NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10053 | 1p68 | 5687 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -2.419 -22.761 5.389 2 2H MET 1 HT2 MET 1 -1.976 -21.942 3.947 3 3H MET 1 HT3 MET 1 -2.863 -21.120 5.166 4 HA MET 1 HA MET 1 -0.951 -21.580 6.669 5 1HB MET 1 HB2 MET 1 0.296 -22.152 3.971 6 2HB MET 1 HB1 MET 1 1.197 -21.931 5.466 7 1HG MET 1 HG2 MET 1 0.132 -23.889 6.424 8 2HG MET 1 HG1 MET 1 -0.830 -24.098 4.962 9 1HE MET 1 HE1 MET 1 1.223 -25.254 2.313 10 2HE MET 1 HE2 MET 1 2.086 -23.738 2.576 11 3HE MET 1 HE3 MET 1 0.332 -23.796 2.748 12 H TYR 2 HN TYR 2 -0.901 -20.194 3.383 13 HA TYR 2 HA TYR 2 0.557 -17.887 4.016 14 1HB TYR 2 HB2 TYR 2 -1.580 -18.090 1.888 15 2HB TYR 2 HB1 TYR 2 -0.199 -16.998 1.911 16 HD1 TYR 2 HD1 TYR 2 -1.376 -20.326 1.088 17 HD2 TYR 2 HD2 TYR 2 2.087 -17.897 1.544 18 HE1 TYR 2 HE1 TYR 2 -0.061 -21.972 -0.180 19 HE2 TYR 2 HE2 TYR 2 3.411 -19.537 0.277 20 HH TYR 2 HH TYR 2 3.058 -21.315 -1.364 21 H GLY 3 HN GLY 3 0.053 -16.200 5.249 22 1HA GLY 3 HA2 GLY 3 -2.394 -14.824 5.145 23 2HA GLY 3 HA1 GLY 3 -2.427 -15.902 6.530 24 H LYS 4 HN LYS 4 0.342 -15.701 7.202 25 HA LYS 4 HA LYS 4 0.258 -13.406 8.833 26 1HB LYS 4 HB2 LYS 4 1.591 -15.527 9.255 27 2HB LYS 4 HB1 LYS 4 2.755 -14.926 8.082 28 1HG LYS 4 HG2 LYS 4 3.602 -14.362 10.204 29 2HG LYS 4 HG1 LYS 4 2.965 -12.867 9.517 30 1HD LYS 4 HD2 LYS 4 0.868 -13.245 10.804 31 2HD LYS 4 HD1 LYS 4 1.641 -14.632 11.574 32 1HE LYS 4 HE2 LYS 4 3.471 -13.034 12.292 33 2HE LYS 4 HE1 LYS 4 2.407 -11.729 11.773 34 1HZ LYS 4 HZ1 LYS 4 2.108 -12.067 14.097 35 2HZ LYS 4 HZ2 LYS 4 1.872 -13.730 13.898 36 3HZ LYS 4 HZ3 LYS 4 0.717 -12.638 13.321 37 H LEU 5 HN LEU 5 1.149 -13.763 5.557 38 HA LEU 5 HA LEU 5 3.086 -11.792 5.265 39 1HB LEU 5 HB2 LEU 5 1.765 -13.346 3.520 40 2HB LEU 5 HB1 LEU 5 0.889 -11.848 3.265 41 HG LEU 5 HG LEU 5 2.578 -11.843 1.632 42 1HD1 LEU 5 HD11 LEU 5 2.370 -9.740 2.954 43 2HD1 LEU 5 HD12 LEU 5 3.938 -9.958 2.177 44 3HD1 LEU 5 HD13 LEU 5 3.760 -10.263 3.905 45 1HD2 LEU 5 HD21 LEU 5 3.886 -13.615 3.201 46 2HD2 LEU 5 HD22 LEU 5 4.882 -12.178 3.433 47 3HD2 LEU 5 HD23 LEU 5 4.608 -12.808 1.809 48 H ASN 6 HN ASN 6 -0.236 -11.593 6.152 49 HA ASN 6 HA ASN 6 -0.793 -8.957 5.459 50 1HB ASN 6 HB2 ASN 6 -2.554 -9.056 7.176 51 2HB ASN 6 HB1 ASN 6 -2.558 -10.473 6.130 52 1HD2 ASN 6 HD21 ASN 6 -3.810 -10.526 8.553 53 2HD2 ASN 6 HD22 ASN 6 -2.955 -11.569 9.634 54 H ASP 7 HN ASP 7 0.751 -10.340 8.304 55 HA ASP 7 HA ASP 7 0.841 -8.154 9.983 56 1HB ASP 7 HB2 ASP 7 1.802 -10.581 10.251 57 2HB ASP 7 HB1 ASP 7 3.289 -9.854 9.650 58 H LEU 8 HN LEU 8 2.591 -8.755 7.046 59 HA LEU 8 HA LEU 8 4.380 -6.503 7.434 60 1HB LEU 8 HB2 LEU 8 5.311 -8.433 6.354 61 2HB LEU 8 HB1 LEU 8 4.009 -8.477 5.185 62 HG LEU 8 HG LEU 8 6.284 -7.610 4.404 63 1HD1 LEU 8 HD11 LEU 8 4.315 -5.516 3.780 64 2HD1 LEU 8 HD12 LEU 8 3.788 -7.176 3.504 65 3HD1 LEU 8 HD13 LEU 8 5.239 -6.568 2.708 66 1HD2 LEU 8 HD21 LEU 8 6.092 -5.964 6.569 67 2HD2 LEU 8 HD22 LEU 8 5.570 -4.905 5.258 68 3HD2 LEU 8 HD23 LEU 8 7.144 -5.695 5.180 69 H LEU 9 HN LEU 9 1.413 -7.303 5.787 70 HA LEU 9 HA LEU 9 1.378 -5.127 3.972 71 1HB LEU 9 HB2 LEU 9 -0.595 -7.086 5.011 72 2HB LEU 9 HB1 LEU 9 -1.233 -5.621 4.292 73 HG LEU 9 HG LEU 9 0.693 -7.463 2.882 74 1HD1 LEU 9 HD11 LEU 9 -1.660 -8.367 3.537 75 2HD1 LEU 9 HD12 LEU 9 -1.056 -8.588 1.895 76 3HD1 LEU 9 HD13 LEU 9 -2.217 -7.307 2.243 77 1HD2 LEU 9 HD21 LEU 9 -0.627 -6.159 0.954 78 2HD2 LEU 9 HD22 LEU 9 0.871 -5.560 1.667 79 3HD2 LEU 9 HD23 LEU 9 -0.682 -4.932 2.219 80 H GLU 10 HN GLU 10 0.327 -5.551 7.296 81 HA GLU 10 HA GLU 10 -1.289 -3.354 7.676 82 1HB GLU 10 HB2 GLU 10 -0.058 -5.264 9.296 83 2HB GLU 10 HB1 GLU 10 0.494 -3.722 9.932 84 1HG GLU 10 HG2 GLU 10 -1.499 -3.235 10.801 85 2HG GLU 10 HG1 GLU 10 -2.363 -3.780 9.364 86 H ASP 11 HN ASP 11 2.256 -3.486 7.954 87 HA ASP 11 HA ASP 11 2.786 -0.933 8.814 88 1HB ASP 11 HB2 ASP 11 4.308 -3.024 7.940 89 2HB ASP 11 HB1 ASP 11 4.576 -1.846 6.659 90 H LEU 12 HN LEU 12 2.270 -1.988 5.471 91 HA LEU 12 HA LEU 12 2.749 0.409 4.179 92 1HB LEU 12 HB2 LEU 12 2.365 -0.926 2.444 93 2HB LEU 12 HB1 LEU 12 1.719 -2.148 3.513 94 HG LEU 12 HG LEU 12 -0.243 -0.071 2.839 95 1HD1 LEU 12 HD11 LEU 12 -0.414 -1.476 0.532 96 2HD1 LEU 12 HD12 LEU 12 1.333 -1.313 0.709 97 3HD1 LEU 12 HD13 LEU 12 0.310 0.124 0.685 98 1HD2 LEU 12 HD21 LEU 12 -0.076 -3.030 3.054 99 2HD2 LEU 12 HD22 LEU 12 -1.376 -2.333 2.089 100 3HD2 LEU 12 HD23 LEU 12 -1.218 -1.907 3.792 101 H GLN 13 HN GLN 13 -0.421 -0.894 5.144 102 HA GLN 13 HA GLN 13 -1.932 1.335 4.473 103 1HB GLN 13 HB2 GLN 13 -2.882 -0.865 5.078 104 2HB GLN 13 HB1 GLN 13 -2.437 -0.587 6.756 105 1HG GLN 13 HG2 GLN 13 -3.901 1.451 6.698 106 2HG GLN 13 HG1 GLN 13 -4.469 0.904 5.122 107 1HE2 GLN 13 HE21 GLN 13 -5.695 1.197 7.893 108 2HE2 GLN 13 HE22 GLN 13 -6.499 -0.311 8.148 109 H GLU 14 HN GLU 14 -0.128 0.663 7.428 110 HA GLU 14 HA GLU 14 -1.109 2.989 8.805 111 1HB GLU 14 HB2 GLU 14 1.203 1.124 9.367 112 2HB GLU 14 HB1 GLU 14 0.746 2.454 10.421 113 1HG GLU 14 HG2 GLU 14 -1.527 1.397 10.590 114 2HG GLU 14 HG1 GLU 14 -0.850 -0.003 9.759 115 H VAL 15 HN VAL 15 1.474 2.251 6.628 116 HA VAL 15 HA VAL 15 3.091 4.502 7.246 117 HB VAL 15 HB VAL 15 3.621 2.300 5.876 118 1HG1 VAL 15 HG11 VAL 15 3.934 3.479 3.415 119 2HG1 VAL 15 HG12 VAL 15 2.305 3.957 3.878 120 3HG1 VAL 15 HG13 VAL 15 2.744 2.255 3.833 121 1HG2 VAL 15 HG21 VAL 15 4.916 4.902 5.121 122 2HG2 VAL 15 HG22 VAL 15 5.647 3.294 5.190 123 3HG2 VAL 15 HG23 VAL 15 5.148 4.099 6.676 124 H LEU 16 HN LEU 16 0.269 3.984 5.305 125 HA LEU 16 HA LEU 16 0.465 6.221 3.615 126 1HB LEU 16 HB2 LEU 16 -1.792 4.523 4.595 127 2HB LEU 16 HB1 LEU 16 -2.155 6.012 3.746 128 HG LEU 16 HG LEU 16 -2.238 4.310 2.115 129 1HD1 LEU 16 HD11 LEU 16 0.540 5.420 1.831 130 2HD1 LEU 16 HD12 LEU 16 -0.919 6.360 1.525 131 3HD1 LEU 16 HD13 LEU 16 -0.570 4.932 0.551 132 1HD2 LEU 16 HD21 LEU 16 -0.996 2.656 3.552 133 2HD2 LEU 16 HD22 LEU 16 0.493 3.355 2.923 134 3HD2 LEU 16 HD23 LEU 16 -0.653 2.585 1.825 135 H LYS 17 HN LYS 17 -0.848 5.802 6.871 136 HA LYS 17 HA LYS 17 -2.192 8.105 7.352 137 1HB LYS 17 HB2 LYS 17 -1.798 6.373 9.055 138 2HB LYS 17 HB1 LYS 17 -0.122 6.887 9.192 139 1HG LYS 17 HG2 LYS 17 -2.000 9.074 9.573 140 2HG LYS 17 HG1 LYS 17 -2.226 7.763 10.732 141 1HD LYS 17 HD2 LYS 17 -0.447 8.445 11.877 142 2HD LYS 17 HD1 LYS 17 0.570 8.254 10.447 143 1HE LYS 17 HE2 LYS 17 -0.443 10.547 9.752 144 2HE LYS 17 HE1 LYS 17 -0.835 10.691 11.465 145 1HZ LYS 17 HZ1 LYS 17 1.320 10.938 12.030 146 2HZ LYS 17 HZ2 LYS 17 1.469 11.487 10.438 147 3HZ LYS 17 HZ3 LYS 17 1.889 9.895 10.826 148 H ASN 18 HN ASN 18 1.299 7.730 7.149 149 HA ASN 18 HA ASN 18 1.924 10.439 7.841 150 1HB ASN 18 HB2 ASN 18 3.370 8.043 7.143 151 2HB ASN 18 HB1 ASN 18 3.985 9.394 6.196 152 1HD2 ASN 18 HD21 ASN 18 4.979 7.772 8.566 153 2HD2 ASN 18 HD22 ASN 18 5.504 8.971 9.694 154 H LEU 19 HN LEU 19 1.657 8.637 4.834 155 HA LEU 19 HA LEU 19 2.353 10.496 2.963 156 1HB LEU 19 HB2 LEU 19 1.875 8.646 1.816 157 2HB LEU 19 HB1 LEU 19 0.834 8.051 3.085 158 HG LEU 19 HG LEU 19 -0.274 10.108 1.237 159 1HD1 LEU 19 HD11 LEU 19 0.499 8.808 -0.480 160 2HD1 LEU 19 HD12 LEU 19 -1.008 7.977 -0.121 161 3HD1 LEU 19 HD13 LEU 19 0.518 7.341 0.488 162 1HD2 LEU 19 HD21 LEU 19 -1.246 7.895 2.958 163 2HD2 LEU 19 HD22 LEU 19 -2.183 8.322 1.531 164 3HD2 LEU 19 HD23 LEU 19 -1.860 9.536 2.768 165 H HIS 20 HN HIS 20 -0.760 10.201 4.621 166 HA HIS 20 HA HIS 20 -2.293 11.987 3.176 167 1HB HIS 20 HB2 HIS 20 -2.253 11.429 6.144 168 2HB HIS 20 HB1 HIS 20 -3.471 12.437 5.379 169 HD1 HIS 20 HD1 HIS 20 -5.433 11.268 4.338 170 HD2 HIS 20 HD2 HIS 20 -2.399 8.653 5.423 171 HE1 HIS 20 HE1 HIS 20 -6.425 8.967 4.134 172 HE2 HIS 20 HE2 HIS 20 -4.595 7.406 4.881 173 H LYS 21 HN LYS 21 0.061 12.686 5.710 174 HA LYS 21 HA LYS 21 -0.554 15.509 5.662 175 1HB LYS 21 HB2 LYS 21 1.762 14.258 7.101 176 2HB LYS 21 HB1 LYS 21 0.874 15.720 7.511 177 1HG LYS 21 HG2 LYS 21 -0.259 12.935 7.619 178 2HG LYS 21 HG1 LYS 21 0.385 13.822 9.003 179 1HD LYS 21 HD2 LYS 21 -1.888 14.250 9.167 180 2HD LYS 21 HD1 LYS 21 -1.305 15.663 8.287 181 1HE LYS 21 HE2 LYS 21 -2.313 15.034 6.334 182 2HE LYS 21 HE1 LYS 21 -2.158 13.317 6.692 183 1HZ LYS 21 HZ1 LYS 21 -3.937 14.808 8.430 184 2HZ LYS 21 HZ2 LYS 21 -4.121 13.268 7.756 185 3HZ LYS 21 HZ3 LYS 21 -4.454 14.641 6.828 186 H ASN 22 HN ASN 22 1.128 13.755 3.495 187 HA ASN 22 HA ASN 22 2.685 16.085 2.765 188 1HB ASN 22 HB2 ASN 22 3.934 13.544 3.710 189 2HB ASN 22 HB1 ASN 22 4.733 14.474 2.445 190 1HD2 ASN 22 HD21 ASN 22 4.814 13.949 5.601 191 2HD2 ASN 22 HD22 ASN 22 5.325 15.494 6.180 192 H TRP 23 HN TRP 23 0.497 14.218 1.669 193 HA TRP 23 HA TRP 23 1.796 13.210 -0.718 194 1HB TRP 23 HB2 TRP 23 -0.085 11.989 -1.105 195 2HB TRP 23 HB1 TRP 23 -0.308 12.253 0.614 196 HD1 TRP 23 HD1 TRP 23 -2.543 13.265 1.289 197 HE1 TRP 23 HE1 TRP 23 -4.498 14.393 0.090 198 HE3 TRP 23 HE3 TRP 23 -0.499 13.526 -3.327 199 HZ2 TRP 23 HZ2 TRP 23 -5.098 15.266 -2.558 200 HZ3 TRP 23 HZ3 TRP 23 -1.802 14.475 -5.146 201 HH2 TRP 23 HH2 TRP 23 -4.061 15.345 -4.787 202 H HIS 24 HN HIS 24 -0.099 15.960 0.260 203 HA HIS 24 HA HIS 24 0.733 17.557 -1.878 204 1HB HIS 24 HB2 HIS 24 -0.699 16.195 -3.285 205 2HB HIS 24 HB1 HIS 24 -2.056 16.426 -2.190 206 HD1 HIS 24 HD1 HIS 24 0.206 18.559 -4.387 207 HD2 HIS 24 HD2 HIS 24 -3.680 18.471 -2.915 208 HE1 HIS 24 HE1 HIS 24 -0.965 20.506 -5.463 209 HE2 HIS 24 HE2 HIS 24 -3.330 20.400 -4.602 210 H GLY 25 HN GLY 25 -2.153 16.978 0.117 211 1HA GLY 25 HA2 GLY 25 -1.828 19.700 1.207 212 2HA GLY 25 HA1 GLY 25 -3.407 19.133 0.677 213 H GLY 26 HN GLY 26 -4.453 17.469 1.859 214 1HA GLY 26 HA2 GLY 26 -3.258 16.839 4.463 215 2HA GLY 26 HA1 GLY 26 -4.886 17.500 4.383 216 H LYS 27 HN LYS 27 -5.913 15.740 5.214 217 HA LYS 27 HA LYS 27 -5.565 13.158 3.905 218 1HB LYS 27 HB2 LYS 27 -5.572 13.056 6.296 219 2HB LYS 27 HB1 LYS 27 -7.065 13.980 6.389 220 1HG LYS 27 HG2 LYS 27 -8.332 12.166 6.124 221 2HG LYS 27 HG1 LYS 27 -7.331 11.554 4.803 222 1HD LYS 27 HD2 LYS 27 -6.886 9.934 6.336 223 2HD LYS 27 HD1 LYS 27 -5.659 11.100 6.836 224 1HE LYS 27 HE2 LYS 27 -7.824 11.950 8.247 225 2HE LYS 27 HE1 LYS 27 -8.095 10.208 8.209 226 1HZ LYS 27 HZ1 LYS 27 -6.031 11.734 9.565 227 2HZ LYS 27 HZ2 LYS 27 -5.516 10.293 8.845 228 3HZ LYS 27 HZ3 LYS 27 -6.754 10.266 9.996 229 H ASP 28 HN ASP 28 -7.727 15.829 3.933 230 HA ASP 28 HA ASP 28 -10.164 14.698 3.326 231 1HB ASP 28 HB2 ASP 28 -8.891 17.272 2.421 232 2HB ASP 28 HB1 ASP 28 -10.534 16.839 1.958 233 H ASN 29 HN ASN 29 -7.677 15.709 0.973 234 HA ASN 29 HA ASN 29 -9.116 14.488 -1.199 235 1HB ASN 29 HB2 ASN 29 -6.361 15.725 -1.059 236 2HB ASN 29 HB1 ASN 29 -7.107 15.136 -2.542 237 1HD2 ASN 29 HD21 ASN 29 -7.152 17.580 -0.081 238 2HD2 ASN 29 HD22 ASN 29 -8.190 18.684 -0.909 239 H LEU 30 HN LEU 30 -6.569 13.542 0.977 240 HA LEU 30 HA LEU 30 -5.642 11.355 -0.631 241 1HB LEU 30 HB2 LEU 30 -4.389 12.585 1.249 242 2HB LEU 30 HB1 LEU 30 -5.319 11.596 2.348 243 HG LEU 30 HG LEU 30 -3.014 10.751 1.892 244 1HD1 LEU 30 HD11 LEU 30 -4.383 8.477 0.904 245 2HD1 LEU 30 HD12 LEU 30 -5.455 9.338 2.004 246 3HD1 LEU 30 HD13 LEU 30 -3.865 8.827 2.550 247 1HD2 LEU 30 HD21 LEU 30 -4.122 10.231 -0.862 248 2HD2 LEU 30 HD22 LEU 30 -2.629 9.533 -0.230 249 3HD2 LEU 30 HD23 LEU 30 -2.769 11.275 -0.448 250 H HIS 31 HN HIS 31 -8.131 11.869 1.752 251 HA HIS 31 HA HIS 31 -8.656 9.334 2.666 252 1HB HIS 31 HB2 HIS 31 -9.961 11.785 2.744 253 2HB HIS 31 HB1 HIS 31 -11.116 10.728 1.942 254 HD1 HIS 31 HD1 HIS 31 -10.147 11.793 5.201 255 HD2 HIS 31 HD2 HIS 31 -11.468 8.208 3.568 256 HE1 HIS 31 HE1 HIS 31 -10.978 10.436 7.147 257 HE2 HIS 31 HE2 HIS 31 -11.693 8.237 6.145 258 H ASP 32 HN ASP 32 -9.502 10.748 -0.449 259 HA ASP 32 HA ASP 32 -11.040 8.478 -1.297 260 1HB ASP 32 HB2 ASP 32 -10.073 11.001 -2.573 261 2HB ASP 32 HB1 ASP 32 -10.587 9.676 -3.615 262 H VAL 33 HN VAL 33 -7.715 9.349 -1.289 263 HA VAL 33 HA VAL 33 -6.970 7.404 -3.303 264 HB VAL 33 HB VAL 33 -5.670 9.638 -1.936 265 1HG1 VAL 33 HG11 VAL 33 -4.068 7.169 -2.553 266 2HG1 VAL 33 HG12 VAL 33 -4.224 7.970 -0.991 267 3HG1 VAL 33 HG13 VAL 33 -3.371 8.770 -2.314 268 1HG2 VAL 33 HG21 VAL 33 -4.699 9.991 -4.054 269 2HG2 VAL 33 