN 70 HA GLN 70 5.260 -16.360 16.128 533 1HB GLN 70 HB2 GLN 70 6.401 -14.629 13.931 534 2HB GLN 70 HB1 GLN 70 6.133 -14.067 15.574 535 1HG GLN 70 HG2 GLN 70 8.330 -14.636 15.704 536 2HG GLN 70 HG1 GLN 70 7.593 -16.164 16.185 537 1HE2 GLN 70 1HE2 GLN 70 8.378 -17.896 15.219 538 2HE2 GLN 70 2HE2 GLN 70 9.137 -17.941 13.668 539 H VAL 71 HN VAL 71 3.791 -15.832 13.030 540 HA VAL 71 HA VAL 71 2.040 -13.714 13.762 541 HB VAL 71 HB VAL 71 1.783 -15.784 11.564 542 1HG1 VAL 71 1HG1 VAL 71 0.141 -13.341 12.182 543 2HG1 VAL 71 3HG1 VAL 71 0.196 -14.067 10.575 544 3HG1 VAL 71 2HG1 VAL 71 -0.408 -15.001 11.945 545 1HG2 VAL 71 3HG2 VAL 71 3.659 -13.877 11.716 546 2HG2 VAL 71 2HG2 VAL 71 2.946 -14.406 10.192 547 3HG2 VAL 71 1HG2 VAL 71 2.358 -12.942 10.979 548 H LEU 72 HN LEU 72 1.583 -17.205 13.370 549 HA LEU 72 HA LEU 72 -1.022 -17.388 14.366 550 1HB LEU 72 HB2 LEU 72 0.460 -19.166 13.187 551 2HB LEU 72 HB1 LEU 72 1.039 -19.531 14.801 552 HG LEU 72 HG LEU 72 -1.468 -19.823 15.394 553 1HD1 LEU 72 2HD1 LEU 72 -2.322 -18.866 13.298 554 2HD1 LEU 72 1HD1 LEU 72 -1.582 -20.194 12.404 555 3HD1 LEU 72 3HD1 LEU 72 -2.880 -20.519 13.554 556 1HD2 LEU 72 3HD2 LEU 72 0.166 -21.636 15.355 557 2HD2 LEU 72 2HD2 LEU 72 -1.386 -22.165 14.704 558 3HD2 LEU 72 1HD2 LEU 72 -0.050 -21.801 13.612 559 H SER 73 HN SER 73 2.125 -17.300 15.940 560 HA SER 73 HA SER 73 1.326 -18.037 18.521 561 1HB SER 73 HB2 SER 73 3.471 -17.588 19.105 562 2HB SER 73 HB1 SER 73 3.718 -17.342 17.379 563 HG SER 73 HG SER 73 3.670 -15.189 17.662 564 H VAL 74 HN VAL 74 1.198 -14.939 16.874 565 HA VAL 74 HA VAL 74 0.389 -13.440 19.168 566 HB VAL 74 HB VAL 74 -0.046 -12.754 16.252 567 1HG1 VAL 74 1HG1 VAL 74 -0.227 -11.177 18.796 568 2HG1 VAL 74 3HG1 VAL 74 0.107 -10.390 17.254 569 3HG1 VAL 74 2HG1 VAL 74 -1.390 -11.295 17.476 570 1HG2 VAL 74 3HG2 VAL 74 2.376 -12.889 17.819 571 2HG2 VAL 74 2HG2 VAL 74 2.167 -12.569 16.098 572 3HG2 VAL 74 1HG2 VAL 74 2.074 -11.244 17.257 573 H LEU 75 HN LEU 75 -1.240 -15.608 17.056 574 HA LEU 75 HA LEU 75 -3.853 -14.536 17.167 575 1HB LEU 75 HB2 LEU 75 -2.636 -16.740 15.971 576 2HB LEU 75 HB1 LEU 75 -3.811 -17.432 17.071 577 HG LEU 75 HG LEU 75 -4.506 -15.326 15.029 578 1HD1 LEU 75 2HD1 LEU 75 -4.726 -18.323 14.809 579 2HD1 LEU 75 1HD1 LEU 75 -5.418 -17.160 13.679 580 3HD1 LEU 75 3HD1 LEU 75 -3.667 -17.277 13.863 581 1HD2 LEU 75 1HD2 LEU 75 -6.156 -17.203 16.713 582 2HD2 LEU 75 3HD2 LEU 75 -6.090 -15.444 16.830 583 3HD2 LEU 75 2HD2 LEU 75 -6.798 -16.207 15.406 584 H LYS 76 HN LYS 76 -2.050 -16.694 19.227 585 HA LYS 76 HA LYS 76 -4.214 -17.368 20.960 586 1HB LYS 76 HB2 LYS 76 -1.965 -18.599 20.610 587 2HB LYS 76 HB1 LYS 76 -1.318 -17.443 21.766 588 1HG LYS 76 HG2 LYS 76 -3.333 -18.230 23.233 589 2HG LYS 76 HG1 LYS 76 -3.280 -19.645 22.180 590 1HD LYS 76 HD2 LYS 76 -1.881 -20.284 23.903 591 2HD LYS 76 HD1 LYS 76 -0.735 -19.624 22.734 592 1HE LYS 76 HE2 LYS 76 -0.919 -17.432 23.966 593 2HE LYS 76 HE1 LYS 76 -1.817 -18.298 25.212 594 1HZ LYS 76 HZ3 LYS 76 0.957 -18.908 24.341 595 2HZ LYS 76 HZ2 LYS 76 0.524 -18.118 25.772 596 3HZ LYS 76 HZ1 LYS 76 0.097 -19.738 25.540 597 H GLY 77 HN GLY 77 -1.682 -14.892 21.013 598 1HA GLY 77 HA1 GLY 77 -1.335 -13.087 22.392 599 2HA GLY 77 HA2 GLY 77 -2.234 -13.943 23.635 600 H GLU 78 HN GLU 78 -2.618 -11.962 20.717 601 HA GLU 78 HA GLU 78 -5.317 -11.214 21.608 602 1HB GLU 78 HB2 GLU 78 -3.007 -9.358 21.073 603 2HB GLU 78 HB1 GLU 78 -4.673 -8.810 20.955 604 1HG GLU 78 HG2 GLU 78 -3.526 -10.093 23.419 605 2HG GLU 78 HG1 GLU 78 -3.525 -8.353 23.135 606 H GLU 79 HN GLU 79 -4.492 -12.951 19.443 607 HA GLU 79 HA GLU 79 -5.198 -13.400 17.330 608 1HB GLU 79 HB2 GLU 79 -7.067 -11.682 18.049 609 2HB GLU 79 HB1 GLU 79 -6.249 -10.636 16.897 610 1HG GLU 79 HG2 GLU 79 -7.410 -13.351 16.312 611 2HG GLU 79 HG1 GLU 79 -8.117 -11.799 15.869 No H/Q in entry = 611
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