HG22 VAL 33 -6.355 9.451 -4.339 270 3HG2 VAL 33 HG23 VAL 33 -5.012 8.324 -4.545 271 H ASP 34 HN ASP 34 -6.144 7.919 0.160 272 HA ASP 34 HA ASP 34 -4.963 5.392 0.482 273 1HB ASP 34 HB2 ASP 34 -4.425 6.787 2.239 274 2HB ASP 34 HB1 ASP 34 -6.058 7.440 2.365 275 H ASN 35 HN ASN 35 -8.267 6.396 0.279 276 HA ASN 35 HA ASN 35 -9.556 4.281 1.590 277 1HB ASN 35 HB2 ASN 35 -10.279 6.309 -0.392 278 2HB ASN 35 HB1 ASN 35 -11.135 4.792 -0.642 279 1HD2 ASN 35 HD21 ASN 35 -13.072 4.922 0.206 280 2HD2 ASN 35 HD22 ASN 35 -13.471 5.605 1.743 281 H HIS 36 HN HIS 36 -8.309 4.632 -1.690 282 HA HIS 36 HA HIS 36 -9.069 2.135 -2.718 283 1HB HIS 36 HB2 HIS 36 -7.221 4.289 -3.436 284 2HB HIS 36 HB1 HIS 36 -6.598 2.701 -3.876 285 HD1 HIS 36 HD1 HIS 36 -8.442 1.206 -5.309 286 HD2 HIS 36 HD2 HIS 36 -8.878 5.338 -5.291 287 HE1 HIS 36 HE1 HIS 36 -9.902 1.736 -7.285 288 HE2 HIS 36 HE2 HIS 36 -10.242 4.230 -7.189 289 H LEU 37 HN LEU 37 -6.108 3.218 -1.102 290 HA LEU 37 HA LEU 37 -4.751 0.768 -1.042 291 1HB LEU 37 HB2 LEU 37 -3.960 3.127 -0.367 292 2HB LEU 37 HB1 LEU 37 -4.655 2.772 1.197 293 HG LEU 37 HG LEU 37 -2.566 2.103 1.669 294 1HD1 LEU 37 HD11 LEU 37 -3.779 0.027 1.823 295 2HD1 LEU 37 HD12 LEU 37 -2.144 -0.287 1.245 296 3HD1 LEU 37 HD13 LEU 37 -3.497 -0.302 0.114 297 1HD2 LEU 37 HD21 LEU 37 -2.282 1.989 -1.272 298 2HD2 LEU 37 HD22 LEU 37 -1.151 1.031 -0.317 299 3HD2 LEU 37 HD23 LEU 37 -1.266 2.772 -0.063 300 H GLN 38 HN GLN 38 -6.430 2.260 1.713 301 HA GLN 38 HA GLN 38 -6.463 0.166 3.454 302 1HB GLN 38 HB2 GLN 38 -7.511 2.643 3.491 303 2HB GLN 38 HB1 GLN 38 -8.989 1.706 3.310 304 1HG GLN 38 HG2 GLN 38 -8.958 1.084 5.436 305 2HG GLN 38 HG1 GLN 38 -7.272 0.579 5.338 306 1HE2 GLN 38 HE21 GLN 38 -9.409 2.759 6.673 307 2HE2 GLN 38 HE22 GLN 38 -8.275 3.927 7.251 308 H ASN 39 HN ASN 39 -8.775 0.751 0.830 309 HA ASN 39 HA ASN 39 -10.468 -1.442 1.495 310 1HB ASN 39 HB2 ASN 39 -10.786 0.651 -0.147 311 2HB ASN 39 HB1 ASN 39 -10.285 -0.545 -1.338 312 1HD2 ASN 39 HD21 ASN 39 -12.885 0.838 -0.020 313 2HD2 ASN 39 HD22 ASN 39 -14.039 -0.437 -0.184 314 H VAL 40 HN VAL 40 -7.490 -1.145 -0.240 315 HA VAL 40 HA VAL 40 -7.702 -3.664 -1.600 316 HB VAL 40 HB VAL 40 -5.380 -1.789 -1.148 317 1HG1 VAL 40 HG11 VAL 40 -4.759 -3.519 -3.258 318 2HG1 VAL 40 HG12 VAL 40 -5.314 -4.553 -1.942 319 3HG1 VAL 40 HG13 VAL 40 -3.981 -3.429 -1.680 320 1HG2 VAL 40 HG21 VAL 40 -6.445 -2.426 -3.830 321 2HG2 VAL 40 HG22 VAL 40 -5.840 -0.901 -3.182 322 3HG2 VAL 40 HG23 VAL 40 -7.468 -1.450 -2.779 323 H ILE 41 HN ILE 41 -6.238 -2.482 1.394 324 HA ILE 41 HA ILE 41 -4.639 -4.597 2.105 325 HB ILE 41 HB ILE 41 -5.240 -2.383 3.390 326 1HG1 ILE 41 HG12 ILE 41 -4.221 -3.333 5.425 327 2HG1 ILE 41 HG11 ILE 41 -4.518 -4.955 4.807 328 1HG2 ILE 41 HG21 ILE 41 -6.810 -4.267 5.105 329 2HG2 ILE 41 HG22 ILE 41 -7.600 -3.346 3.827 330 3HG2 ILE 41 HG23 ILE 41 -6.766 -2.504 5.131 331 1HD1 ILE 41 HD11 ILE 41 -2.967 -3.103 3.097 332 2HD1 ILE 41 HD12 ILE 41 -2.814 -4.846 3.316 333 3HD1 ILE 41 HD13 ILE 41 -2.186 -3.745 4.542 334 H GLU 42 HN GLU 42 -8.141 -4.367 2.272 335 HA GLU 42 HA GLU 42 -8.484 -6.888 3.612 336 1HB GLU 42 HB2 GLU 42 -10.520 -5.308 2.025 337 2HB GLU 42 HB1 GLU 42 -10.852 -6.550 3.228 338 1HG GLU 42 HG2 GLU 42 -9.505 -3.924 3.804 339 2HG GLU 42 HG1 GLU 42 -11.224 -4.245 4.035 340 H ASP 43 HN ASP 43 -8.641 -5.701 0.298 341 HA ASP 43 HA ASP 43 -9.520 -8.088 -0.898 342 1HB ASP 43 HB2 ASP 43 -7.996 -5.694 -1.882 343 2HB ASP 43 HB1 ASP 43 -8.175 -7.101 -2.925 344 H ILE 44 HN ILE 44 -6.429 -7.007 0.269 345 HA ILE 44 HA ILE 44 -4.999 -9.231 -0.924 346 HB ILE 44 HB ILE 44 -3.894 -7.353 1.157 347 1HG1 ILE 44 HG12 ILE 44 -3.404 -6.816 -1.727 348 2HG1 ILE 44 HG11 ILE 44 -4.972 -6.342 -1.085 349 1HG2 ILE 44 HG21 ILE 44 -2.617 -9.387 0.583 350 2HG2 ILE 44 HG22 ILE 44 -1.765 -7.899 0.169 351 3HG2 ILE 44 HG23 ILE 44 -2.557 -8.842 -1.093 352 1HD1 ILE 44 HD11 ILE 44 -2.756 -5.526 0.611 353 2HD1 ILE 44 HD12 ILE 44 -4.113 -4.589 -0.016 354 3HD1 ILE 44 HD13 ILE 44 -2.682 -4.845 -1.014 355 H HIS 45 HN HIS 45 -6.095 -8.137 2.252 356 HA HIS 45 HA HIS 45 -4.966 -10.219 3.770 357 1HB HIS 45 HB2 HIS 45 -7.286 -8.358 4.220 358 2HB HIS 45 HB1 HIS 45 -6.901 -9.623 5.383 359 HD1 HIS 45 HD1 HIS 45 -6.480 -7.457 6.969 360 HD2 HIS 45 HD2 HIS 45 -3.733 -8.119 3.923 361 HE1 HIS 45 HE1 HIS 45 -4.452 -6.105 7.590 362 HE2 HIS 45 HE2 HIS 45 -2.836 -6.450 5.687 363 H ASP 46 HN ASP 46 -8.126 -9.873 2.199 364 HA ASP 46 HA ASP 46 -9.060 -12.437 3.073 365 1HB ASP 46 HB2 ASP 46 -10.044 -10.323 1.204 366 2HB ASP 46 HB1 ASP 46 -10.714 -11.945 1.055 367 H PHE 47 HN PHE 47 -6.841 -11.419 0.771 368 HA PHE 47 HA PHE 47 -7.312 -13.562 -1.126 369 1HB PHE 47 HB2 PHE 47 -6.247 -12.147 -2.500 370 2HB PHE 47 HB1 PHE 47 -5.923 -11.068 -1.150 371 HD1 PHE 47 HD1 PHE 47 -3.731 -10.513 -0.770 372 HD2 PHE 47 HD2 PHE 47 -4.598 -14.259 -2.566 373 HE1 PHE 47 HE1 PHE 47 -1.326 -10.950 -0.987 374 HE2 PHE 47 HE2 PHE 47 -2.190 -14.711 -2.792 375 HZ PHE 47 HZ PHE 47 -0.550 -13.054 -1.999 376 H MET 48 HN MET 48 -4.959 -12.713 1.359 377 HA MET 48 HA MET 48 -3.016 -14.581 1.025 378 1HB MET 48 HB2 MET 48 -3.867 -12.881 3.099 379 2HB MET 48 HB1 MET 48 -3.679 -14.473 3.822 380 1HG MET 48 HG2 MET 48 -1.623 -13.284 4.044 381 2HG MET 48 HG1 MET 48 -1.395 -14.581 2.873 382 1HE MET 48 HE1 MET 48 -1.661 -11.150 3.814 383 2HE MET 48 HE2 MET 48 -2.201 -10.297 2.368 384 3HE MET 48 HE3 MET 48 -0.481 -10.390 2.745 385 H GLN 49 HN GLN 49 -6.283 -15.180 2.095 386 HA GLN 49 HA GLN 49 -5.593 -17.916 2.835 387 1HB GLN 49 HB2 GLN 49 -7.684 -16.056 3.576 388 2HB GLN 49 HB1 GLN 49 -8.360 -17.606 3.093 389 1HG GLN 49 HG2 GLN 49 -6.181 -18.194 4.755 390 2HG GLN 49 HG1 GLN 49 -7.052 -16.872 5.531 391 1HE2 GLN 49 HE21 GLN 49 -7.254 -20.158 4.382 392 2HE2 GLN 49 HE22 GLN 49 -8.679 -20.588 5.259 393 H GLY 50 HN GLY 50 -5.707 -16.784 0.022 394 1HA GLY 50 HA2 GLY 50 -6.110 -17.790 -2.016 395 2HA GLY 50 HA1 GLY 50 -6.856 -19.131 -1.158 396 H GLY 51 HN GLY 51 -7.858 -15.780 -0.848 397 1HA GLY 51 HA2 GLY 51 -10.502 -16.520 -1.885 398 2HA GLY 51 HA1 GLY 51 -10.125 -15.073 -0.950 399 H GLY 52 HN GLY 52 -8.421 -16.379 -3.694 400 1HA GLY 52 HA2 GLY 52 -8.916 -15.494 -5.977 401 2HA GLY 52 HA1 GLY 52 -8.990 -13.911 -5.208 402 H SER 53 HN SER 53 -6.678 -16.165 -4.019 403 HA SER 53 HA SER 53 -4.492 -14.484 -4.423 404 1HB SER 53 HB2 SER 53 -3.179 -16.223 -3.478 405 2HB SER 53 HB1 SER 53 -4.766 -16.386 -2.721 406 HG SER 53 HG SER 53 -3.444 -18.225 -4.027 407 H GLY 54 HN GLY 54 -2.483 -15.123 -5.573 408 1HA GLY 54 HA2 GLY 54 -1.409 -15.349 -7.591 409 2HA GLY 54 HA1 GLY 54 -2.308 -16.853 -7.714 410 H GLY 55 HN GLY 55 -3.266 -13.410 -7.874 411 1HA GLY 55 HA2 GLY 55 -3.663 -13.246 -10.608 412 2HA GLY 55 HA1 GLY 55 -5.148 -13.915 -9.950 413 H LYS 56 HN LYS 56 -5.002 -12.398 -7.458 414 HA LYS 56 HA LYS 56 -6.073 -9.909 -8.507 415 1HB LYS 56 HB2 LYS 56 -6.873 -9.520 -6.210 416 2HB LYS 56 HB1 LYS 56 -7.405 -11.063 -6.852 417 1HG LYS 56 HG2 LYS 56 -6.802 -11.565 -4.676 418 2HG LYS 56 HG1 LYS 56 -5.395 -12.062 -5.612 419 1HD LYS 56 HD2 LYS 56 -4.952 -10.779 -3.465 420 2HD LYS 56 HD1 LYS 56 -4.140 -10.196 -4.911 421 1HE LYS 56 HE2 LYS 56 -5.703 -8.400 -5.142 422 2HE LYS 56 HE1 LYS 56 -6.725 -9.058 -3.866 423 1HZ LYS 56 HZ1 LYS 56 -4.290 -8.762 -2.681 424 2HZ LYS 56 HZ2 LYS 56 -5.607 -7.714 -2.514 425 3HZ LYS 56 HZ3 LYS 56 -4.410 -7.391 -3.665 426 H LEU 57 HN LEU 57 -3.241 -11.007 -6.827 427 HA LEU 57 HA LEU 57 -2.498 -8.473 -5.782 428 1HB LEU 57 HB2 LEU 57 -1.634 -10.696 -5.006 429 2HB LEU 57 HB1 LEU 57 -0.648 -10.746 -6.454 430 HG LEU 57 HG LEU 57 0.390 -8.570 -5.686 431 1HD1 LEU 57 HD11 LEU 57 -0.407 -9.182 -2.916 432 2HD1 LEU 57 HD12 LEU 57 -1.642 -8.444 -3.934 433 3HD1 LEU 57 HD13 LEU 57 -0.095 -7.631 -3.695 434 1HD2 LEU 57 HD21 LEU 57 0.997 -11.199 -5.092 435 2HD2 LEU 57 HD22 LEU 57 1.103 -10.380 -3.533 436 3HD2 LEU 57 HD23 LEU 57 2.063 -9.808 -4.897 437 H GLN 58 HN GLN 58 -2.638 -9.544 -8.960 438 HA GLN 58 HA GLN 58 -0.334 -8.029 -9.839 439 1HB GLN 58 HB2 GLN 58 -0.738 -8.873 -12.010 440 2HB GLN 58 HB1 GLN 58 -1.107 -10.201 -10.920 441 1HG GLN 58 HG2 GLN 58 -3.517 -9.556 -11.098 442 2HG GLN 58 HG1 GLN 58 -3.051 -8.419 -12.361 443 1HE2 GLN 58 HE21 GLN 58 -2.508 -9.172 -14.369 444 2HE2 GLN 58 HE22 GLN 58 -2.722 -10.816 -14.855 445 H GLU 59 HN GLU 59 -3.860 -7.848 -10.232 446 HA GLU 59 HA GLU 59 -3.639 -5.194 -11.384 447 1HB GLU 59 HB2 GLU 59 -6.061 -6.877 -10.712 448 2HB GLU 59 HB1 GLU 59 -6.115 -5.320 -11.528 449 1HG GLU 59 HG2 GLU 59 -4.315 -6.817 -13.017 450 2HG GLU 59 HG1 GLU 59 -5.594 -7.952 -12.594 451 H MET 60 HN MET 60 -4.562 -6.724 -8.372 452 HA MET 60 HA MET 60 -5.628 -4.345 -7.195 453 1HB MET 60 HB2 MET 60 -6.152 -6.747 -6.510 454 2HB MET 60 HB1 MET 60 -4.598 -6.743 -5.689 455 1HG MET 60 HG2 MET 60 -5.875 -6.107 -3.947 456 2HG MET 60 HG1 MET 60 -5.606 -4.513 -4.651 457 1HE MET 60 HE1 MET 60 -9.128 -7.242 -4.716 458 2HE MET 60 HE2 MET 60 -7.509 -7.595 -5.319 459 3HE MET 60 HE3 MET 60 -8.735 -6.951 -6.411 460 H MET 61 HN MET 61 -2.459 -5.817 -7.446 461 HA MET 61 HA MET 61 -1.165 -4.528 -5.329 462 1HB MET 61 HB2 MET 61 0.197 -6.088 -6.339 463 2HB MET 61 HB1 MET 61 -0.289 -5.624 -7.963 464 1HG MET 61 HG2 MET 61 1.102 -3.638 -7.831 465 2HG MET 61 HG1 MET 61 1.554 -4.048 -6.178 466 1HE MET 61 HE1 MET 61 3.557 -7.197 -6.433 467 2HE MET 61 HE2 MET 61 2.018 -7.660 -7.157 468 3HE MET 61 HE3 MET 61 2.046 -6.583 -5.760 469 H LYS 62 HN LYS 62 -1.565 -3.455 -8.700 470 HA LYS 62 HA LYS 62 -0.274 -0.986 -8.438 471 1HB LYS 62 HB2 LYS 62 -2.088 -2.255 -10.371 472 2HB LYS 62 HB1 LYS 62 -2.181 -0.499 -10.343 473 1HG LYS 62 HG2 LYS 62 0.501 -0.868 -10.370 474 2HG LYS 62 HG1 LYS 62 -0.045 -2.264 -11.301 475 1HD LYS 62 HD2 LYS 62 -1.383 -0.715 -12.718 476 2HD LYS 62 HD1 LYS 62 -0.661 0.638 -11.844 477 1HE LYS 62 HE2 LYS 62 0.907 -1.448 -13.354 478 2HE LYS 62 HE1 LYS 62 0.445 0.120 -14.015 479 1HZ LYS 62 HZ1 LYS 62 2.754 -0.299 -12.809 480 2HZ LYS 62 HZ2 LYS 62 1.838 0.136 -11.455 481 3HZ LYS 62 HZ3 LYS 62 1.966 1.199 -12.763 482 H GLU 63 HN GLU 63 -3.336 -2.048 -7.289 483 HA GLU 63 HA GLU 63 -4.606 0.497 -7.151 484 1HB GLU 63 HB2 GLU 63 -5.516 -2.021 -6.917 485 2HB GLU 63 HB1 GLU 63 -5.371 -1.608 -5.214 486 1HG GLU 63 HG2 GLU 63 -7.193 -0.353 -5.269 487 2HG GLU 63 HG1 GLU 63 -6.644 0.506 -6.706 488 H PHE 64 HN PHE 64 -2.497 -1.324 -5.015 489 HA PHE 64 HA PHE 64 -2.903 0.526 -2.831 490 1HB PHE 64 HB2 PHE 64 -1.592 -0.917 -1.521 491 2HB PHE 64 HB1 PHE 64 -2.448 -1.997 -2.613 492 HD1 PHE 64 HD1 PHE 64 0.804 -0.150 -2.434 493 HD2 PHE 64 HD2 PHE 64 -1.292 -3.666 -3.595 494 HE1 PHE 64 HE1 PHE 64 2.927 -1.190 -3.113 495 HE2 PHE 64 HE2 PHE 64 0.826 -4.707 -4.280 496 HZ PHE 64 HZ PHE 64 2.935 -3.468 -4.037 497 H GLN 65 HN GLN 65 -0.768 0.080 -5.495 498 HA GLN 65 HA GLN 65 1.278 1.850 -4.479 499 1HB GLN 65 HB2 GLN 65 1.582 -0.133 -6.124 500 2HB GLN 65 HB1 GLN 65 1.011 0.993 -7.348 501 1HG GLN 65 HG2 GLN 65 3.049 2.251 -5.793 502 2HG GLN 65 HG1 GLN 65 3.622 0.679 -6.350 503 1HE2 GLN 65 HE21 GLN 65 3.252 0.233 -8.691 504 2HE2 GLN 65 HE22 GLN 65 3.490 1.538 -9.797 505 H GLN 66 HN GLN 66 -1.472 1.975 -6.660 506 HA GLN 66 HA GLN 66 -1.021 4.413 -7.918 507 1HB GLN 66 HB2 GLN 66 -3.258 2.629 -7.519 508 2HB GLN 66 HB1 GLN 66 -3.785 4.301 -7.411 509 1HG GLN 66 HG2 GLN 66 -4.038 3.711 -9.658 510 2HG GLN 66 HG1 GLN 66 -2.569 4.684 -9.595 511 1HE2 GLN 66 HE21 GLN 66 -0.529 3.565 -9.633 512 2HE2 GLN 66 HE22 GLN 66 -0.401 2.042 -10.438 513 H VAL 67 HN VAL 67 -2.156 3.694 -4.701 514 HA VAL 67 HA VAL 67 -3.190 6.192 -3.968 515 HB VAL 67 HB VAL 67 -1.767 4.117 -2.280 516 1HG1 VAL 67 HG11 VAL 67 -3.766 5.883 -1.032 517 2HG1 VAL 67 HG12 VAL 67 -2.231 6.641 -1.451 518 3HG1 VAL 67 HG13 VAL 67 -2.258 5.237 -0.386 519 1HG2 VAL 67 HG21 VAL 67 -4.590 4.233 -1.881 520 2HG2 VAL 67 HG22 VAL 67 -3.602 2.891 -2.457 521 3HG2 VAL 67 HG23 VAL 67 -4.255 4.061 -3.604 522 H LEU 68 HN LEU 68 0.084 4.923 -4.003 523 HA LEU 68 HA LEU 68 1.259 7.287 -2.828 524 1HB LEU 68 HB2 LEU 68 2.187 4.666 -3.824 525 2HB LEU 68 HB1 LEU 68 3.339 5.987 -3.928 526 HG LEU 68 HG LEU 68 2.442 6.313 -1.387 527 1HD1 LEU 68 HD11 LEU 68 2.854 3.590 -0.880 528 2HD1 LEU 68 HD12 LEU 68 1.641 3.663 -2.158 529 3HD1 LEU 68 HD13 LEU 68 1.375 4.519 -0.638 530 1HD2 LEU 68 HD21 LEU 68 4.793 5.324 -2.721 531 2HD2 LEU 68 HD22 LEU 68 4.558 4.473 -1.194 532 3HD2 LEU 68 HD23 LEU 68 4.660 6.232 -1.216 533 H ASP 69 HN ASP 69 -0.078 6.634 -5.793 534 HA ASP 69 HA ASP 69 1.802 7.982 -7.492 535 1HB ASP 69 HB2 ASP 69 -0.257 6.269 -7.984 536 2HB ASP 69 HB1 ASP 69 -1.027 7.811 -8.348 537 H GLU 70 HN GLU 70 -1.474 8.754 -6.287 538 HA GLU 70 HA GLU 70 -1.591 11.425 -7.109 539 1HB GLU 70 HB2 GLU 70 -3.320 9.831 -5.832 540 2HB GLU 70 HB1 GLU 70 -2.677 10.662 -4.420 541 1HG GLU 70 HG2 GLU 70 -4.783 11.606 -5.409 542 2HG GLU 70 HG1 GLU 70 -3.466 12.741 -5.149 543 H LEU 71 HN LEU 71 -0.170 9.858 -4.386 544 HA LEU 71 HA LEU 71 0.597 12.167 -2.923 545 1HB LEU 71 HB2 LEU 71 0.208 10.231 -1.708 546 2HB LEU 71 HB1 LEU 71 1.103 9.233 -2.829 547 HG LEU 71 HG LEU 71 3.042 10.917 -1.797 548 1HD1 LEU 71 HD11 LEU 71 2.308 10.041 0.726 549 2HD1 LEU 71 HD12 LEU 71 0.831 10.723 0.053 550 3HD1 LEU 71 HD13 LEU 71 2.290 11.706 0.147 551 1HD2 LEU 71 HD21 LEU 71 3.571 8.691 -2.165 552 2HD2 LEU 71 HD22 LEU 71 2.154 8.113 -1.292 553 3HD2 LEU 71 HD23 LEU 71 3.517 8.785 -0.404 554 H ASN 72 HN ASN 72 2.708 9.651 -4.306 555 HA ASN 72 HA ASN 72 5.075 11.034 -4.186 556 1HB ASN 72 HB2 ASN 72 4.713 8.601 -4.822 557 2HB ASN 72 HB1 ASN 72 4.399 9.169 -6.458 558 1HD2 ASN 72 HD21 ASN 72 6.341 7.517 -6.435 559 2HD2 ASN 72 HD22 ASN 72 7.896 8.268 -6.482 560 H ASN 73 HN ASN 73 2.484 11.468 -6.454 561 HA ASN 73 HA ASN 73 4.123 13.017 -8.279 562 1HB ASN 73 HB2 ASN 73 2.047 11.479 -8.815 563 2HB ASN 73 HB1 ASN 73 1.141 12.947 -8.463 564 1HD2 ASN 73 HD21 ASN 73 1.980 14.928 -9.610 565 2HD2 ASN 73 HD22 ASN 73 2.432 14.731 -11.265 566 H HIS 74 HN HIS 74 3.093 13.730 -5.330 567 HA HIS 74 HA HIS 74 2.997 16.566 -5.881 568 1HB HIS 74 HB2 HIS 74 0.597 15.043 -4.965 569 2HB HIS 74 HB1 HIS 74 0.869 16.663 -4.330 570 HD1 HIS 74 HD1 HIS 74 2.016 17.850 -7.036 571 HD2 HIS 74 HD2 HIS 74 -1.523 15.718 -6.604 572 HE1 HIS 74 HE1 HIS 74 0.581 18.529 -8.984 573 HE2 HIS 74 HE2 HIS 74 -1.521 17.158 -8.750 574 H LEU 75 HN LEU 75 4.817 14.830 -4.484 575 HA LEU 75 HA LEU 75 4.590 14.829 -1.711 576 1HB LEU 75 HB2 LEU 75 6.697 14.565 -3.653 577 2HB LEU 75 HB1 LEU 75 7.254 15.573 -2.333 578 HG LEU 75 HG LEU 75 7.898 13.415 -1.728 579 1HD1 LEU 75 HD11 LEU 75 6.490 14.746 -0.029 580 2HD1 LEU 75 HD12 LEU 75 6.821 13.044 0.298 581 3HD1 LEU 75 HD13 LEU 75 5.250 13.531 -0.339 582 1HD2 LEU 75 HD21 LEU 75 6.563 11.449 -1.924 583 2HD2 LEU 75 HD22 LEU 75 6.510 12.296 -3.469 584 3HD2 LEU 75 HD23 LEU 75 5.140 12.394 -2.364 585 H GLN 76 HN GLN 76 3.521 16.685 -1.033 586 HA GLN 76 HA GLN 76 4.256 19.295 -1.736 587 1HB GLN 76 HB2 GLN 76 2.794 20.018 0.080 588 2HB GLN 76 HB1 GLN 76 2.044 18.726 -0.848 589 1HG GLN 76 HG2 GLN 76 1.836 17.459 0.953 590 2HG GLN 76 HG1 GLN 76 3.544 17.641 1.350 591 1HE2 GLN 76 HE21 GLN 76 3.707 20.331 1.825 592 2HE2 GLN 76 HE22 GLN 76 2.769 20.736 3.218 593 H GLY 77 HN GLY 77 6.652 18.838 -1.400 594 1HA GLY 77 HA2 GLY 77 8.597 19.283 -0.268 595 2HA GLY 77 HA1 GLY 77 7.629 20.368 0.717 596 H GLY 78 HN GLY 78 6.990 16.934 0.544 597 1HA GLY 78 HA2 GLY 78 8.244 16.575 3.185 598 2HA GLY 78 HA1 GLY 78 6.561 16.130 2.951 599 H LYS 79 HN LYS 79 9.387 15.677 0.857 600 HA LYS 79 HA LYS 79 8.717 13.164 -0.068 601 1HB LYS 79 HB2 LYS 79 11.403 14.477 0.294 602 2HB LYS 79 HB1 LYS 79 11.219 12.910 -0.481 603 1HG LYS 79 HG2 LYS 79 10.672 13.859 -2.405 604 2HG LYS 79 HG1 LYS 79 9.389 14.795 -1.635 605 1HD LYS 79 HD2 LYS 79 12.310 15.557 -1.660 606 2HD LYS 79 HD1 LYS 79 11.085 16.212 -2.749 607 1HE LYS 79 HE2 LYS 79 9.822 16.949 -0.695 608 2HE LYS 79 HE1 LYS 79 11.252 16.516 0.241 609 1HZ LYS 79 HZ1 LYS 79 12.471 18.055 -1.379 610 2HZ LYS 79 HZ2 LYS 79 11.517 18.767 -0.177 611 3HZ LYS 79 HZ3 LYS 79 10.938 18.660 -1.762 612 H HIS 80 HN HIS 80 10.523 14.042 2.822 613 HA HIS 80 HA HIS 80 11.558 11.619 3.592 614 1HB HIS 80 HB2 HIS 80 11.523 14.033 4.730 615 2HB HIS 80 HB1 HIS 80 10.290 13.267 5.723 616 HD1 HIS 80 HD1 HIS 80 11.816 10.415 5.629 617 HD2 HIS 80 HD2 HIS 80 13.368 14.079 6.826 618 HE1 HIS 80 HE1 HIS 80 13.746 9.865 7.145 619 HE2 HIS 80 HE2 HIS 80 14.608 12.097 7.932 620 H THR 81 HN THR 81 8.225 12.681 3.765 621 HA THR 81 HA THR 81 7.312 10.591 5.468 622 HB THR 81 HB THR 81 6.043 12.610 3.677 623 HG1 THR 81 HG1 THR 81 6.542 12.989 5.915 624 1HG2 THR 81 HG21 THR 81 3.831 11.505 4.742 625 2HG2 THR 81 HG22 THR 81 4.767 10.052 4.372 626 3HG2 THR 81 HG23 THR 81 4.391 11.215 3.091 627 H VAL 82 HN VAL 82 6.424 11.083 2.082 628 HA VAL 82 HA VAL 82 5.624 8.509 1.519 629 HB VAL 82 HB VAL 82 7.065 10.289 -0.451 630 1HG1 VAL 82 HG11 VAL 82 6.735 8.189 -1.444 631 2HG1 VAL 82 HG12 VAL 82 5.373 9.156 -2.006 632 3HG1 VAL 82 HG13 VAL 82 5.148 7.990 -0.705 633 1HG2 VAL 82 HG21 VAL 82 4.704 11.054 -0.982 634 2HG2 VAL 82 HG22 VAL 82 5.413 11.664 0.510 635 3HG2 VAL 82 HG23 VAL 82 4.241 10.352 0.565 636 H HIS 83 HN HIS 83 8.928 9.845 1.424 637 HA HIS 83 HA HIS 83 10.247 7.776 0.162 638 1HB HIS 83 HB2 HIS 83 10.982 9.879 2.042 639 2HB HIS 83 HB1 HIS 83 11.937 8.423 2.291 640 HD1 HIS 83 HD1 HIS 83 11.098 10.922 -0.423 641 HD2 HIS 83 HD2 HIS 83 13.935 8.022 0.468 642 HE1 HIS 83 HE1 HIS 83 12.880 11.162 -2.182 643 HE2 HIS 83 HE2 HIS 83 14.549 9.347 -1.666 644 H HIS 84 HN HIS 84 9.150 8.014 3.499 645 HA HIS 84 HA HIS 84 10.185 5.443 4.253 646 1HB HIS 84 HB2 HIS 84 9.327 7.663 5.640 647 2HB HIS 84 HB1 HIS 84 8.011 6.522 5.899 648 HD1 HIS 84 HD1 HIS 84 9.549 3.914 6.213 649 HD2 HIS 84 HD2 HIS 84 10.726 7.498 7.957 650 HE1 HIS 84 HE1 HIS 84 10.997 3.267 8.165 651 HE2 HIS 84 HE2 HIS 84 11.635 5.450 9.250 652 H ILE 85 HN ILE 85 7.211 6.679 2.928 653 HA ILE 85 HA ILE 85 5.782 4.225 3.467 654 HB ILE 85 HB ILE 85 3.883 5.346 3.145 655 1HG1 ILE 85 HG12 ILE 85 4.692 7.092 0.893 656 2HG1 ILE 85 HG11 ILE 85 4.505 5.372 0.581 657 1HG2 ILE 85 HG21 ILE 85 4.025 7.832 3.215 658 2HG2 ILE 85 HG22 ILE 85 5.771 7.639 3.126 659 3HG2 ILE 85 HG23 ILE 85 4.885 6.958 4.483 660 1HD1 ILE 85 HD11 ILE 85 2.501 7.141 0.391 661 2HD1 ILE 85 HD12 ILE 85 2.309 6.641 2.070 662 3HD1 ILE 85 HD13 ILE 85 2.267 5.440 0.784 663 H GLU 86 HN GLU 86 7.404 5.734 0.762 664 HA GLU 86 HA GLU 86 6.421 3.873 -1.186 665 1HB GLU 86 HB2 GLU 86 8.316 4.811 -2.588 666 2HB GLU 86 HB1 GLU 86 7.120 5.974 -2.042 667 1HG GLU 86 HG2 GLU 86 8.691 7.198 -1.118 668 2HG GLU 86 HG1 GLU 86 9.182 5.845 -0.103 669 H GLN 87 HN GLN 87 9.383 4.200 0.740 670 HA GLN 87 HA GLN 87 10.722 1.969 -0.360 671 1HB GLN 87 HB2 GLN 87 11.016 3.687 2.019 672 2HB GLN 87 HB1 GLN 87 11.621 2.050 2.225 673 1HG GLN 87 HG2 GLN 87 13.340 3.653 1.481 674 2HG GLN 87 HG1 GLN 87 13.115 2.301 0.373 675 1HE2 GLN 87 HE21 GLN 87 12.400 2.675 -1.673 676 2HE2 GLN 87 HE22 GLN 87 12.160 4.254 -2.331 677 H ASN 88 HN ASN 88 8.212 2.370 1.989 678 HA ASN 88 HA ASN 88 8.334 -0.345 2.963 679 1HB ASN 88 HB2 ASN 88 6.757 2.098 3.570 680 2HB ASN 88 HB1 ASN 88 5.959 0.557 3.872 681 1HD2 ASN 88 HD21 ASN 88 9.202 1.936 4.324 682 2HD2 ASN 88 HD22 ASN 88 9.384 1.405 5.958 683 H ILE 89 HN ILE 89 5.911 1.594 1.187 684 HA ILE 89 HA ILE 89 4.279 -0.598 0.536 685 HB ILE 89 HB ILE 89 4.259 2.221 -0.022 686 1HG1 ILE 89 HG12 ILE 89 1.845 0.778 -0.677 687 2HG1 ILE 89 HG11 ILE 89 2.567 0.166 0.810 688 1HG2 ILE 89 HG21 ILE 89 4.792 1.739 -2.318 689 2HG2 ILE 89 HG22 ILE 89 3.076 2.127 -2.211 690 3HG2 ILE 89 HG23 ILE 89 3.590 0.450 -2.370 691 1HD1 ILE 89 HD11 ILE 89 1.567 1.843 1.869 692 2HD1 ILE 89 HD12 ILE 89 1.097 2.606 0.351 693 3HD1 ILE 89 HD13 ILE 89 2.679 2.944 1.056 694 H LYS 90 HN LYS 90 6.702 1.117 -1.445 695 HA LYS 90 HA LYS 90 6.380 -0.515 -3.683 696 1HB LYS 90 HB2 LYS 90 8.949 0.824 -2.800 697 2HB LYS 90 HB1 LYS 90 8.558 0.293 -4.429 698 1HG LYS 90 HG2 LYS 90 6.919 2.351 -2.987 699 2HG LYS 90 HG1 LYS 90 8.347 2.772 -3.935 700 1HD LYS 90 HD2 LYS 90 6.776 1.049 -5.529 701 2HD LYS 90 HD1 LYS 90 5.680 2.240 -4.827 702 1HE LYS 90 HE2 LYS 90 6.493 3.090 -6.917 703 2HE LYS 90 HE1 LYS 90 7.215 4.030 -5.611 704 1HZ LYS 90 HZ1 LYS 90 9.273 3.138 -5.981 705 2HZ LYS 90 HZ2 LYS 90 8.670 3.147 -7.561 706 3HZ LYS 90 HZ3 LYS 90 8.674 1.711 -6.666 707 H GLU 91 HN GLU 91 8.010 -1.017 -0.681 708 HA GLU 91 HA GLU 91 9.359 -3.419 -1.631 709 1HB GLU 91 HB2 GLU 91 10.554 -1.939 -0.071 710 2HB GLU 91 HB1 GLU 91 9.282 -2.165 1.121 711 1HG GLU 91 HG2 GLU 91 9.838 -4.471 1.379 712 2HG GLU 91 HG1 GLU 91 10.965 -4.403 0.027 713 H ILE 92 HN ILE 92 6.312 -2.627 -0.703 714 HA ILE 92 HA ILE 92 5.701 -4.855 0.982 715 HB ILE 92 HB ILE 92 4.362 -2.458 0.155 716 1HG1 ILE 92 HG12 ILE 92 3.077 -2.841 2.178 717 2HG1 ILE 92 HG11 ILE 92 3.597 -4.523 2.219 718 1HG2 ILE 92 HG21 ILE 92 2.677 -4.941 -0.074 719 2HG2 ILE 92 HG22 ILE 92 3.097 -3.846 -1.392 720 3HG2 ILE 92 HG23 ILE 92 2.078 -3.283 -0.068 721 1HD1 ILE 92 HD11 ILE 92 5.988 -3.361 2.235 722 2HD1 ILE 92 HD12 ILE 92 5.066 -3.670 3.707 723 3HD1 ILE 92 HD13 ILE 92 5.047 -2.065 2.974 724 H PHE 93 HN PHE 93 5.139 -3.921 -2.383 725 HA PHE 93 HA PHE 93 3.695 -6.116 -3.256 726 1HB PHE 93 HB2 PHE 93 4.057 -5.292 -5.354 727 2HB PHE 93 HB1 PHE 93 4.673 -3.905 -4.458 728 HD1 PHE 93 HD1 PHE 93 5.355 -5.780 -7.193 729 HD2 PHE 93 HD2 PHE 93 7.235 -4.483 -3.608 730 HE1 PHE 93 HE1 PHE 93 7.558 -6.089 -8.240 731 HE2 PHE 93 HE2 PHE 93 9.434 -4.794 -4.638 732 HZ PHE 93 HZ PHE 93 9.609 -5.589 -6.968 733 H HIS 94 HN HIS 94 7.065 -5.850 -2.429 734 HA HIS 94 HA HIS 94 8.028 -8.130 -3.788 735 1HB HIS 94 HB2 HIS 94 9.151 -6.132 -2.231 736 2HB HIS 94 HB1 HIS 94 9.362 -7.573 -1.243 737 HD1 HIS 94 HD1 HIS 94 9.638 -9.280 -4.095 738 HD2 HIS 94 HD2 HIS 94 11.983 -6.180 -2.625 739 HE1 HIS 94 HE1 HIS 94 11.862 -9.516 -5.245 740 HE2 HIS 94 HE2 HIS 94 13.288 -7.674 -4.284 741 H HIS 95 HN HIS 95 7.393 -7.720 -0.310 742 HA HIS 95 HA HIS 95 7.405 -10.471 0.271 743 1HB HIS 95 HB2 HIS 95 7.123 -8.078 1.717 744 2HB HIS 95 HB1 HIS 95 5.654 -8.991 2.038 745 HD1 HIS 95 HD1 HIS 95 9.097 -10.488 1.585 746 HD2 HIS 95 HD2 HIS 95 6.258 -9.882 4.557 747 HE1 HIS 95 HE1 HIS 95 9.936 -11.760 3.585 748 HE2 HIS 95 HE2 HIS 95 8.245 -11.307 5.398 749 H LEU 96 HN LEU 96 5.189 -8.595 -1.463 750 HA LEU 96 HA LEU 96 2.870 -10.217 -0.769 751 1HB LEU 96 HB2 LEU 96 3.308 -7.877 -2.606 752 2HB LEU 96 HB1 LEU 96 1.796 -8.768 -2.581 753 HG LEU 96 HG LEU 96 3.023 -7.182 -0.350 754 1HD1 LEU 96 HD11 LEU 96 1.868 -5.823 -1.967 755 2HD1 LEU 96 HD12 LEU 96 0.883 -5.934 -0.508 756 3HD1 LEU 96 HD13 LEU 96 0.469 -6.898 -1.926 757 1HD2 LEU 96 HD21 LEU 96 0.610 -8.978 -0.299 758 2HD2 LEU 96 HD22 LEU 96 1.014 -7.801 0.956 759 3HD2 LEU 96 HD23 LEU 96 2.094 -9.160 0.638 760 H GLU 97 HN GLU 97 4.397 -9.293 -3.850 761 HA GLU 97 HA GLU 97 3.291 -11.455 -5.287 762 1HB GLU 97 HB2 GLU 97 4.226 -9.291 -6.238 763 2HB GLU 97 HB1 GLU 97 5.827 -9.978 -5.998 764 1HG GLU 97 HG2 GLU 97 5.434 -11.691 -7.571 765 2HG GLU 97 HG1 GLU 97 3.706 -11.348 -7.622 766 H GLU 98 HN GLU 98 5.805 -11.299 -3.013 767 HA GLU 98 HA GLU 98 7.306 -13.538 -4.087 768 1HB GLU 98 HB2 GLU 98 8.447 -11.756 -2.824 769 2HB GLU 98 HB1 GLU 98 7.506 -12.170 -1.397 770 1HG GLU 98 HG2 GLU 98 8.554 -14.554 -1.846 771 2HG GLU 98 HG1 GLU 98 9.789 -13.585 -2.650 772 H LEU 99 HN LEU 99 4.667 -13.004 -1.921 773 HA LEU 99 HA LEU 99 4.843 -15.455 -0.486 774 1HB LEU 99 HB2 LEU 99 3.576 -13.434 0.264 775 2HB LEU 99 HB1 LEU 99 2.396 -13.761 -0.990 776 HG LEU 99 HG LEU 99 1.960 -15.977 0.091 777 1HD1 LEU 99 HD11 LEU 99 2.728 -15.692 2.669 778 2HD1 LEU 99 HD12 LEU 99 4.113 -14.996 1.829 779 3HD1 LEU 99 HD13 LEU 99 3.603 -16.644 1.468 780 1HD2 LEU 99 HD21 LEU 99 1.343 -13.328 1.225 781 2HD2 LEU 99 HD22 LEU 99 1.018 -14.710 2.271 782 3HD2 LEU 99 HD23 LEU 99 0.264 -14.613 0.680 783 H VAL 100 HN VAL 100 2.518 -14.406 -2.989 784 HA VAL 100 HA VAL 100 1.498 -17.006 -3.434 785 HB VAL 100 HB VAL 100 1.454 -14.713 -5.396 786 1HG1 VAL 100 HG11 VAL 100 0.186 -16.021 -6.665 787 2HG1 VAL 100 HG12 VAL 100 -0.916 -16.321 -5.321 788 3HG1 VAL 100 HG13 VAL 100 0.495 -17.354 -5.553 789 1HG2 VAL 100 HG21 VAL 100 0.595 -13.790 -3.416 790 2HG2 VAL 100 HG22 VAL 100 -0.251 -15.278 -2.988 791 3HG2 VAL 100 HG23 VAL 100 -0.826 -14.292 -4.334 792 H HIS 101 HN HIS 101 4.180 -15.237 -4.808 793 HA HIS 101 HA HIS 101 4.650 -17.374 -6.759 794 1HB HIS 101 HB2 HIS 101 4.800 -14.671 -7.065 795 2HB HIS 101 HB1 HIS 101 6.480 -15.062 -6.721 796 HD1 HIS 101 HD1 HIS 101 6.559 -17.800 -8.238 797 HD2 HIS 101 HD2 HIS 101 5.029 -14.252 -9.766 798 HE1 HIS 101 HE1 HIS 101 6.671 -18.042 -10.739 799 HE2 HIS 101 HE2 HIS 101 5.665 -15.915 -11.642 800 H ARG 102 HN ARG 102 5.097 -17.800 -3.933 801 HA ARG 102 HA ARG 102 7.989 -17.779 -3.617 802 1HB ARG 102 HB2 ARG 102 5.983 -17.466 -1.819 803 2HB ARG 102 HB1 ARG 102 6.322 -19.179 -1.619 804 1HG ARG 102 HG2 ARG 102 8.768 -17.664 -1.688 805 2HG ARG 102 HG1 ARG 102 7.672 -17.033 -0.458 806 1HD ARG 102 HD2 ARG 102 7.449 -19.254 0.509 807 2HD ARG 102 HD1 ARG 102 8.488 -19.923 -0.749 808 HE ARG 102 HE ARG 102 9.312 -18.509 1.607 809 1HH1 ARG 102 HH11 ARG 102 10.192 -19.343 -1.665 810 2HH1 ARG 102 HH12 ARG 102 11.891 -19.156 -1.389 811 1HH2 ARG 102 HH21 ARG 102 11.546 -18.266 1.974 812 2HH2 ARG 102 HH22 ARG 102 12.660 -18.547 0.678 Start of MODEL 2 1 1H MET 1 HT1 MET 1 0.937 -22.144 5.707 2 2H MET 1 HT2 MET 1 2.098 -20.996 6.234 3 3H MET 1 HT3 MET 1 1.839 -21.247 4.557 4 HA MET 1 HA MET 1 -0.482 -20.522 4.916 5 1HB MET 1 HB2 MET 1 0.185 -20.808 7.541 6 2HB MET 1 HB1 MET 1 0.396 -19.074 7.336 7 1HG MET 1 HG2 MET 1 -1.900 -18.931 6.456 8 2HG MET 1 HG1 MET 1 -2.099 -20.655 6.763 9 1HE MET 1 HE1 MET 1 -0.751 -20.733 10.214 10 2HE MET 1 HE2 MET 1 -1.400 -21.666 8.866 11 3HE MET 1 HE3 MET 1 -2.436 -21.249 10.231 12 H TYR 2 HN TYR 2 -0.296 -19.097 3.308 13 HA TYR 2 HA TYR 2 1.772 -17.031 3.436 14 1HB TYR 2 HB2 TYR 2 -0.022 -17.952 1.184 15 2HB TYR 2 HB1 TYR 2 1.101 -16.604 1.050 16 HD1 TYR 2 HD1 TYR 2 0.785 -20.244 1.294 17 HD2 TYR 2 HD2 TYR 2 3.499 -16.985 0.951 18 HE1 TYR 2 HE1 TYR 2 2.578 -21.809 0.678 19 HE2 TYR 2 HE2 TYR 2 5.298 -18.541 0.332 20 HH TYR 2 HH TYR 2 5.613 -20.741 -0.544 21 H GLY 3 HN GLY 3 -0.333 -16.722 5.246 22 1HA GLY 3 HA2 GLY 3 -1.802 -14.443 4.071 23 2HA GLY 3 HA1 GLY 3 -2.474 -15.484 5.316 24 H LYS 4 HN LYS 4 0.242 -15.510 6.666 25 HA LYS 4 HA LYS 4 -0.271 -13.408 8.476 26 1HB LYS 4 HB2 LYS 4 0.961 -15.540 9.005 27 2HB LYS 4 HB1 LYS 4 2.342 -14.887 8.132 28 1HG LYS 4 HG2 LYS 4 2.796 -14.455 10.379 29 2HG LYS 4 HG1 LYS 4 2.219 -12.915 9.739 30 1HD LYS 4 HD2 LYS 4 -0.093 -13.668 10.568 31 2HD LYS 4 HD1 LYS 4 0.790 -14.871 11.511 32 1HE LYS 4 HE2 LYS 4 1.476 -11.950 11.622 33 2HE LYS 4 HE1 LYS 4 0.223 -12.649 12.647 34 1HZ LYS 4 HZ1 LYS 4 1.857 -14.164 13.564 35 2HZ LYS 4 HZ2 LYS 4 2.365 -12.564 13.770 36 3HZ LYS 4 HZ3 LYS 4 3.061 -13.523 12.563 37 H LEU 5 HN LEU 5 1.276 -13.379 5.449 38 HA LEU 5 HA LEU 5 3.195 -11.392 5.799 39 1HB LEU 5 HB2 LEU 5 2.050 -12.708 3.629 40 2HB LEU 5 HB1 LEU 5 1.645 -11.024 3.359 41 HG LEU 5 HG LEU 5 3.689 -11.476 2.208 42 1HD1 LEU 5 HD11 LEU 5 4.031 -9.361 2.900 43 2HD1 LEU 5 HD12 LEU 5 5.310 -10.114 3.853 44 3HD1 LEU 5 HD13 LEU 5 3.755 -9.755 4.595 45 1HD2 LEU 5 HD21 LEU 5 5.299 -12.147 4.568 46 2HD2 LEU 5 HD22 LEU 5 5.345 -12.807 2.933 47 3HD2 LEU 5 HD23 LEU 5 4.141 -13.388 4.083 48 H ASN 6 HN ASN 6 -0.236 -11.299 6.012 49 HA ASN 6 HA ASN 6 -0.822 -8.671 5.440 50 1HB ASN 6 HB2 ASN 6 -2.679 -8.929 7.120 51 2HB ASN 6 HB1 ASN 6 -2.627 -10.145 5.848 52 1HD2 ASN 6 HD21 ASN 6 -4.056 -10.860 7.894 53 2HD2 ASN 6 HD22 ASN 6 -3.237 -11.978 8.925 54 H ASP 7 HN ASP 7 0.323 -10.089 8.475 55 HA ASP 7 HA ASP 7 0.225 -7.878 10.126 56 1HB ASP 7 HB2 ASP 7 1.179 -10.387 10.420 57 2HB ASP 7 HB1 ASP 7 2.700 -9.510 10.289 58 H LEU 8 HN LEU 8 2.446 -8.675 7.561 59 HA LEU 8 HA LEU 8 4.143 -6.374 8.097 60 1HB LEU 8 HB2 LEU 8 5.273 -8.360 7.371 61 2HB LEU 8 HB1 LEU 8 4.205 -8.533 5.994 62 HG LEU 8 HG LEU 8 6.577 -7.680 5.561 63 1HD1 LEU 8 HD11 LEU 8 5.689 -7.147 3.608 64 2HD1 LEU 8 HD12 LEU 8 5.084 -5.630 4.273 65 3HD1 LEU 8 HD13 LEU 8 4.092 -7.086 4.352 66 1HD2 LEU 8 HD21 LEU 8 7.268 -5.687 6.314 67 2HD2 LEU 8 HD22 LEU 8 5.987 -5.871 7.512 68 3HD2 LEU 8 HD23 LEU 8 5.696 -4.931 6.049 69 H LEU 9 HN LEU 9 1.545 -7.363 5.974 70 HA LEU 9 HA LEU 9 1.839 -5.306 4.048 71 1HB LEU 9 HB2 LEU 9 0.190 -7.490 4.370 72 2HB LEU 9 HB1 LEU 9 -0.909 -6.143 4.589 73 HG LEU 9 HG LEU 9 0.794 -6.721 2.170 74 1HD1 LEU 9 HD11 LEU 9 -2.065 -6.319 1.827 75 2HD1 LEU 9 HD12 LEU 9 -1.685 -7.685 2.876 76 3HD1 LEU 9 HD13 LEU 9 -1.022 -7.615 1.245 77 1HD2 LEU 9 HD21 LEU 9 0.612 -4.613 1.494 78 2HD2 LEU 9 HD22 LEU 9 0.039 -4.206 3.110 79 3HD2 LEU 9 HD23 LEU 9 -1.117 -4.590 1.838 80 H GLU 10 HN GLU 10 0.168 -5.572 7.131 81 HA GLU 10 HA GLU 10 -1.414 -3.323 7.139 82 1HB GLU 10 HB2 GLU 10 -0.523 -5.186 9.033 83 2HB GLU 10 HB1 GLU 10 -0.094 -3.616 9.696 84 1HG GLU 10 HG2 GLU 10 -2.350 -2.879 9.627 85 2HG GLU 10 HG1 GLU 10 -2.844 -4.286 8.686 86 H ASP 11 HN ASP 11 2.058 -3.544 7.808 87 HA ASP 11 HA ASP 11 2.611 -1.046 8.788 88 1HB ASP 11 HB2 ASP 11 4.104 -3.001 7.136 89 2HB ASP 11 HB1 ASP 11 4.734 -1.356 7.140 90 H LEU 12 HN LEU 12 2.092 -1.973 5.428 91 HA LEU 12 HA LEU 12 2.686 0.450 4.195 92 1HB LEU 12 HB2 LEU 12 2.323 -0.936 2.480 93 2HB LEU 12 HB1 LEU 12 1.410 -2.040 3.483 94 HG LEU 12 HG LEU 12 -0.062 0.371 2.595 95 1HD1 LEU 12 HD11 LEU 12 -0.311 -1.424 0.458 96 2HD1 LEU 12 HD12 LEU 12 1.417 -1.175 0.700 97 3HD1 LEU 12 HD13 LEU 12 0.355 0.208 0.436 98 1HD2 LEU 12 HD21 LEU 12 -1.437 -1.952 1.942 99 2HD2 LEU 12 HD22 LEU 12 -1.664 -0.961 3.380 100 3HD2 LEU 12 HD23 LEU 12 -0.579 -2.348 3.430 101 H GLN 13 HN GLN 13 -0.546 -0.795 5.032 102 HA GLN 13 HA GLN 13 -2.000 1.465 4.456 103 1HB GLN 13 HB2 GLN 13 -2.956 -0.746 5.086 104 2HB GLN 13 HB1 GLN 13 -2.530 -0.424 6.761 105 1HG GLN 13 HG2 GLN 13 -4.087 1.720 5.573 106 2HG GLN 13 HG1 GLN 13 -4.922 0.168 5.540 107 1HE2 GLN 13 HE21 GLN 13 -6.221 -0.057 7.200 108 2HE2 GLN 13 HE22 GLN 13 -5.925 0.484 8.814 109 H GLU 14 HN GLU 14 -0.183 0.722 7.389 110 HA GLU 14 HA GLU 14 -1.074 3.057 8.802 111 1HB GLU 14 HB2 GLU 14 0.721 0.792 9.311 112 2HB GLU 14 HB1 GLU 14 1.284 2.303 10.012 113 1HG GLU 14 HG2 GLU 14 -1.551 1.777 10.468 114 2HG GLU 14 HG1 GLU 14 -0.473 0.573 11.172 115 H VAL 15 HN VAL 15 1.530 2.230 6.649 116 HA VAL 15 HA VAL 15 3.162 4.473 7.180 117 HB VAL 15 HB VAL 15 3.586 2.254 5.768 118 1HG1 VAL 15 HG11 VAL 15 3.921 3.401 3.327 119 2HG1 VAL 15 HG12 VAL 15 2.365 4.068 3.810 120 3HG1 VAL 15 HG13 VAL 15 2.599 2.325 3.758 121 1HG2 VAL 15 HG21 VAL 15 5.202 3.952 6.583 122 2HG2 VAL 15 HG22 VAL 15 4.956 4.839 5.076 123 3HG2 VAL 15 HG23 VAL 15 5.632 3.204 5.046 124 H LEU 16 HN LEU 16 0.304 3.961 5.270 125 HA LEU 16 HA LEU 16 0.448 6.265 3.655 126 1HB LEU 16 HB2 LEU 16 -1.778 4.491 4.583 127 2HB LEU 16 HB1 LEU 16 -2.153 5.984 3.743 128 HG LEU 16 HG LEU 16 -2.183 4.272 2.108 129 1HD1 LEU 16 HD11 LEU 16 -0.939 6.387 1.556 130 2HD1 LEU 16 HD12 LEU 16 -0.558 4.991 0.549 131 3HD1 LEU 16 HD13 LEU 16 0.551 5.487 1.827 132 1HD2 LEU 16 HD21 LEU 16 0.562 3.426 3.004 133 2HD2 LEU 16 HD22 LEU 16 -0.454 2.655 1.785 134 3HD2 LEU 16 HD23 LEU 16 -0.931 2.622 3.481 135 H LYS 17 HN LYS 17 -0.458 5.738 6.976 136 HA LYS 17 HA LYS 17 -2.014 7.931 7.572 137 1HB LYS 17 HB2 LYS 17 -1.489 6.249 9.244 138 2HB LYS 17 HB1 LYS 17 0.208 6.711 9.220 139 1HG LYS 17 HG2 LYS 17 -1.360 9.023 9.780 140 2HG LYS 17 HG1 LYS 17 -1.862 7.717 10.856 141 1HD LYS 17 HD2 LYS 17 0.012 7.883 12.057 142 2HD LYS 17 HD1 LYS 17 1.021 7.840 10.612 143 1HE LYS 17 HE2 LYS 17 0.838 10.186 10.308 144 2HE LYS 17 HE1 LYS 17 -0.447 10.309 11.509 145 1HZ LYS 17 HZ1 LYS 17 1.250 10.919 12.827 146 2HZ LYS 17 HZ2 LYS 17 2.427 10.162 11.877 147 3HZ LYS 17 HZ3 LYS 17 1.511 9.254 12.972 148 H ASN 18 HN ASN 18 1.473 7.739 7.181 149 HA ASN 18 HA ASN 18 1.962 10.484 7.851 150 1HB ASN 18 HB2 ASN 18 3.573 8.276 6.601 151 2HB ASN 18 HB1 ASN 18 4.173 9.931 6.547 152 1HD2 ASN 18 HD21 ASN 18 3.620 10.988 8.894 153 2HD2 ASN 18 HD22 ASN 18 4.345 10.101 10.187 154 H LEU 19 HN LEU 19 1.679 8.641 4.866 155 HA LEU 19 HA LEU 19 2.273 10.438 2.927 156 1HB LEU 19 HB2 LEU 19 1.699 8.515 1.926 157 2HB LEU 19 HB1 LEU 19 0.567 8.094 3.189 158 HG LEU 19 HG LEU 19 -0.386 10.192 1.359 159 1HD1 LEU 19 HD11 LEU 19 -0.427 9.061 -0.580 160 2HD1 LEU 19 HD12 LEU 19 -0.622 7.501 0.207 161 3HD1 LEU 19 HD13 LEU 19 0.974 8.234 0.094 162 1HD2 LEU 19 HD21 LEU 19 -2.258 8.314 1.401 163 2HD2 LEU 19 HD22 LEU 19 -2.060 9.487 2.705 164 3HD2 LEU 19 HD23 LEU 19 -1.396 7.862 2.869 165 H HIS 20 HN HIS 20 -0.887 10.142 4.522 166 HA HIS 20 HA HIS 20 -2.376 11.974 3.172 167 1HB HIS 20 HB2 HIS 20 -2.331 11.653 6.180 168 2HB HIS 20 HB1 HIS 20 -3.662 12.302 5.226 169 HD1 HIS 20 HD1 HIS 20 -2.397 9.268 6.670 170 HD2 HIS 20 HD2 HIS 20 -4.826 10.242 3.470 171 HE1 HIS 20 HE1 HIS 20 -3.617 7.145 6.096 172 HE2 HIS 20 HE2 HIS 20 -5.163 7.789 4.213 173 H LYS 21 HN LYS 21 0.036 12.682 5.651 174 HA LYS 21 HA LYS 21 -0.542 15.526 5.488 175 1HB LYS 21 HB2 LYS 21 1.676 14.293 7.088 176 2HB LYS 21 HB1 LYS 21 0.792 15.784 7.397 177 1HG LYS 21 HG2 LYS 21 -0.435 13.044 7.523 178 2HG LYS 21 HG1 LYS 21 0.226 13.899 8.918 179 1HD LYS 21 HD2 LYS 21 -2.034 14.430 9.031 180 2HD LYS 21 HD1 LYS 21 -1.353 15.822 8.189 181 1HE LYS 21 HE2 LYS 21 -2.315 15.251 6.180 182 2HE LYS 21 HE1 LYS 21 -2.328 13.532 6.562 183 1HZ LYS 21 HZ1 LYS 21 -4.528 14.864 6.549 184 2HZ LYS 21 HZ2 LYS 21 -4.043 15.362 8.091 185 3HZ LYS 21 HZ3 LYS 21 -4.258 13.716 7.764 186 H ASN 22 HN ASN 22 1.134 13.646 3.465 187 HA ASN 22 HA ASN 22 2.908 15.854 2.784 188 1HB ASN 22 HB2 ASN 22 3.958 13.041 3.085 189 2HB ASN 22 HB1 ASN 22 4.881 14.456 2.592 190 1HD2 ASN 22 HD21 ASN 22 2.929 13.184 5.252 191 2HD2 ASN 22 HD22 ASN 22 3.823 13.960 6.510 192 H TRP 23 HN TRP 23 0.544 14.017 1.701 193 HA TRP 23 HA TRP 23 1.723 13.142 -0.783 194 1HB TRP 23 HB2 TRP 23 -0.146 11.914 -1.082 195 2HB TRP 23 HB1 TRP 23 -0.399 12.235 0.625 196 HD1 TRP 23 HD1 TRP 23 -2.663 13.215 1.205 197 HE1 TRP 23 HE1 TRP 23 -4.576 14.345 -0.061 198 HE3 TRP 23 HE3 TRP 23 -0.459 13.497 -3.343 199 HZ2 TRP 23 HZ2 TRP 23 -5.085 15.226 -2.729 200 HZ3 TRP 23 HZ3 TRP 23 -1.696 14.456 -5.205 201 HH2 TRP 23 HH2 TRP 23 -3.971 15.317 -4.919 202 H HIS 24 HN HIS 24 -0.208 15.837 0.355 203 HA HIS 24 HA HIS 24 0.635 17.565 -1.671 204 1HB HIS 24 HB2 HIS 24 -0.729 16.214 -3.173 205 2HB HIS 24 HB1 HIS 24 -2.126 16.415 -2.123 206 HD1 HIS 24 HD1 HIS 24 0.231 18.645 -4.117 207 HD2 HIS 24 HD2 HIS 24 -3.734 18.445 -2.894 208 HE1 HIS 24 HE1 HIS 24 -0.902 20.617 -5.189 209 HE2 HIS 24 HE2 HIS 24 -3.278 20.532 -4.350 210 H GLY 25 HN GLY 25 -2.281 16.807 0.215 211 1HA GLY 25 HA2 GLY 25 -2.056 19.472 1.458 212 2HA GLY 25 HA1 GLY 25 -3.604 18.914 0.835 213 H GLY 26 HN GLY 26 -4.767 17.357 1.961 214 1HA GLY 26 HA2 GLY 26 -3.625 16.528 4.539 215 2HA GLY 26 HA1 GLY 26 -5.262 17.165 4.421 216 H LYS 27 HN LYS 27 -6.222 15.310 5.155 217 HA LYS 27 HA LYS 27 -5.811 12.848 3.648 218 1HB LYS 27 HB2 LYS 27 -5.863 12.828 6.152 219 2HB LYS 27 HB1 LYS 27 -7.568 13.255 6.066 220 1HG LYS 27 HG2 LYS 27 -7.519 11.113 4.428 221 2HG LYS 27 HG1 LYS 27 -6.230 10.690 5.556 222 1HD LYS 27 HD2 LYS 27 -8.665 11.744 6.814 223 2HD LYS 27 HD1 LYS 27 -8.876 10.208 5.973 224 1HE LYS 27 HE2 LYS 27 -6.985 9.276 7.241 225 2HE LYS 27 HE1 LYS 27 -6.827 10.805 8.105 226 1HZ LYS 27 HZ1 LYS 27 -8.263 8.748 8.989 227 2HZ LYS 27 HZ2 LYS 27 -9.465 9.598 8.158 228 3HZ LYS 27 HZ3 LYS 27 -8.595 10.357 9.394 229 H ASP 28 HN ASP 28 -7.952 15.492 3.742 230 HA ASP 28 HA ASP 28 -10.397 14.347 3.091 231 1HB ASP 28 HB2 ASP 28 -9.652 16.859 3.488 232 2HB ASP 28 HB1 ASP 28 -9.583 16.878 1.729 233 H ASN 29 HN ASN 29 -7.859 15.498 0.877 234 HA ASN 29 HA ASN 29 -9.214 14.354 -1.405 235 1HB ASN 29 HB2 ASN 29 -6.392 15.413 -1.385 236 2HB ASN 29 HB1 ASN 29 -7.525 15.353 -2.731 237 1HD2 ASN 29 HD21 ASN 29 -9.778 16.359 -1.326 238 2HD2 ASN 29 HD22 ASN 29 -9.492 18.032 -1.010 239 H LEU 30 HN LEU 30 -6.665 13.470 0.795 240 HA LEU 30 HA LEU 30 -5.551 11.389 -0.808 241 1HB LEU 30 HB2 LEU 30 -4.501 12.562 1.212 242 2HB LEU 30 HB1 LEU 30 -5.517 11.544 2.199 243 HG LEU 30 HG LEU 30 -3.268 10.650 2.077 244 1HD1 LEU 30 HD11 LEU 30 -5.577 9.246 1.731 245 2HD1 LEU 30 HD12 LEU 30 -4.007 8.556 2.100 246 3HD1 LEU 30 HD13 LEU 30 -4.560 8.632 0.432 247 1HD2 LEU 30 HD21 LEU 30 -2.131 11.042 0.185 248 2HD2 LEU 30 HD22 LEU 30 -3.595 11.121 -0.796 249 3HD2 LEU 30 HD23 LEU 30 -2.884 9.555 -0.391 250 H HIS 31 HN HIS 31 -8.196 11.681 1.456 251 HA HIS 31 HA HIS 31 -8.747 9.128 2.212 252 1HB HIS 31 HB2 HIS 31 -10.232 11.567 1.936 253 2HB HIS 31 HB1 HIS 31 -11.241 10.220 1.420 254 HD1 HIS 31 HD1 HIS 31 -11.347 12.039 4.145 255 HD2 HIS 31 HD2 HIS 31 -10.191 8.068 3.734 256 HE1 HIS 31 HE1 HIS 31 -11.669 11.006 6.415 257 HE2 HIS 31 HE2 HIS 31 -11.049 8.582 6.119 258 H ASP 32 HN ASP 32 -9.915 10.622 -0.817 259 HA ASP 32 HA ASP 32 -11.084 8.285 -1.841 260 1HB ASP 32 HB2 ASP 32 -10.640 10.965 -2.725 261 2HB ASP 32 HB1 ASP 32 -10.141 9.871 -4.012 262 H VAL 33 HN VAL 33 -7.808 9.215 -1.577 263 HA VAL 33 HA VAL 33 -6.909 7.370 -3.634 264 HB VAL 33 HB VAL 33 -5.724 9.593 -2.137 265 1HG1 VAL 33 HG11 VAL 33 -3.398 8.802 -2.453 266 2HG1 VAL 33 HG12 VAL 33 -4.035 7.199 -2.820 267 3HG1 VAL 33 HG13 VAL 33 -4.277 7.896 -1.222 268 1HG2 VAL 33 HG21 VAL 33 -6.283 9.662 -4.508 269 2HG2 VAL 33 HG22 VAL 33 -5.132 8.358 -4.808 270 3HG2 VAL 33 HG23 VAL 33 -4.559 9.929 -4.235 271 H ASP 34 HN ASP 34 -6.195 7.827 -0.142 272 HA ASP 34 HA ASP 34 -5.038 5.270 0.130 273 1HB ASP 34 HB2 ASP 34 -4.410 6.673 1.862 274 2HB ASP 34 HB1 ASP 34 -6.038 7.320 2.070 275 H ASN 35 HN ASN 35 -8.343 6.369 0.067 276 HA ASN 35 HA ASN 35 -9.611 4.262 1.405 277 1HB ASN 35 HB2 ASN 35 -10.920 6.153 0.634 278 2HB ASN 35 HB1 ASN 35 -10.493 5.824 -1.042 279 1HD2 ASN 35 HD21 ASN 35 -12.915 5.623 1.089 280 2HD2 ASN 35 HD22 ASN 35 -13.792 4.280 0.442 281 H HIS 36 HN HIS 36 -8.243 4.568 -1.794 282 HA HIS 36 HA HIS 36 -9.059 2.045 -2.809 283 1HB HIS 36 HB2 HIS 36 -7.419 4.273 -3.665 284 2HB HIS 36 HB1 HIS 36 -6.585 2.755 -3.983 285 HD1 HIS 36 HD1 HIS 36 -9.335 1.190 -4.596 286 HD2 HIS 36 HD2 HIS 36 -8.001 4.712 -6.352 287 HE1 HIS 36 HE1 HIS 36 -10.512 1.323 -6.814 288 HE2 HIS 36 HE2 HIS 36 -9.758 3.507 -7.818 289 H LEU 37 HN LEU 37 -6.102 3.292 -1.305 290 HA LEU 37 HA LEU 37 -4.580 0.969 -1.221 291 1HB LEU 37 HB2 LEU 37 -4.009 3.376 -0.475 292 2HB LEU 37 HB1 LEU 37 -4.667 2.906 1.073 293 HG LEU 37 HG LEU 37 -2.521 2.415 1.521 294 1HD1 LEU 37 HD11 LEU 37 -3.564 0.240 1.612 295 2HD1 LEU 37 HD12 LEU 37 -1.901 0.086 1.043 296 3HD1 LEU 37 HD13 LEU 37 -3.238 -0.017 -0.102 297 1HD2 LEU 37 HD21 LEU 37 -2.235 2.361 -1.431 298 2HD2 LEU 37 HD22 LEU 37 -1.004 1.546 -0.464 299 3HD2 LEU 37 HD23 LEU 37 -1.323 3.264 -0.220 300 H GLN 38 HN GLN 38 -6.378 2.249 1.572 301 HA GLN 38 HA GLN 38 -6.242 0.099 3.240 302 1HB GLN 38 HB2 GLN 38 -7.395 2.447 3.493 303 2HB GLN 38 HB1 GLN 38 -8.846 1.560 3.047 304 1HG GLN 38 HG2 GLN 38 -8.562 0.076 4.932 305 2HG GLN 38 HG1 GLN 38 -7.041 0.862 5.354 306 1HE2 GLN 38 HE21 GLN 38 -7.519 1.709 7.289 307 2HE2 GLN 38 HE22 GLN 38 -8.782 2.852 7.581 308 H ASN 39 HN ASN 39 -8.614 0.612 0.662 309 HA ASN 39 HA ASN 39 -10.174 -1.680 1.190 310 1HB ASN 39 HB2 ASN 39 -10.878 0.228 -0.265 311 2HB ASN 39 HB1 ASN 39 -9.745 -0.338 -1.489 312 1HD2 ASN 39 HD21 ASN 39 -11.601 -0.499 -2.867 313 2HD2 ASN 39 HD22 ASN 39 -12.623 -1.889 -2.779 314 H VAL 40 HN VAL 40 -7.104 -1.260 -0.340 315 HA VAL 40 HA VAL 40 -7.094 -3.666 -1.860 316 HB VAL 40 HB VAL 40 -4.732 -2.115 -0.783 317 1HG1 VAL 40 HG11 VAL 40 -4.867 -4.583 -2.154 318 2HG1 VAL 40 HG12 VAL 40 -3.438 -3.641 -1.731 319 3HG1 VAL 40 HG13 VAL 40 -4.235 -3.384 -3.283 320 1HG2 VAL 40 HG21 VAL 40 -4.978 -1.572 -3.481 321 2HG2 VAL 40 HG22 VAL 40 -5.405 -0.494 -2.155 322 3HG2 VAL 40 HG23 VAL 40 -6.638 -1.518 -2.888 323 H ILE 41 HN ILE 41 -5.509 -2.787 1.212 324 HA ILE 41 HA ILE 41 -4.346 -5.142 1.894 325 HB ILE 41 HB ILE 41 -4.572 -2.856 3.190 326 1HG1 ILE 41 HG12 ILE 41 -4.131 -4.722 5.278 327 2HG1 ILE 41 HG11 ILE 41 -3.561 -5.465 3.788 328 1HG2 ILE 41 HG21 ILE 41 -6.991 -3.372 3.752 329 2HG2 ILE 41 HG22 ILE 41 -5.961 -2.864 5.090 330 3HG2 ILE 41 HG23 ILE 41 -6.365 -4.568 4.887 331 1HD1 ILE 41 HD11 ILE 41 -1.866 -4.148 5.090 332 2HD1 ILE 41 HD12 ILE 41 -2.762 -2.700 4.631 333 3HD1 ILE 41 HD13 ILE 41 -2.033 -3.718 3.388 334 H GLU 42 HN GLU 42 -7.782 -4.366 2.257 335 HA GLU 42 HA GLU 42 -8.422 -6.785 3.634 336 1HB GLU 42 HB2 GLU 42 -10.726 -6.153 3.342 337 2HB GLU 42 HB1 GLU 42 -9.810 -4.703 3.726 338 1HG GLU 42 HG2 GLU 42 -10.139 -3.778 1.686 339 2HG GLU 42 HG1 GLU 42 -10.220 -5.333 0.862 340 H ASP 43 HN ASP 43 -8.220 -5.836 0.286 341 HA ASP 43 HA ASP 43 -9.472 -8.250 -0.661 342 1HB ASP 43 HB2 ASP 43 -8.340 -5.805 -1.874 343 2HB ASP 43 HB1 ASP 43 -8.149 -7.268 -2.837 344 H ILE 44 HN ILE 44 -6.294 -7.157 0.163 345 HA ILE 44 HA ILE 44 -5.005 -9.422 -1.120 346 HB ILE 44 HB ILE 44 -3.758 -7.405 0.752 347 1HG1 ILE 44 HG12 ILE 44 -4.024 -7.356 -2.263 348 2HG1 ILE 44 HG11 ILE 44 -4.745 -6.223 -1.129 349 1HG2 ILE 44 HG21 ILE 44 -2.349 -9.289 0.539 350 2HG2 ILE 44 HG22 ILE 44 -1.697 -8.067 -0.555 351 3HG2 ILE 44 HG23 ILE 44 -2.647 -9.408 -1.196 352 1HD1 ILE 44 HD11 ILE 44 -2.692 -5.444 -2.365 353 2HD1 ILE 44 HD12 ILE 44 -1.781 -6.582 -1.373 354 3HD1 ILE 44 HD13 ILE 44 -2.668 -5.261 -0.611 355 H HIS 45 HN HIS 45 -6.260 -8.475 1.967 356 HA HIS 45 HA HIS 45 -4.871 -10.474 3.493 357 1HB HIS 45 HB2 HIS 45 -7.125 -8.573 4.083 358 2HB HIS 45 HB1 HIS 45 -6.673 -9.833 5.230 359 HD1 HIS 45 HD1 HIS 45 -5.974 -7.837 6.852 360 HD2 HIS 45 HD2 HIS 45 -3.730 -8.259 3.383 361 HE1 HIS 45 HE1 HIS 45 -3.882 -6.496 7.247 362 HE2 HIS 45 HE2 HIS 45 -2.605 -6.651 5.082 363 H ASP 46 HN ASP 46 -8.301 -10.027 2.584 364 HA ASP 46 HA ASP 46 -9.104 -12.590 3.441 365 1HB ASP 46 HB2 ASP 46 -10.257 -10.439 1.756 366 2HB ASP 46 HB1 ASP 46 -10.895 -12.056 1.477 367 H PHE 47 HN PHE 47 -7.466 -11.429 0.633 368 HA PHE 47 HA PHE 47 -7.926 -13.923 -0.820 369 1HB PHE 47 HB2 PHE 47 -6.478 -11.380 -1.535 370 2HB PHE 47 HB1 PHE 47 -6.389 -12.824 -2.535 371 HD1 PHE 47 HD1 PHE 47 -9.241 -11.252 -0.705 372 HD2 PHE 47 HD2 PHE 47 -7.624 -12.463 -4.450 373 HE1 PHE 47 HE1 PHE 47 -11.346 -10.634 -1.810 374 HE2 PHE 47 HE2 PHE 47 -9.724 -11.840 -5.562 375 HZ PHE 47 HZ PHE 47 -11.590 -10.924 -4.243 376 H MET 48 HN MET 48 -5.509 -12.393 1.144 377 HA MET 48 HA MET 48 -3.184 -13.702 0.462 378 1HB MET 48 HB2 MET 48 -4.106 -12.176 2.645 379 2HB MET 48 HB1 MET 48 -3.452 -13.654 3.334 380 1HG MET 48 HG2 MET 48 -1.331 -13.278 2.292 381 2HG MET 48 HG1 MET 48 -1.967 -11.902 1.394 382 1HE MET 48 HE1 MET 48 0.106 -10.612 2.150 383 2HE MET 48 HE2 MET 48 -0.082 -9.500 3.506 384 3HE MET 48 HE3 MET 48 -1.271 -9.510 2.202 385 H GLN 49 HN GLN 49 -6.017 -14.951 2.041 386 HA GLN 49 HA GLN 49 -4.772 -17.374 2.949 387 1HB GLN 49 HB2 GLN 49 -7.328 -16.053 3.254 388 2HB GLN 49 HB1 GLN 49 -7.553 -17.757 2.874 389 1HG GLN 49 HG2 GLN 49 -5.623 -17.906 4.765 390 2HG GLN 49 HG1 GLN 49 -6.512 -16.480 5.299 391 1HE2 GLN 49 HE21 GLN 49 -7.389 -17.422 7.099 392 2HE2 GLN 49 HE22 GLN 49 -8.578 -18.672 7.031 393 H GLY 50 HN GLY 50 -6.475 -16.312 0.100 394 1HA GLY 50 HA2 GLY 50 -5.762 -17.721 -1.881 395 2HA GLY 50 HA1 GLY 50 -6.380 -19.072 -0.944 396 H GLY 51 HN GLY 51 -8.451 -16.714 -0.147 397 1HA GLY 51 HA2 GLY 51 -10.660 -17.707 -1.443 398 2HA GLY 51 HA1 GLY 51 -10.534 -16.051 -0.870 399 H GLY 52 HN GLY 52 -8.279 -15.476 -2.668 400 1HA GLY 52 HA2 GLY 52 -9.318 -15.814 -5.348 401 2HA GLY 52 HA1 GLY 52 -9.428 -14.174 -4.728 402 H SER 53 HN SER 53 -6.797 -16.167 -3.691 403 HA SER 53 HA SER 53 -4.832 -14.365 -4.521 404 1HB SER 53 HB2 SER 53 -3.269 -15.881 -3.655 405 2HB SER 53 HB1 SER 53 -4.727 -16.260 -2.738 406 HG SER 53 HG SER 53 -5.080 -18.013 -4.116 407 H GLY 54 HN GLY 54 -2.995 -14.926 -6.006 408 1HA GLY 54 HA2 GLY 54 -2.204 -15.441 -8.105 409 2HA GLY 54 HA1 GLY 54 -3.354 -16.771 -8.130 410 H GLY 55 HN GLY 55 -3.714 -13.235 -8.015 411 1HA GLY 55 HA2 GLY 55 -4.410 -12.647 -10.569 412 2HA GLY 55 HA1 GLY 55 -5.885 -13.343 -9.911 413 H LYS 56 HN LYS 56 -5.130 -12.225 -7.199 414 HA LYS 56 HA LYS 56 -6.411 -9.659 -7.596 415 1HB LYS 56 HB2 LYS 56 -6.451 -9.559 -5.127 416 2HB LYS 56 HB1 LYS 56 -7.167 -11.037 -5.752 417 1HG LYS 56 HG2 LYS 56 -5.899 -12.038 -4.205 418 2HG LYS 56 HG1 LYS 56 -4.600 -11.826 -5.375 419 1HD LYS 56 HD2 LYS 56 -3.871 -9.815 -4.286 420 2HD LYS 56 HD1 LYS 56 -5.275 -9.832 -3.219 421 1HE LYS 56 HE2 LYS 56 -4.118 -11.033 -1.753 422 2HE LYS 56 HE1 LYS 56 -4.003 -12.334 -2.937 423 1HZ LYS 56 HZ1 LYS 56 -1.894 -11.790 -3.463 424 2HZ LYS 56 HZ2 LYS 56 -1.887 -11.129 -1.907 425 3HZ LYS 56 HZ3 LYS 56 -2.130 -10.129 -3.249 426 H LEU 57 HN LEU 57 -3.302 -10.858 -6.386 427 HA LEU 57 HA LEU 57 -2.289 -8.337 -5.659 428 1HB LEU 57 HB2 LEU 57 -1.431 -10.667 -5.035 429 2HB LEU 57 HB1 LEU 57 -0.574 -10.621 -6.562 430 HG LEU 57 HG LEU 57 0.556 -8.527 -5.794 431 1HD1 LEU 57 HD11 LEU 57 0.150 -7.555 -3.813 432 2HD1 LEU 57 HD12 LEU 57 -0.062 -9.096 -2.982 433 3HD1 LEU 57 HD13 LEU 57 -1.392 -8.405 -3.913 434 1HD2 LEU 57 HD21 LEU 57 1.213 -11.110 -5.351 435 2HD2 LEU 57 HD22 LEU 57 1.229 -10.479 -3.703 436 3HD2 LEU 57 HD23 LEU 57 2.245 -9.740 -4.940 437 H GLN 58 HN GLN 58 -2.929 -9.527 -8.760 438 HA GLN 58 HA GLN 58 -0.733 -8.088 -9.983 439 1HB GLN 58 HB2 GLN 58 -1.875 -8.767 -12.149 440 2HB GLN 58 HB1 GLN 58 -1.268 -10.075 -11.144 441 1HG GLN 58 HG2 GLN 58 -3.454 -10.611 -10.385 442 2HG GLN 58 HG1 GLN 58 -4.131 -9.164 -11.130 443 1HE2 GLN 58 HE21 GLN 58 -4.007 -9.027 -13.484 444 2HE2 GLN 58 HE22 GLN 58 -4.140 -10.481 -14.409 445 H GLU 59 HN GLU 59 -4.278 -7.839 -9.935 446 HA GLU 59 HA GLU 59 -4.141 -5.214 -11.167 447 1HB GLU 59 HB2 GLU 59 -6.397 -7.022 -10.332 448 2HB GLU 59 HB1 GLU 59 -6.691 -5.346 -10.776 449 1HG GLU 59 HG2 GLU 59 -6.153 -5.689 -12.981 450 2HG GLU 59 HG1 GLU 59 -5.144 -7.089 -12.628 451 H MET 60 HN MET 60 -4.653 -6.664 -8.034 452 HA MET 60 HA MET 60 -5.552 -4.232 -6.800 453 1HB MET 60 HB2 MET 60 -5.955 -6.729 -6.086 454 2HB MET 60 HB1 MET 60 -4.439 -6.515 -5.223 455 1HG MET 60 HG2 MET 60 -5.819 -5.864 -3.573 456 2HG MET 60 HG1 MET 60 -5.709 -4.314 -4.407 457 1HE MET 60 HE1 MET 60 -7.198 -3.420 -5.986 458 2HE MET 60 HE2 MET 60 -8.948 -3.639 -5.964 459 3HE MET 60 HE3 MET 60 -7.945 -4.649 -7.006 460 H MET 61 HN MET 61 -2.458 -5.783 -7.368 461 HA MET 61 HA MET 61 -0.963 -4.486 -5.374 462 1HB MET 61 HB2 MET 61 0.154 -6.212 -6.496 463 2HB MET 61 HB1 MET 61 -0.241 -5.569 -8.084 464 1HG MET 61 HG2 MET 61 1.359 -3.705 -6.565 465 2HG MET 61 HG1 MET 61 2.140 -5.279 -6.679 466 1HE MET 61 HE1 MET 61 4.278 -4.548 -9.076 467 2HE MET 61 HE2 MET 61 3.881 -3.892 -7.488 468 3HE MET 61 HE3 MET 61 3.858 -2.843 -8.906 469 H LYS 62 HN LYS 62 -1.886 -3.469 -8.632 470 HA LYS 62 HA LYS 62 -0.418 -1.029 -8.573 471 1HB LYS 62 HB2 LYS 62 -1.164 -2.188 -10.655 472 2HB LYS 62 HB1 LYS 62 -2.817 -1.724 -10.274 473 1HG LYS 62 HG2 LYS 62 -2.150 0.644 -10.383 474 2HG LYS 62 HG1 LYS 62 -0.522 0.140 -10.840 475 1HD LYS 62 HD2 LYS 62 -1.145 -0.432 -12.946 476 2HD LYS 62 HD1 LYS 62 -2.749 -0.965 -12.441 477 1HE LYS 62 HE2 LYS 62 -2.028 1.937 -12.370 478 2HE LYS 62 HE1 LYS 62 -2.507 1.179 -13.887 479 1HZ LYS 62 HZ1 LYS 62 -4.512 0.357 -12.530 480 2HZ LYS 62 HZ2 LYS 62 -4.489 1.970 -13.039 481 3HZ LYS 62 HZ3 LYS 62 -4.098 1.584 -11.439 482 H GLU 63 HN GLU 63 -3.329 -2.025 -7.111 483 HA GLU 63 HA GLU 63 -4.558 0.578 -7.043 484 1HB GLU 63 HB2 GLU 63 -5.821 -1.605 -7.017 485 2HB GLU 63 HB1 GLU 63 -5.264 -1.828 -5.365 486 1HG GLU 63 HG2 GLU 63 -6.884 -0.543 -4.583 487 2HG GLU 63 HG1 GLU 63 -6.421 0.775 -5.658 488 H PHE 64 HN PHE 64 -2.335 -1.220 -5.057 489 HA PHE 64 HA PHE 64 -2.742 0.531 -2.778 490 1HB PHE 64 HB2 PHE 64 -1.306 -0.901 -1.561 491 2HB PHE 64 HB1 PHE 64 -2.196 -1.985 -2.623 492 HD1 PHE 64 HD1 PHE 64 -1.029 -3.613 -3.684 493 HD2 PHE 64 HD2 PHE 64 0.995 -0.020 -2.633 494 HE1 PHE 64 HE1 PHE 64 1.074 -4.550 -4.541 495 HE2 PHE 64 HE2 PHE 64 3.101 -0.953 -3.491 496 HZ PHE 64 HZ PHE 64 3.139 -3.218 -4.448 497 H GLN 65 HN GLN 65 -0.503 0.051 -5.405 498 HA GLN 65 HA GLN 65 1.431 1.937 -4.419 499 1HB GLN 65 HB2 GLN 65 1.780 -0.087 -6.030 500 2HB GLN 65 HB1 GLN 65 1.271 1.043 -7.278 501 1HG GLN 65 HG2 GLN 65 3.099 2.579 -6.246 502 2HG GLN 65 HG1 GLN 65 3.725 1.069 -5.585 503 1HE2 GLN 65 HE21 GLN 65 4.934 -0.188 -6.846 504 2HE2 GLN 65 HE22 GLN 65 5.185 0.044 -8.540 505 H GLN 66 HN GLN 66 -1.266 1.963 -6.683 506 HA GLN 66 HA GLN 66 -0.815 4.371 -7.986 507 1HB GLN 66 HB2 GLN 66 -2.614 2.850 -8.627 508 2HB GLN 66 HB1 GLN 66 -3.455 3.177 -7.118 509 1HG GLN 66 HG2 GLN 66 -4.464 4.389 -8.956 510 2HG GLN 66 HG1 GLN 66 -3.760 5.502 -7.783 511 1HE2 GLN 66 HE21 GLN 66 -3.807 7.068 -9.489 512 2HE2 GLN 66 HE22 GLN 66 -2.556 7.090 -10.680 513 H VAL 67 HN VAL 67 -2.039 3.736 -4.774 514 HA VAL 67 HA VAL 67 -3.072 6.268 -4.143 515 HB VAL 67 HB VAL 67 -1.759 4.184 -2.381 516 1HG1 VAL 67 HG11 VAL 67 -3.696 5.972 -1.123 517 2HG1 VAL 67 HG12 VAL 67 -2.211 6.776 -1.627 518 3HG1 VAL 67 HG13 VAL 67 -2.138 5.393 -0.537 519 1HG2 VAL 67 HG21 VAL 67 -3.628 3.035 -2.676 520 2HG2 VAL 67 HG22 VAL 67 -4.273 4.305 -3.716 521 3HG2 VAL 67 HG23 VAL 67 -4.545 4.367 -1.976 522 H LEU 68 HN LEU 68 0.193 4.958 -3.994 523 HA LEU 68 HA LEU 68 1.351 7.316 -2.809 524 1HB LEU 68 HB2 LEU 68 2.273 4.688 -3.770 525 2HB LEU 68 HB1 LEU 68 3.443 5.991 -3.885 526 HG LEU 68 HG LEU 68 2.523 6.369 -1.356 527 1HD1 LEU 68 HD11 LEU 68 1.423 4.596 -0.600 528 2HD1 LEU 68 HD12 LEU 68 2.901 3.654 -0.794 529 3HD1 LEU 68 HD13 LEU 68 1.714 3.708 -2.096 530 1HD2 LEU 68 HD21 LEU 68 4.877 5.355 -2.657 531 2HD2 LEU 68 HD22 LEU 68 4.627 4.512 -1.129 532 3HD2 LEU 68 HD23 LEU 68 4.738 6.271 -1.158 533 H ASP 69 HN ASP 69 0.128 6.662 -5.846 534 HA ASP 69 HA ASP 69 2.070 8.035 -7.453 535 1HB ASP 69 HB2 ASP 69 0.103 6.308 -8.083 536 2HB ASP 69 HB1 ASP 69 -0.754 7.820 -8.369 537 H GLU 70 HN GLU 70 -1.250 8.793 -6.381 538 HA GLU 70 HA GLU 70 -1.359 11.471 -7.172 539 1HB GLU 70 HB2 GLU 70 -3.118 9.855 -5.980 540 2HB GLU 70 HB1 GLU 70 -2.518 10.651 -4.527 541 1HG GLU 70 HG2 GLU 70 -4.286 11.975 -5.019 542 2HG GLU 70 HG1 GLU 70 -3.013 12.824 -5.895 543 H LEU 71 HN LEU 71 -0.065 9.889 -4.390 544 HA LEU 71 HA LEU 71 0.641 12.169 -2.870 545 1HB LEU 71 HB2 LEU 71 0.241 10.199 -1.718 546 2HB LEU 71 HB1 LEU 71 1.193 9.243 -2.826 547 HG LEU 71 HG LEU 71 3.060 10.935 -1.690 548 1HD1 LEU 71 HD11 LEU 71 0.784 10.716 0.059 549 2HD1 LEU 71 HD12 LEU 71 2.254 11.666 0.249 550 3HD1 LEU 71 HD13 LEU 71 2.211 9.987 0.787 551 1HD2 LEU 71 HD21 LEU 71 3.633 8.725 -2.089 552 2HD2 LEU 71 HD22 LEU 71 2.205 8.107 -1.269 553 3HD2 LEU 71 HD23 LEU 71 3.530 8.782 -0.329 554 H ASN 72 HN ASN 72 2.798 9.726 -4.315 555 HA ASN 72 HA ASN 72 5.159 11.118 -4.077 556 1HB ASN 72 HB2 ASN 72 4.880 8.718 -4.789 557 2HB ASN 72 HB1 ASN 72 4.496 9.310 -6.403 558 1HD2 ASN 72 HD21 ASN 72 6.219 8.573 -7.501 559 2HD2 ASN 72 HD22 ASN 72 7.852 9.036 -7.184 560 H ASN 73 HN ASN 73 2.602 11.614 -6.366 561 HA ASN 73 HA ASN 73 4.248 13.267 -8.093 562 1HB ASN 73 HB2 ASN 73 2.275 11.709 -8.796 563 2HB ASN 73 HB1 ASN 73 1.263 13.066 -8.312 564 1HD2 ASN 73 HD21 ASN 73 1.318 12.109 -10.900 565 2HD2 ASN 73 HD22 ASN 73 2.024 13.302 -11.931 566 H HIS 74 HN HIS 74 3.186 13.845 -5.144 567 HA HIS 74 HA HIS 74 2.980 16.693 -5.598 568 1HB HIS 74 HB2 HIS 74 0.665 15.070 -4.580 569 2HB HIS 74 HB1 HIS 74 0.864 16.760 -4.123 570 HD1 HIS 74 HD1 HIS 74 0.979 18.469 -6.242 571 HD2 HIS 74 HD2 HIS 74 -0.610 14.694 -6.947 572 HE1 HIS 74 HE1 HIS 74 -0.303 18.671 -8.395 573 HE2 HIS 74 HE2 HIS 74 -1.175 16.351 -8.851 574 H LEU 75 HN LEU 75 4.844 14.919 -4.256 575 HA LEU 75 HA LEU 75 4.625 14.877 -1.475 576 1HB LEU 75 HB2 LEU 75 6.714 14.616 -3.442 577 2HB LEU 75 HB1 LEU 75 7.293 15.595 -2.111 578 HG LEU 75 HG LEU 75 7.929 13.465 -1.492 579 1HD1 LEU 75 HD11 LEU 75 5.225 13.418 -0.223 580 2HD1 LEU 75 HD12 LEU 75 6.389 14.680 0.181 581 3HD1 LEU 75 HD13 LEU 75 6.791 12.986 0.464 582 1HD2 LEU 75 HD21 LEU 75 6.614 12.403 -3.354 583 2HD2 LEU 75 HD22 LEU 75 5.253 12.331 -2.235 584 3HD2 LEU 75 HD23 LEU 75 6.745 11.466 -1.868 585 H GLN 76 HN GLN 76 3.558 16.777 -0.830 586 HA GLN 76 HA GLN 76 4.455 19.362 -1.490 587 1HB GLN 76 HB2 GLN 76 2.304 18.216 -0.006 588 2HB GLN 76 HB1 GLN 76 3.052 19.451 0.994 589 1HG GLN 76 HG2 GLN 76 1.788 19.751 -1.708 590 2HG GLN 76 HG1 GLN 76 1.351 20.538 -0.193 591 1HE2 GLN 76 HE21 GLN 76 1.815 21.873 -2.626 592 2HE2 GLN 76 HE22 GLN 76 3.199 22.887 -2.427 593 H GLY 77 HN GLY 77 6.783 18.821 -1.019 594 1HA GLY 77 HA2 GLY 77 8.671 19.209 0.227 595 2HA GLY 77 HA1 GLY 77 7.661 20.221 1.250 596 H GLY 78 HN GLY 78 6.771 16.904 0.875 597 1HA GLY 78 HA2 GLY 78 7.877 16.340 3.558 598 2HA GLY 78 HA1 GLY 78 6.280 15.805 3.055 599 H LYS 79 HN LYS 79 9.257 15.748 1.160 600 HA LYS 79 HA LYS 79 8.934 13.261 0.050 601 1HB LYS 79 HB2 LYS 79 11.243 15.043 0.544 602 2HB LYS 79 HB1 LYS 79 11.630 13.365 0.190 603 1HG LYS 79 HG2 LYS 79 9.662 14.317 -1.662 604 2HG LYS 79 HG1 LYS 79 11.037 15.418 -1.623 605 1HD LYS 79 HD2 LYS 79 11.342 13.664 -3.302 606 2HD LYS 79 HD1 LYS 79 12.557 13.552 -2.027 607 1HE LYS 79 HE2 LYS 79 11.706 11.603 -1.199 608 2HE LYS 79 HE1 LYS 79 10.058 11.985 -1.696 609 1HZ LYS 79 HZ1 LYS 79 12.213 11.275 -3.606 610 2HZ LYS 79 HZ2 LYS 79 10.556 11.398 -3.923 611 3HZ LYS 79 HZ3 LYS 79 11.140 10.142 -2.951 612 H HIS 80 HN HIS 80 10.466 14.061 3.120 613 HA HIS 80 HA HIS 80 11.568 11.594 3.742 614 1HB HIS 80 HB2 HIS 80 10.735 13.978 5.266 615 2HB HIS 80 HB1 HIS 80 10.816 12.490 6.203 616 HD1 HIS 80 HD1 HIS 80 12.777 14.610 6.947 617 HD2 HIS 80 HD2 HIS 80 13.569 11.794 3.998 618 HE1 HIS 80 HE1 HIS 80 15.283 14.509 6.770 619 HE2 HIS 80 HE2 HIS 80 15.741 12.733 5.042 620 H THR 81 HN THR 81 8.239 12.670 4.016 621 HA THR 81 HA THR 81 7.335 10.499 5.606 622 HB THR 81 HB THR 81 6.047 12.590 3.906 623 HG1 THR 81 HG1 THR 81 5.762 11.743 6.594 624 1HG2 THR 81 HG21 THR 81 4.777 10.009 4.577 625 2HG2 THR 81 HG22 THR 81 4.433 11.155 3.272 626 3HG2 THR 81 HG23 THR 81 3.841 11.473 4.906 627 H VAL 82 HN VAL 82 6.432 11.140 2.254 628 HA VAL 82 HA VAL 82 5.655 8.575 1.582 629 HB VAL 82 HB VAL 82 6.997 10.525 -0.294 630 1HG1 VAL 82 HG11 VAL 82 5.329 9.396 -1.902 631 2HG1 VAL 82 HG12 VAL 82 5.243 8.120 -0.689 632 3HG1 VAL 82 HG13 VAL 82 6.786 8.509 -1.452 633 1HG2 VAL 82 HG21 VAL 82 5.262 11.707 0.816 634 2HG2 VAL 82 HG22 VAL 82 4.157 10.345 0.672 635 3HG2 VAL 82 HG23 VAL 82 4.638 11.244 -0.765 636 H HIS 83 HN HIS 83 8.925 10.007 1.424 637 HA HIS 83 HA HIS 83 10.230 8.003 0.043 638 1HB HIS 83 HB2 HIS 83 11.310 10.100 0.829 639 2HB HIS 83 HB1 HIS 83 11.300 9.469 2.472 640 HD1 HIS 83 HD1 HIS 83 13.162 7.883 3.118 641 HD2 HIS 83 HD2 HIS 83 13.116 8.768 -0.942 642 HE1 HIS 83 HE1 HIS 83 15.307 6.944 2.201 643 HE2 HIS 83 HE2 HIS 83 15.302 7.577 -0.237 644 H HIS 84 HN HIS 84 9.279 8.136 3.427 645 HA HIS 84 HA HIS 84 10.419 5.583 4.076 646 1HB HIS 84 HB2 HIS 84 9.564 7.742 5.555 647 2HB HIS 84 HB1 HIS 84 8.290 6.562 5.839 648 HD1 HIS 84 HD1 HIS 84 11.954 7.137 6.402 649 HD2 HIS 84 HD2 HIS 84 9.007 4.391 7.423 650 HE1 HIS 84 HE1 HIS 84 12.979 5.680 8.177 651 HE2 HIS 84 HE2 HIS 84 11.156 4.067 8.825 652 H ILE 85 HN ILE 85 7.362 6.756 2.885 653 HA ILE 85 HA ILE 85 6.025 4.253 3.443 654 HB ILE 85 HB ILE 85 4.079 5.312 3.191 655 1HG1 ILE 85 HG12 ILE 85 4.800 7.075 0.908 656 2HG1 ILE 85 HG11 ILE 85 4.569 5.356 0.624 657 1HG2 ILE 85 HG21 ILE 85 4.146 7.809 3.260 658 2HG2 ILE 85 HG22 ILE 85 5.894 7.656 3.154 659 3HG2 ILE 85 HG23 ILE 85 5.037 6.948 4.515 660 1HD1 ILE 85 HD11 ILE 85 2.339 5.470 0.896 661 2HD1 ILE 85 HD12 ILE 85 2.590 7.169 0.500 662 3HD1 ILE 85 HD13 ILE 85 2.450 6.667 2.184 663 H GLU 86 HN GLU 86 7.527 5.836 0.711 664 HA GLU 86 HA GLU 86 6.544 3.957 -1.225 665 1HB GLU 86 HB2 GLU 86 8.411 4.957 -2.655 666 2HB GLU 86 HB1 GLU 86 7.144 6.052 -2.132 667 1HG GLU 86 HG2 GLU 86 8.603 7.375 -1.150 668 2HG GLU 86 HG1 GLU 86 9.269 6.037 -0.218 669 H GLN 87 HN GLN 87 9.611 4.405 0.536 670 HA GLN 87 HA GLN 87 10.972 2.218 -0.578 671 1HB GLN 87 HB2 GLN 87 11.274 3.953 1.765 672 2HB GLN 87 HB1 GLN 87 11.853 2.318 2.045 673 1HG GLN 87 HG2 GLN 87 13.676 3.658 1.297 674 2HG GLN 87 HG1 GLN 87 13.258 2.519 0.018 675 1HE2 GLN 87 HE21 GLN 87 12.225 3.285 -1.848 676 2HE2 GLN 87 HE22 GLN 87 12.280 4.954 -2.289 677 H ASN 88 HN ASN 88 8.513 2.505 1.844 678 HA ASN 88 HA ASN 88 8.733 -0.224 2.756 679 1HB ASN 88 HB2 ASN 88 7.149 2.174 3.475 680 2HB ASN 88 HB1 ASN 88 6.342 0.627 3.723 681 1HD2 ASN 88 HD21 ASN 88 9.294 2.416 4.445 682 2HD2 ASN 88 HD22 ASN 88 9.607 1.641 5.957 683 H ILE 89 HN ILE 89 5.984 1.598 1.385 684 HA ILE 89 HA ILE 89 4.448 -0.558 0.655 685 HB ILE 89 HB ILE 89 4.406 2.252 0.083 686 1HG1 ILE 89 HG12 ILE 89 1.988 0.791 -0.524 687 2HG1 ILE 89 HG11 ILE 89 2.734 0.206 0.962 688 1HG2 ILE 89 HG21 ILE 89 3.224 2.191 -2.084 689 2HG2 ILE 89 HG22 ILE 89 3.642 0.486 -2.242 690 3HG2 ILE 89 HG23 ILE 89 4.915 1.709 -2.225 691 1HD1 ILE 89 HD11 ILE 89 2.839 2.983 1.161 692 2HD1 ILE 89 HD12 ILE 89 1.742 1.893 2.007 693 3HD1 ILE 89 HD13 ILE 89 1.250 2.632 0.483 694 H LYS 90 HN LYS 90 6.931 1.062 -1.307 695 HA LYS 90 HA LYS 90 6.493 -0.525 -3.576 696 1HB LYS 90 HB2 LYS 90 9.073 0.800 -2.700 697 2HB LYS 90 HB1 LYS 90 8.742 0.180 -4.312 698 1HG LYS 90 HG2 LYS 90 6.804 2.138 -3.266 699 2HG LYS 90 HG1 LYS 90 8.425 2.748 -3.608 700 1HD LYS 90 HD2 LYS 90 6.782 1.152 -5.567 701 2HD LYS 90 HD1 LYS 90 6.816 2.916 -5.521 702 1HE LYS 90 HE2 LYS 90 9.498 1.964 -5.522 703 2HE LYS 90 HE1 LYS 90 8.618 1.140 -6.809 704 1HZ LYS 90 HZ1 LYS 90 8.373 3.033 -7.974 705 2HZ LYS 90 HZ2 LYS 90 9.728 3.534 -7.094 706 3HZ LYS 90 HZ3 LYS 90 8.180 4.004 -6.601 707 H GLU 91 HN GLU 91 8.241 -1.048 -0.630 708 HA GLU 91 HA GLU 91 9.449 -3.511 -1.613 709 1HB GLU 91 HB2 GLU 91 10.623 -1.858 -0.049 710 2HB GLU 91 HB1 GLU 91 9.554 -2.460 1.212 711 1HG GLU 91 HG2 GLU 91 10.425 -4.765 0.678 712 2HG GLU 91 HG1 GLU 91 11.649 -3.974 -0.315 713 H ILE 92 HN ILE 92 6.487 -2.603 -0.521 714 HA ILE 92 HA ILE 92 5.908 -4.785 1.235 715 HB ILE 92 HB ILE 92 4.494 -2.414 0.265 716 1HG1 ILE 92 HG12 ILE 92 3.692 -2.341 2.520 717 2HG1 ILE 92 HG11 ILE 92 4.097 -4.034 2.780 718 1HG2 ILE 92 HG21 ILE 92 2.995 -4.987 0.638 719 2HG2 ILE 92 HG22 ILE 92 2.936 -3.874 -0.730 720 3HG2 ILE 92 HG23 ILE 92 2.239 -3.404 0.821 721 1HD1 ILE 92 HD11 ILE 92 6.521 -3.046 2.137 722 2HD1 ILE 92 HD12 ILE 92 5.901 -3.168 3.784 723 3HD1 ILE 92 HD13 ILE 92 5.786 -1.641 2.910 724 H PHE 93 HN PHE 93 5.528 -3.994 -2.152 725 HA PHE 93 HA PHE 93 3.843 -6.153 -2.856 726 1HB PHE 93 HB2 PHE 93 3.998 -5.303 -4.953 727 2HB PHE 93 HB1 PHE 93 4.821 -3.962 -4.159 728 HD1 PHE 93 HD1 PHE 93 7.409 -4.514 -3.700 729 HD2 PHE 93 HD2 PHE 93 5.030 -6.122 -6.835 730 HE1 PHE 93 HE1 PHE 93 9.441 -4.993 -4.989 731 HE2 PHE 93 HE2 PHE 93 7.059 -6.600 -8.136 732 HZ PHE 93 HZ PHE 93 9.275 -6.033 -7.218 733 H HIS 94 HN HIS 94 7.294 -5.847 -2.393 734 HA HIS 94 HA HIS 94 8.178 -8.120 -3.761 735 1HB HIS 94 HB2 HIS 94 9.296 -6.177 -2.007 736 2HB HIS 94 HB1 HIS 94 9.754 -7.764 -1.401 737 HD1 HIS 94 HD1 HIS 94 9.864 -8.974 -4.413 738 HD2 HIS 94 HD2 HIS 94 11.895 -5.670 -2.924 739 HE1 HIS 94 HE1 HIS 94 11.869 -8.691 -5.902 740 HE2 HIS 94 HE2 HIS 94 13.131 -6.741 -4.926 741 H HIS 95 HN HIS 95 7.503 -7.741 -0.293 742 HA HIS 95 HA HIS 95 7.664 -10.529 0.237 743 1HB HIS 95 HB2 HIS 95 7.287 -8.104 1.740 744 2HB HIS 95 HB1 HIS 95 6.092 -9.297 2.237 745 HD1 HIS 95 HD1 HIS 95 6.957 -11.418 3.428 746 HD2 HIS 95 HD2 HIS 95 9.943 -8.726 2.379 747 HE1 HIS 95 HE1 HIS 95 9.011 -12.175 4.666 748 HE2 HIS 95 HE2 HIS 95 10.827 -10.584 3.944 749 H LEU 96 HN LEU 96 5.339 -8.654 -1.324 750 HA LEU 96 HA LEU 96 3.080 -10.285 -0.467 751 1HB LEU 96 HB2 LEU 96 3.399 -7.869 -2.213 752 2HB LEU 96 HB1 LEU 96 1.914 -8.808 -2.262 753 HG LEU 96 HG LEU 96 3.070 -7.568 0.222 754 1HD1 LEU 96 HD11 LEU 96 1.239 -5.936 0.012 755 2HD1 LEU 96 HD12 LEU 96 0.821 -6.632 -1.553 756 3HD1 LEU 96 HD13 LEU 96 2.379 -5.838 -1.330 757 1HD2 LEU 96 HD21 LEU 96 1.281 -8.349 1.387 758 2HD2 LEU 96 HD22 LEU 96 1.435 -9.649 0.201 759 3HD2 LEU 96 HD23 LEU 96 0.232 -8.381 -0.031 760 H GLU 97 HN GLU 97 4.718 -9.499 -3.528 761 HA GLU 97 HA GLU 97 3.400 -11.495 -5.036 762 1HB GLU 97 HB2 GLU 97 5.816 -9.791 -5.391 763 2HB GLU 97 HB1 GLU 97 5.702 -11.233 -6.390 764 1HG GLU 97 HG2 GLU 97 3.213 -10.151 -6.669 765 2HG GLU 97 HG1 GLU 97 4.231 -8.717 -6.542 766 H GLU 98 HN GLU 98 5.698 -11.661 -2.563 767 HA GLU 98 HA GLU 98 6.999 -14.081 -3.445 768 1HB GLU 98 HB2 GLU 98 7.267 -12.186 -1.234 769 2HB GLU 98 HB1 GLU 98 7.489 -13.857 -0.735 770 1HG GLU 98 HG2 GLU 98 8.917 -13.306 -3.177 771 2HG GLU 98 HG1 GLU 98 9.373 -12.181 -1.899 772 H LEU 99 HN LEU 99 3.952 -13.483 -2.372 773 HA LEU 99 HA LEU 99 3.722 -15.891 -0.727 774 1HB LEU 99 HB2 LEU 99 1.652 -13.816 -1.454 775 2HB LEU 99 HB1 LEU 99 1.427 -15.134 -0.318 776 HG LEU 99 HG LEU 99 3.685 -13.309 0.224 777 1HD1 LEU 99 HD11 LEU 99 2.445 -11.480 0.902 778 2HD1 LEU 99 HD12 LEU 99 0.951 -12.404 1.026 779 3HD1 LEU 99 HD13 LEU 99 1.585 -11.963 -0.559 780 1HD2 LEU 99 HD21 LEU 99 1.639 -14.000 2.237 781 2HD2 LEU 99 HD22 LEU 99 3.398 -14.018 2.351 782 3HD2 LEU 99 HD23 LEU 99 2.554 -15.348 1.563 783 H VAL 100 HN VAL 100 1.762 -14.449 -3.313 784 HA VAL 100 HA VAL 100 0.531 -16.833 -4.104 785 HB VAL 100 HB VAL 100 1.064 -14.405 -5.827 786 1HG1 VAL 100 HG11 VAL 100 0.086 -16.755 -6.673 787 2HG1 VAL 100 HG12 VAL 100 -0.436 -15.204 -7.325 788 3HG1 VAL 100 HG13 VAL 100 -1.404 -16.014 -6.093 789 1HG2 VAL 100 HG21 VAL 100 -0.497 -13.254 -4.714 790 2HG2 VAL 100 HG22 VAL 100 -0.265 -14.433 -3.422 791 3HG2 VAL 100 HG23 VAL 100 -1.568 -14.649 -4.590 792 H HIS 101 HN HIS 101 3.632 -15.472 -4.901 793 HA HIS 101 HA HIS 101 4.040 -17.273 -7.136 794 1HB HIS 101 HB2 HIS 101 4.967 -14.819 -6.770 795 2HB HIS 101 HB1 HIS 101 6.274 -15.681 -5.962 796 HD1 HIS 101 HD1 HIS 101 7.642 -17.387 -7.472 797 HD2 HIS 101 HD2 HIS 101 5.036 -14.876 -9.515 798 HE1 HIS 101 HE1 HIS 101 8.338 -17.515 -9.885 799 HE2 HIS 101 HE2 HIS 101 6.801 -15.922 -11.089 800 H ARG 102 HN ARG 102 4.967 -17.003 -3.750 801 HA ARG 102 HA ARG 102 6.722 -19.332 -4.013 802 1HB ARG 102 HB2 ARG 102 7.223 -17.198 -2.609 803 2HB ARG 102 HB1 ARG 102 6.153 -17.932 -1.423 804 1HG ARG 102 HG2 ARG 102 7.587 -19.913 -1.359 805 2HG ARG 102 HG1 ARG 102 8.668 -19.161 -2.534 806 1HD ARG 102 HD2 ARG 102 9.633 -18.803 -0.399 807 2HD ARG 102 HD1 ARG 102 8.939 -17.263 -0.907 808 HE ARG 102 HE ARG 102 7.206 -18.889 0.731 809 1HH1 ARG 102 HH11 ARG 102 9.654 -16.400 0.696 810 2HH1 ARG 102 HH12 ARG 102 9.202 -15.761 2.241 811 1HH2 ARG 102 HH21 ARG 102 6.612 -18.049 2.761 812 2HH2 ARG 102 HH22 ARG 102 7.476 -16.696 3.412 Start of MODEL 3 1 1H MET 1 HT1 MET 1 0.471 -22.953 7.011 2 2H MET 1 HT2 MET 1 1.100 -21.394 7.357 3 3H MET 1 HT3 MET 1 1.649 -22.256 5.979 4 HA MET 1 HA MET 1 -0.391 -22.058 4.913 5 1HB MET 1 HB2 MET 1 -1.480 -22.226 7.351 6 2HB MET 1 HB1 MET 1 -1.583 -20.484 7.143 7 1HG MET 1 HG2 MET 1 -2.690 -21.012 4.896 8 2HG MET 1 HG1 MET 1 -2.886 -22.644 5.533 9 1HE MET 1 HE1 MET 1 -5.272 -22.868 5.471 10 2HE MET 1 HE2 MET 1 -6.313 -22.291 6.773 11 3HE MET 1 HE3 MET 1 -4.927 -23.317 7.140 12 H TYR 2 HN TYR 2 -1.006 -20.198 3.732 13 HA TYR 2 HA TYR 2 0.847 -17.974 4.065 14 1HB TYR 2 HB2 TYR 2 -1.063 -18.676 1.826 15 2HB TYR 2 HB1 TYR 2 0.007 -17.278 1.819 16 HD1 TYR 2 HD1 TYR 2 -0.342 -20.573 0.736 17 HD2 TYR 2 HD2 TYR 2 2.561 -17.894 2.316 18 HE1 TYR 2 HE1 TYR 2 1.449 -21.961 -0.218 19 HE2 TYR 2 HE2 TYR 2 4.361 -19.274 1.367 20 HH TYR 2 HH TYR 2 3.757 -21.787 -0.885 21 H GLY 3 HN GLY 3 0.232 -16.335 5.308 22 1HA GLY 3 HA2 GLY 3 -2.101 -14.837 4.770 23 2HA GLY 3 HA1 GLY 3 -2.361 -15.825 6.198 24 H LYS 4 HN LYS 4 0.346 -15.687 7.155 25 HA LYS 4 HA LYS 4 0.209 -13.408 8.757 26 1HB LYS 4 HB2 LYS 4 1.611 -15.476 9.174 27 2HB LYS 4 HB1 LYS 4 2.762 -14.835 8.007 28 1HG LYS 4 HG2 LYS 4 3.528 -14.305 10.206 29 2HG LYS 4 HG1 LYS 4 2.997 -12.815 9.421 30 1HD LYS 4 HD2 LYS 4 0.863 -12.952 10.614 31 2HD LYS 4 HD1 LYS 4 1.397 -14.440 11.399 32 1HE LYS 4 HE2 LYS 4 3.186 -13.257 12.512 33 2HE LYS 4 HE1 LYS 4 2.784 -11.774 11.647 34 1HZ LYS 4 HZ1 LYS 4 0.914 -11.439 12.904 35 2HZ LYS 4 HZ2 LYS 4 1.929 -12.153 14.053 36 3HZ LYS 4 HZ3 LYS 4 0.729 -13.074 13.296 37 H LEU 5 HN LEU 5 1.250 -13.705 5.510 38 HA LEU 5 HA LEU 5 3.107 -11.684 5.269 39 1HB LEU 5 HB2 LEU 5 1.803 -13.237 3.502 40 2HB LEU 5 HB1 LEU 5 0.943 -11.730 3.243 41 HG LEU 5 HG LEU 5 2.701 -11.819 1.641 42 1HD1 LEU 5 HD11 LEU 5 3.800 -9.791 2.065 43 2HD1 LEU 5 HD12 LEU 5 3.798 -10.058 3.810 44 3HD1 LEU 5 HD13 LEU 5 2.292 -9.680 2.973 45 1HD2 LEU 5 HD21 LEU 5 4.388 -13.211 2.145 46 2HD2 LEU 5 HD22 LEU 5 4.206 -12.958 3.881 47 3HD2 LEU 5 HD23 LEU 5 5.117 -11.801 2.912 48 H ASN 6 HN ASN 6 -0.233 -11.528 6.125 49 HA ASN 6 HA ASN 6 -0.844 -8.910 5.454 50 1HB ASN 6 HB2 ASN 6 -2.447 -9.038 7.419 51 2HB ASN 6 HB1 ASN 6 -2.642 -10.249 6.157 52 1HD2 ASN 6 HD21 ASN 6 -3.818 -11.070 8.220 53 2HD2 ASN 6 HD22 ASN 6 -2.901 -12.168 9.189 54 H ASP 7 HN ASP 7 0.723 -10.230 8.333 55 HA ASP 7 HA ASP 7 0.862 -7.997 9.938 56 1HB ASP 7 HB2 ASP 7 1.794 -10.398 10.314 57 2HB ASP 7 HB1 ASP 7 3.269 -9.768 9.588 58 H LEU 8 HN LEU 8 2.576 -8.731 7.012 59 HA LEU 8 HA LEU 8 4.415 -6.508 7.251 60 1HB LEU 8 HB2 LEU 8 4.937 -8.700 6.100 61 2HB LEU 8 HB1 LEU 8 3.834 -8.212 4.829 62 HG LEU 8 HG LEU 8 6.171 -7.818 4.219 63 1HD1 LEU 8 HD11 LEU 8 4.110 -6.200 3.718 64 2HD1 LEU 8 HD12 LEU 8 5.736 -5.916 3.099 65 3HD1 LEU 8 HD13 LEU 8 5.179 -5.062 4.538 66 1HD2 LEU 8 HD21 LEU 8 7.007 -7.396 6.507 67 2HD2 LEU 8 HD22 LEU 8 6.209 -5.824 6.476 68 3HD2 LEU 8 HD23 LEU 8 7.519 -6.170 5.347 69 H LEU 9 HN LEU 9 1.414 -7.319 5.609 70 HA LEU 9 HA LEU 9 1.321 -5.145 3.838 71 1HB LEU 9 HB2 LEU 9 -0.634 -7.065 4.965 72 2HB LEU 9 HB1 LEU 9 -1.295 -5.584 4.302 73 HG LEU 9 HG LEU 9 0.565 -7.357 2.735 74 1HD1 LEU 9 HD11 LEU 9 -1.379 -8.674 3.390 75 2HD1 LEU 9 HD12 LEU 9 -1.415 -8.302 1.666 76 3HD1 LEU 9 HD13 LEU 9 -2.449 -7.409 2.783 77 1HD2 LEU 9 HD21 LEU 9 -0.730 -6.195 0.856 78 2HD2 LEU 9 HD22 LEU 9 0.467 -5.247 1.738 79 3HD2 LEU 9 HD23 LEU 9 -1.248 -5.056 2.097 80 H GLU 10 HN GLU 10 0.211 -5.523 7.172 81 HA GLU 10 HA GLU 10 -1.277 -3.254 7.552 82 1HB GLU 10 HB2 GLU 10 -0.539 -5.188 9.183 83 2HB GLU 10 HB1 GLU 10 0.684 -4.023 9.669 84 1HG GLU 10 HG2 GLU 10 -1.443 -2.441 9.820 85 2HG GLU 10 HG1 GLU 10 -2.245 -3.989 10.082 86 H ASP 11 HN ASP 11 2.257 -3.530 7.705 87 HA ASP 11 HA ASP 11 2.927 -1.021 8.612 88 1HB ASP 11 HB2 ASP 11 4.239 -3.003 6.830 89 2HB ASP 11 HB1 ASP 11 4.902 -1.372 6.828 90 H LEU 12 HN LEU 12 2.205 -1.975 5.281 91 HA LEU 12 HA LEU 12 2.718 0.435 4.016 92 1HB LEU 12 HB2 LEU 12 2.258 -0.917 2.310 93 2HB LEU 12 HB1 LEU 12 1.492 -2.071 3.373 94 HG LEU 12 HG LEU 12 -0.239 0.204 2.676 95 1HD1 LEU 12 HD11 LEU 12 1.227 -1.184 0.583 96 2HD1 LEU 12 HD12 LEU 12 0.239 0.275 0.505 97 3HD1 LEU 12 HD13 LEU 12 -0.523 -1.311 0.406 98 1HD2 LEU 12 HD21 LEU 12 -0.394 -2.695 3.132 99 2HD2 LEU 12 HD22 LEU 12 -1.514 -2.065 1.928 100 3HD2 LEU 12 HD23 LEU 12 -1.526 -1.415 3.567 101 H GLN 13 HN GLN 13 -0.467 -0.805 4.988 102 HA GLN 13 HA GLN 13 -1.943 1.456 4.456 103 1HB GLN 13 HB2 GLN 13 -2.735 -0.868 5.214 104 2HB GLN 13 HB1 GLN 13 -2.503 -0.281 6.856 105 1HG GLN 13 HG2 GLN 13 -4.240 1.130 4.854 106 2HG GLN 13 HG1 GLN 13 -4.840 -0.131 5.930 107 1HE2 GLN 13 HE21 GLN 13 -4.540 3.109 5.549 108 2HE2 GLN 13 HE22 GLN 13 -4.645 3.611 7.199 109 H GLU 14 HN GLU 14 -0.072 0.710 7.364 110 HA GLU 14 HA GLU 14 -0.943 3.059 8.772 111 1HB GLU 14 HB2 GLU 14 0.263 0.721 9.537 112 2HB GLU 14 HB1 GLU 14 1.613 1.845 9.588 113 1HG GLU 14 HG2 GLU 14 0.663 3.123 11.256 114 2HG GLU 14 HG1 GLU 14 -0.970 2.560 10.900 115 H VAL 15 HN VAL 15 1.605 2.237 6.566 116 HA VAL 15 HA VAL 15 3.260 4.466 7.127 117 HB VAL 15 HB VAL 15 3.698 2.253 5.722 118 1HG1 VAL 15 HG11 VAL 15 2.432 4.020 3.769 119 2HG1 VAL 15 HG12 VAL 15 2.751 2.292 3.700 120 3HG1 VAL 15 HG13 VAL 15 4.018 3.436 3.278 121 1HG2 VAL 15 HG21 VAL 15 5.295 3.971 6.535 122 2HG2 VAL 15 HG22 VAL 15 5.056 4.838 5.016 123 3HG2 VAL 15 HG23 VAL 15 5.741 3.207 5.011 124 H LEU 16 HN LEU 16 0.376 3.991 5.267 125 HA LEU 16 HA LEU 16 0.552 6.274 3.615 126 1HB LEU 16 HB2 LEU 16 -1.700 4.549 4.574 127 2HB LEU 16 HB1 LEU 16 -2.056 6.046 3.738 128 HG LEU 16 HG LEU 16 -2.151 4.352 2.098 129 1HD1 LEU 16 HD11 LEU 16 -0.422 4.935 0.544 130 2HD1 LEU 16 HD12 LEU 16 0.608 5.527 1.845 131 3HD1 LEU 16 HD13 LEU 16 -0.885 6.378 1.447 132 1HD2 LEU 16 HD21 LEU 16 -0.916 2.686 3.516 133 2HD2 LEU 16 HD22 LEU 16 0.577 3.387 2.898 134 3HD2 LEU 16 HD23 LEU 16 -0.567 2.628 1.790 135 H LYS 17 HN LYS 17 -0.366 5.767 6.940 136 HA LYS 17 HA LYS 17 -1.851 7.988 7.558 137 1HB LYS 17 HB2 LYS 17 -1.264 6.253 9.195 138 2HB LYS 17 HB1 LYS 17 0.402 6.818 9.198 139 1HG LYS 17 HG2 LYS 17 -1.095 9.086 9.764 140 2HG LYS 17 HG1 LYS 17 -1.884 7.793 10.670 141 1HD LYS 17 HD2 LYS 17 -0.290 7.952 12.212 142 2HD LYS 17 HD1 LYS 17 0.891 7.433 11.008 143 1HE LYS 17 HE2 LYS 17 1.602 9.519 11.994 144 2HE LYS 17 HE1 LYS 17 1.165 9.781 10.306 145 1HZ LYS 17 HZ1 LYS 17 -0.778 10.253 12.482 146 2HZ LYS 17 HZ2 LYS 17 -0.792 10.860 10.904 147 3HZ LYS 17 HZ3 LYS 17 0.332 11.446 12.024 148 H ASN 18 HN ASN 18 1.612 7.734 7.081 149 HA ASN 18 HA ASN 18 2.171 10.476 7.739 150 1HB ASN 18 HB2 ASN 18 3.691 8.143 6.732 151 2HB ASN 18 HB1 ASN 18 4.301 9.715 6.224 152 1HD2 ASN 18 HD21 ASN 18 5.282 11.027 7.681 153 2HD2 ASN 18 HD22 ASN 18 5.623 10.567 9.311 154 H LEU 19 HN LEU 19 1.815 8.621 4.766 155 HA LEU 19 HA LEU 19 2.433 10.445 2.839 156 1HB LEU 19 HB2 LEU 19 1.906 8.550 1.788 157 2HB LEU 19 HB1 LEU 19 0.819 8.049 3.060 158 HG LEU 19 HG LEU 19 -0.181 10.117 1.180 159 1HD1 LEU 19 HD11 LEU 19 0.541 8.836 -0.559 160 2HD1 LEU 19 HD12 LEU 19 -0.944 7.969 -0.181 161 3HD1 LEU 19 HD13 LEU 19 0.605 7.365 0.405 162 1HD2 LEU 19 HD21 LEU 19 -1.823 9.578 2.652 163 2HD2 LEU 19 HD22 LEU 19 -1.222 7.937 2.891 164 3HD2 LEU 19 HD23 LEU 19 -2.125 8.340 1.433 165 H HIS 20 HN HIS 20 -0.648 10.178 4.571 166 HA HIS 20 HA HIS 20 -2.216 11.944 3.180 167 1HB HIS 20 HB2 HIS 20 -2.048 11.679 6.190 168 2HB HIS 20 HB1 HIS 20 -3.393 12.386 5.301 169 HD1 HIS 20 HD1 HIS 20 -2.430 9.382 6.880 170 HD2 HIS 20 HD2 HIS 20 -4.528 10.304 3.435 171 HE1 HIS 20 HE1 HIS 20 -3.735 7.304 6.322 172 HE2 HIS 20 HE2 HIS 20 -4.920 7.854 4.166 173 H LYS 21 HN LYS 21 0.243 12.709 5.591 174 HA LYS 21 HA LYS 21 -0.301 15.550 5.391 175 1HB LYS 21 HB2 LYS 21 1.956 14.294 6.922 176 2HB LYS 21 HB1 LYS 21 1.127 15.815 7.238 177 1HG LYS 21 HG2 LYS 21 -0.150 13.103 7.468 178 2HG LYS 21 HG1 LYS 21 0.554 13.997 8.819 179 1HD LYS 21 HD2 LYS 21 -1.689 14.572 8.971 180 2HD LYS 21 HD1 LYS 21 -1.022 15.914 8.041 181 1HE LYS 21 HE2 LYS 21 -2.082 15.286 6.114 182 2HE LYS 21 HE1 LYS 21 -2.028 13.575 6.524 183 1HZ LYS 21 HZ1 LYS 21 -4.204 13.902 6.896 184 2HZ LYS 21 HZ2 LYS 21 -4.039 15.564 7.157 185 3HZ LYS 21 HZ3 LYS 21 -3.681 14.475 8.400 186 H ASN 22 HN ASN 22 1.305 13.622 3.342 187 HA ASN 22 HA ASN 22 3.106 15.807 2.612 188 1HB ASN 22 HB2 ASN 22 3.945 12.955 3.059 189 2HB ASN 22 HB1 ASN 22 4.895 14.076 2.094 190 1HD2 ASN 22 HD21 ASN 22 6.577 14.706 3.227 191 2HD2 ASN 22 HD22 ASN 22 6.567 15.188 4.886 192 H TRP 23 HN TRP 23 0.656 13.931 1.615 193 HA TRP 23 HA TRP 23 1.678 13.230 -0.987 194 1HB TRP 23 HB2 TRP 23 -0.147 11.928 -1.171 195 2HB TRP 23 HB1 TRP 23 -0.361 12.246 0.543 196 HD1 TRP 23 HD1 TRP 23 -2.604 13.255 1.197 197 HE1 TRP 23 HE1 TRP 23 -4.568 14.343 -0.027 198 HE3 TRP 23 HE3 TRP 23 -0.565 13.422 -3.426 199 HZ2 TRP 23 HZ2 TRP 23 -5.178 15.144 -2.701 200 HZ3 TRP 23 HZ3 TRP 23 -1.873 14.328 -5.275 201 HH2 TRP 23 HH2 TRP 23 -4.141 15.184 -4.931 202 H HIS 24 HN HIS 24 -0.734 15.561 0.233 203 HA HIS 24 HA HIS 24 0.079 17.662 -1.399 204 1HB HIS 24 HB2 HIS 24 -0.810 16.103 -3.198 205 2HB HIS 24 HB1 HIS 24 -2.408 16.379 -2.519 206 HD1 HIS 24 HD1 HIS 24 -2.047 17.229 -5.354 207 HD2 HIS 24 HD2 HIS 24 -1.162 19.728 -2.154 208 HE1 HIS 24 HE1 HIS 24 -2.151 19.566 -6.278 209 HE2 HIS 24 HE2 HIS 24 -1.693 21.064 -4.305 210 H GLY 25 HN GLY 25 -0.455 17.859 1.093 211 1HA GLY 25 HA2 GLY 25 -1.730 19.733 2.059 212 2HA GLY 25 HA1 GLY 25 -3.147 19.065 1.264 213 H GLY 26 HN GLY 26 -4.369 17.592 2.326 214 1HA GLY 26 HA2 GLY 26 -3.250 16.464 4.802 215 2HA GLY 26 HA1 GLY 26 -4.862 17.165 4.757 216 H LYS 27 HN LYS 27 -5.927 15.319 5.298 217 HA LYS 27 HA LYS 27 -5.582 12.947 3.641 218 1HB LYS 27 HB2 LYS 27 -5.704 12.777 6.135 219 2HB LYS 27 HB1 LYS 27 -7.382 13.295 6.035 220 1HG LYS 27 HG2 LYS 27 -7.509 11.271 4.329 221 2HG LYS 27 HG1 LYS 27 -6.143 10.712 5.293 222 1HD LYS 27 HD2 LYS 27 -8.621 11.688 6.649 223 2HD LYS 27 HD1 LYS 27 -8.567 10.054 5.982 224 1HE LYS 27 HE2 LYS 27 -7.734 9.531 8.008 225 2HE LYS 27 HE1 LYS 27 -6.222 10.114 7.314 226 1HZ LYS 27 HZ1 LYS 27 -8.109 11.723 8.949 227 2HZ LYS 27 HZ2 LYS 27 -6.660 12.286 8.282 228 3HZ LYS 27 HZ3 LYS 27 -6.631 11.093 9.480 229 H ASP 28 HN ASP 28 -7.594 15.677 3.769 230 HA ASP 28 HA ASP 28 -10.095 14.763 3.129 231 1HB ASP 28 HB2 ASP 28 -10.211 16.909 1.652 232 2HB ASP 28 HB1 ASP 28 -9.978 17.069 3.390 233 H ASN 29 HN ASN 29 -7.698 15.711 0.649 234 HA ASN 29 HA ASN 29 -9.213 14.376 -1.395 235 1HB ASN 29 HB2 ASN 29 -6.549 15.785 -1.371 236 2HB ASN 29 HB1 ASN 29 -7.135 14.934 -2.797 237 1HD2 ASN 29 HD21 ASN 29 -6.940 17.864 -1.382 238 2HD2 ASN 29 HD22 ASN 29 -8.282 18.651 -2.134 239 H LEU 30 HN LEU 30 -6.541 13.574 0.685 240 HA LEU 30 HA LEU 30 -5.571 11.361 -0.815 241 1HB LEU 30 HB2 LEU 30 -4.467 12.624 1.161 242 2HB LEU 30 HB1 LEU 30 -5.423 11.575 2.176 243 HG LEU 30 HG LEU 30 -3.121 10.762 1.906 244 1HD1 LEU 30 HD11 LEU 30 -4.469 8.642 0.473 245 2HD1 LEU 30 HD12 LEU 30 -5.458 9.316 1.765 246 3HD1 LEU 30 HD13 LEU 30 -3.859 8.683 2.121 247 1HD2 LEU 30 HD21 LEU 30 -3.519 11.393 -0.824 248 2HD2 LEU 30 HD22 LEU 30 -3.269 9.650 -0.715 249 3HD2 LEU 30 HD23 LEU 30 -2.068 10.754 -0.049 250 H HIS 31 HN HIS 31 -8.153 11.863 1.485 251 HA HIS 31 HA HIS 31 -8.737 9.363 2.402 252 1HB HIS 31 HB2 HIS 31 -10.021 11.725 2.513 253 2HB HIS 31 HB1 HIS 31 -11.063 10.890 1.368 254 HD1 HIS 31 HD1 HIS 31 -12.348 8.795 2.250 255 HD2 HIS 31 HD2 HIS 31 -10.190 10.849 5.143 256 HE1 HIS 31 HE1 HIS 31 -13.189 7.930 4.455 257 HE2 HIS 31 HE2 HIS 31 -11.943 9.264 6.192 258 H ASP 32 HN ASP 32 -10.063 10.725 -0.622 259 HA ASP 32 HA ASP 32 -11.256 8.363 -1.516 260 1HB ASP 32 HB2 ASP 32 -10.545 10.964 -2.684 261 2HB ASP 32 HB1 ASP 32 -10.602 9.645 -3.850 262 H VAL 33 HN VAL 33 -7.964 9.302 -1.449 263 HA VAL 33 HA VAL 33 -7.136 7.371 -3.446 264 HB VAL 33 HB VAL 33 -5.862 9.566 -1.949 265 1HG1 VAL 33 HG11 VAL 33 -3.574 8.688 -2.549 266 2HG1 VAL 33 HG12 VAL 33 -4.332 7.111 -2.756 267 3HG1 VAL 33 HG13 VAL 33 -4.358 7.897 -1.184 268 1HG2 VAL 33 HG21 VAL 33 -5.487 8.434 -4.706 269 2HG2 VAL 33 HG22 VAL 33 -4.815 9.956 -4.109 270 3HG2 VAL 33 HG23 VAL 33 -6.562 9.763 -4.269 271 H ASP 34 HN ASP 34 -6.185 7.914 -0.026 272 HA ASP 34 HA ASP 34 -5.129 5.338 0.295 273 1HB ASP 34 HB2 ASP 34 -4.395 6.788 1.947 274 2HB ASP 34 HB1 ASP 34 -6.001 7.471 2.208 275 H ASN 35 HN ASN 35 -8.394 6.468 0.203 276 HA ASN 35 HA ASN 35 -9.649 4.437 1.703 277 1HB ASN 35 HB2 ASN 35 -10.502 6.281 -0.487 278 2HB ASN 35 HB1 ASN 35 -11.507 4.869 -0.181 279 1HD2 ASN 35 HD21 ASN 35 -13.243 5.893 0.660 280 2HD2 ASN 35 HD22 ASN 35 -13.220 6.772 2.147 281 H HIS 36 HN HIS 36 -8.504 4.675 -1.598 282 HA HIS 36 HA HIS 36 -9.422 2.163 -2.524 283 1HB HIS 36 HB2 HIS 36 -7.660 4.298 -3.459 284 2HB HIS 36 HB1 HIS 36 -7.042 2.703 -3.884 285 HD1 HIS 36 HD1 HIS 36 -8.799 1.153 -5.252 286 HD2 HIS 36 HD2 HIS 36 -9.631 5.221 -5.090 287 HE1 HIS 36 HE1 HIS 36 -10.451 1.575 -7.100 288 HE2 HIS 36 HE2 HIS 36 -11.012 4.025 -6.921 289 H LEU 37 HN LEU 37 -6.297 3.292 -1.267 290 HA LEU 37 HA LEU 37 -4.951 0.848 -1.198 291 1HB LEU 37 HB2 LEU 37 -4.111 3.225 -0.684 292 2HB LEU 37 HB1 LEU 37 -4.674 2.939 0.946 293 HG LEU 37 HG LEU 37 -2.554 2.283 1.278 294 1HD1 LEU 37 HD11 LEU 37 -3.734 0.212 1.610 295 2HD1 LEU 37 HD12 LEU 37 -2.157 -0.123 0.895 296 3HD1 LEU 37 HD13 LEU 37 -3.608 -0.175 -0.106 297 1HD2 LEU 37 HD21 LEU 37 -1.293 2.798 -0.495 298 2HD2 LEU 37 HD22 LEU 37 -2.504 2.229 -1.643 299 3HD2 LEU 37 HD23 LEU 37 -1.405 1.081 -0.879 300 H GLN 38 HN GLN 38 -6.383 2.441 1.649 301 HA GLN 38 HA GLN 38 -6.277 0.369 3.428 302 1HB GLN 38 HB2 GLN 38 -7.335 2.884 3.461 303 2HB GLN 38 HB1 GLN 38 -8.789 1.901 3.564 304 1HG GLN 38 HG2 GLN 38 -8.057 0.866 5.562 305 2HG GLN 38 HG1 GLN 38 -6.431 1.526 5.386 306 1HE2 GLN 38 HE21 GLN 38 -9.702 2.165 6.322 307 2HE2 GLN 38 HE22 GLN 38 -9.414 3.701 7.059 308 H ASN 39 HN ASN 39 -8.834 0.997 1.049 309 HA ASN 39 HA ASN 39 -10.495 -1.153 1.863 310 1HB ASN 39 HB2 ASN 39 -10.308 0.454 -0.683 311 2HB ASN 39 HB1 ASN 39 -11.447 -0.877 -0.511 312 1HD2 ASN 39 HD21 ASN 39 -12.551 1.431 -1.037 313 2HD2 ASN 39 HD22 ASN 39 -13.288 2.140 0.356 314 H VAL 40 HN VAL 40 -7.646 -0.963 -0.103 315 HA VAL 40 HA VAL 40 -8.066 -3.463 -1.434 316 HB VAL 40 HB VAL 40 -5.552 -1.824 -1.077 317 1HG1 VAL 40 HG11 VAL 40 -4.329 -3.383 -2.105 318 2HG1 VAL 40 HG12 VAL 40 -5.583 -3.695 -3.303 319 3HG1 VAL 40 HG13 VAL 40 -5.643 -4.499 -1.736 320 1HG2 VAL 40 HG21 VAL 40 -7.790 -1.391 -2.681 321 2HG2 VAL 40 HG22 VAL 40 -6.566 -2.054 -3.765 322 3HG2 VAL 40 HG23 VAL 40 -6.215 -0.609 -2.816 323 H ILE 41 HN ILE 41 -6.327 -2.371 1.443 324 HA ILE 41 HA ILE 41 -4.821 -4.526 2.122 325 HB ILE 41 HB ILE 41 -5.274 -2.338 3.444 326 1HG1 ILE 41 HG12 ILE 41 -4.434 -3.430 5.533 327 2HG1 ILE 41 HG11 ILE 41 -4.742 -4.992 4.784 328 1HG2 ILE 41 HG21 ILE 41 -6.942 -4.007 5.244 329 2HG2 ILE 41 HG22 ILE 41 -7.722 -3.260 3.852 330 3HG2 ILE 41 HG23 ILE 41 -6.896 -2.256 5.040 331 1HD1 ILE 41 HD11 ILE 41 -2.365 -3.895 4.727 332 2HD1 ILE 41 HD12 ILE 41 -3.036 -3.039 3.338 333 3HD1 ILE 41 HD13 ILE 41 -2.983 -4.802 3.346 334 H GLU 42 HN GLU 42 -8.322 -4.277 2.322 335 HA GLU 42 HA GLU 42 -8.635 -6.786 3.695 336 1HB GLU 42 HB2 GLU 42 -10.872 -6.294 3.778 337 2HB GLU 42 HB1 GLU 42 -10.253 -4.672 3.504 338 1HG GLU 42 HG2 GLU 42 -10.690 -4.955 1.090 339 2HG GLU 42 HG1 GLU 42 -11.405 -6.529 1.434 340 H ASP 43 HN ASP 43 -8.825 -5.673 0.346 341 HA ASP 43 HA ASP 43 -9.722 -8.120 -0.716 342 1HB ASP 43 HB2 ASP 43 -9.210 -7.256 -2.859 343 2HB ASP 43 HB1 ASP 43 -9.681 -5.864 -1.900 344 H ILE 44 HN ILE 44 -6.595 -6.964 0.289 345 HA ILE 44 HA ILE 44 -5.211 -9.252 -0.849 346 HB ILE 44 HB ILE 44 -3.888 -7.449 1.128 347 1HG1 ILE 44 HG12 ILE 44 -4.373 -6.714 -1.770 348 2HG1 ILE 44 HG11 ILE 44 -5.086 -5.907 -0.379 349 1HG2 ILE 44 HG21 ILE 44 -2.750 -9.416 0.154 350 2HG2 ILE 44 HG22 ILE 44 -1.940 -7.893 -0.212 351 3HG2 ILE 44 HG23 ILE 44 -2.924 -8.685 -1.444 352 1HD1 ILE 44 HD11 ILE 44 -2.547 -5.619 0.291 353 2HD1 ILE 44 HD12 ILE 44 -3.369 -4.492 -0.789 354 3HD1 ILE 44 HD13 ILE 44 -2.337 -5.759 -1.454 355 H HIS 45 HN HIS 45 -6.226 -8.014 2.307 356 HA HIS 45 HA HIS 45 -5.009 -9.966 3.906 357 1HB HIS 45 HB2 HIS 45 -7.373 -8.163 4.263 358 2HB HIS 45 HB1 HIS 45 -7.055 -9.420 5.456 359 HD1 HIS 45 HD1 HIS 45 -6.676 -7.218 7.027 360 HD2 HIS 45 HD2 HIS 45 -3.808 -8.005 4.126 361 HE1 HIS 45 HE1 HIS 45 -4.646 -5.903 7.720 362 HE2 HIS 45 HE2 HIS 45 -2.891 -6.470 6.002 363 H ASP 46 HN ASP 46 -8.125 -9.927 2.249 364 HA ASP 46 HA ASP 46 -8.819 -12.560 3.238 365 1HB ASP 46 HB2 ASP 46 -10.442 -10.615 2.621 366 2HB ASP 46 HB1 ASP 46 -10.214 -11.170 0.965 367 H PHE 47 HN PHE 47 -6.854 -11.297 0.846 368 HA PHE 47 HA PHE 47 -7.254 -13.447 -1.076 369 1HB PHE 47 HB2 PHE 47 -6.594 -11.807 -2.445 370 2HB PHE 47 HB1 PHE 47 -6.072 -10.820 -1.094 371 HD1 PHE 47 HD1 PHE 47 -3.719 -11.464 -0.088 372 HD2 PHE 47 HD2 PHE 47 -5.049 -12.492 -3.992 373 HE1 PHE 47 HE1 PHE 47 -1.385 -11.710 -0.808 374 HE2 PHE 47 HE2 PHE 47 -2.714 -12.744 -4.722 375 HZ PHE 47 HZ PHE 47 -0.879 -12.352 -3.129 376 H MET 48 HN MET 48 -4.906 -12.470 1.351 377 HA MET 48 HA MET 48 -2.765 -14.082 0.776 378 1HB MET 48 HB2 MET 48 -2.159 -13.946 3.088 379 2HB MET 48 HB1 MET 48 -2.928 -12.429 2.646 380 1HG MET 48 HG2 MET 48 -5.080 -13.618 3.555 381 2HG MET 48 HG1 MET 48 -3.907 -14.604 4.423 382 1HE MET 48 HE1 MET 48 -5.889 -13.388 6.024 383 2HE MET 48 HE2 MET 48 -5.276 -12.165 7.138 384 3HE MET 48 HE3 MET 48 -4.492 -13.741 7.041 385 H GLN 49 HN GLN 49 -5.878 -15.023 2.019 386 HA GLN 49 HA GLN 49 -5.041 -17.648 2.829 387 1HB GLN 49 HB2 GLN 49 -7.077 -16.179 3.636 388 2HB GLN 49 HB1 GLN 49 -7.902 -16.971 2.301 389 1HG GLN 49 HG2 GLN 49 -6.518 -18.957 3.778 390 2HG GLN 49 HG1 GLN 49 -7.409 -17.946 4.914 391 1HE2 GLN 49 HE21 GLN 49 -7.962 -20.656 4.391 392 2HE2 GLN 49 HE22 GLN 49 -9.535 -20.756 3.682 393 H GLY 50 HN GLY 50 -6.056 -16.188 -0.112 394 1HA GLY 50 HA2 GLY 50 -5.490 -17.498 -2.123 395 2HA GLY 50 HA1 GLY 50 -6.235 -18.876 -1.330 396 H GLY 51 HN GLY 51 -8.225 -16.462 -0.476 397 1HA GLY 51 HA2 GLY 51 -10.399 -17.232 -1.975 398 2HA GLY 51 HA1 GLY 51 -10.222 -15.629 -1.273 399 H GLY 52 HN GLY 52 -7.811 -15.101 -2.888 400 1HA GLY 52 HA2 GLY 52 -8.708 -15.148 -5.643 401 2HA GLY 52 HA1 GLY 52 -8.689 -13.554 -4.897 402 H SER 53 HN SER 53 -6.406 -16.003 -3.985 403 HA SER 53 HA SER 53 -4.199 -14.319 -4.623 404 1HB SER 53 HB2 SER 53 -2.845 -15.936 -3.559 405 2HB SER 53 HB1 SER 53 -4.376 -15.995 -2.685 406 HG SER 53 HG SER 53 -3.343 -17.813 -4.581 407 H GLY 54 HN GLY 54 -2.539 -14.658 -6.093 408 1HA GLY 54 HA2 GLY 54 -1.525 -15.412 -8.021 409 2HA GLY 54 HA1 GLY 54 -2.581 -16.815 -7.974 410 H GLY 55 HN GLY 55 -3.144 -13.299 -8.340 411 1HA GLY 55 HA2 GLY 55 -3.694 -13.156 -11.000 412 2HA GLY 55 HA1 GLY 55 -5.177 -13.805 -10.319 413 H LYS 56 HN LYS 56 -5.016 -12.299 -7.837 414 HA LYS 56 HA LYS 56 -6.043 -9.785 -8.878 415 1HB LYS 56 HB2 LYS 56 -6.985 -9.430 -6.709 416 2HB LYS 56 HB1 LYS 56 -7.282 -11.104 -7.156 417 1HG LYS 56 HG2 LYS 56 -6.591 -11.435 -5.030 418 2HG LYS 56 HG1 LYS 56 -5.012 -11.455 -5.819 419 1HD LYS 56 HD2 LYS 56 -4.593 -9.968 -4.126 420 2HD LYS 56 HD1 LYS 56 -5.148 -8.854 -5.378 421 1HE LYS 56 HE2 LYS 56 -6.692 -9.939 -3.044 422 2HE LYS 56 HE1 LYS 56 -6.271 -8.262 -3.378 423 1HZ LYS 56 HZ1 LYS 56 -8.102 -9.918 -5.030 424 2HZ LYS 56 HZ2 LYS 56 -7.745 -8.282 -5.268 425 3HZ LYS 56 HZ3 LYS 56 -8.596 -8.770 -3.892 426 H LEU 57 HN LEU 57 -3.417 -10.887 -6.793 427 HA LEU 57 HA LEU 57 -2.597 -8.366 -5.912 428 1HB LEU 57 HB2 LEU 57 -1.783 -10.365 -4.864 429 2HB LEU 57 HB1 LEU 57 -0.995 -10.875 -6.344 430 HG LEU 57 HG LEU 57 0.577 -9.020 -6.177 431 1HD1 LEU 57 HD11 LEU 57 0.590 -7.485 -4.364 432 2HD1 LEU 57 HD12 LEU 57 -0.707 -8.350 -3.540 433 3HD1 LEU 57 HD13 LEU 57 -1.041 -7.480 -5.038 434 1HD2 LEU 57 HD21 LEU 57 1.922 -10.004 -4.624 435 2HD2 LEU 57 HD22 LEU 57 0.721 -11.279 -4.819 436 3HD2 LEU 57 HD23 LEU 57 0.626 -10.181 -3.442 437 H GLN 58 HN GLN 58 -2.522 -9.577 -9.076 438 HA GLN 58 HA GLN 58 -0.162 -8.083 -9.831 439 1HB GLN 58 HB2 GLN 58 -0.364 -9.031 -11.971 440 2HB GLN 58 HB1 GLN 58 -0.896 -10.304 -10.882 441 1HG GLN 58 HG2 GLN 58 -3.245 -9.621 -11.348 442 2HG GLN 58 HG1 GLN 58 -2.624 -8.505 -12.563 443 1HE2 GLN 58 HE21 GLN 58 -2.265 -11.910 -11.617 444 2HE2 GLN 58 HE22 GLN 58 -2.312 -12.539 -13.225 445 H GLU 59 HN GLU 59 -3.651 -7.914 -10.482 446 HA GLU 59 HA GLU 59 -3.334 -5.288 -11.690 447 1HB GLU 59 HB2 GLU 59 -5.708 -7.099 -11.264 448 2HB GLU 59 HB1 GLU 59 -5.879 -5.456 -11.865 449 1HG GLU 59 HG2 GLU 59 -3.930 -6.542 -13.489 450 2HG GLU 59 HG1 GLU 59 -5.063 -7.870 -13.245 451 H MET 60 HN MET 60 -4.316 -6.740 -8.697 452 HA MET 60 HA MET 60 -5.569 -4.389 -7.639 453 1HB MET 60 HB2 MET 60 -5.939 -6.870 -6.966 454 2HB MET 60 HB1 MET 60 -4.519 -6.640 -5.954 455 1HG MET 60 HG2 MET 60 -6.023 -6.030 -4.416 456 2HG MET 60 HG1 MET 60 -5.961 -4.478 -5.253 457 1HE MET 60 HE1 MET 60 -9.073 -4.662 -7.588 458 2HE MET 60 HE2 MET 60 -7.613 -5.525 -8.071 459 3HE MET 60 HE3 MET 60 -7.488 -3.943 -7.302 460 H MET 61 HN MET 61 -2.340 -5.820 -7.544 461 HA MET 61 HA MET 61 -1.250 -4.384 -5.417 462 1HB MET 61 HB2 MET 61 0.932 -4.567 -6.608 463 2HB MET 61 HB1 MET 61 0.062 -6.088 -6.501 464 1HG MET 61 HG2 MET 61 0.574 -6.239 -8.678 465 2HG MET 61 HG1 MET 61 -0.828 -5.189 -8.874 466 1HE MET 61 HE1 MET 61 1.715 -5.947 -10.503 467 2HE MET 61 HE2 MET 61 3.165 -5.237 -9.796 468 3HE MET 61 HE3 MET 61 2.418 -4.492 -11.209 469 H LYS 62 HN LYS 62 -1.711 -3.413 -8.790 470 HA LYS 62 HA LYS 62 -0.353 -0.978 -8.725 471 1HB LYS 62 HB2 LYS 62 -2.516 -2.150 -10.389 472 2HB LYS 62 HB1 LYS 62 -2.304 -0.407 -10.476 473 1HG LYS 62 HG2 LYS 62 0.124 -2.081 -10.734 474 2HG LYS 62 HG1 LYS 62 -1.020 -2.087 -12.078 475 1HD LYS 62 HD2 LYS 62 -0.806 0.241 -12.400 476 2HD LYS 62 HD1 LYS 62 0.001 0.459 -10.846 477 1HE LYS 62 HE2 LYS 62 1.906 -0.871 -11.700 478 2HE LYS 62 HE1 LYS 62 1.106 -0.959 -13.268 479 1HZ LYS 62 HZ1 LYS 62 2.868 0.919 -12.630 480 2HZ LYS 62 HZ2 LYS 62 1.448 1.705 -12.153 481 3HZ LYS 62 HZ3 LYS 62 1.621 1.166 -13.748 482 H GLU 63 HN GLU 63 -3.390 -1.889 -7.340 483 HA GLU 63 HA GLU 63 -4.523 0.701 -7.136 484 1HB GLU 63 HB2 GLU 63 -5.370 -1.881 -6.579 485 2HB GLU 63 HB1 GLU 63 -5.320 -1.107 -5.001 486 1HG GLU 63 HG2 GLU 63 -7.161 0.038 -5.416 487 2HG GLU 63 HG1 GLU 63 -6.521 0.630 -6.949 488 H PHE 64 HN PHE 64 -2.537 -1.236 -4.917 489 HA PHE 64 HA PHE 64 -2.666 0.666 -2.809 490 1HB PHE 64 HB2 PHE 64 -1.086 -0.701 -1.667 491 2HB PHE 64 HB1 PHE 64 -2.103 -1.805 -2.586 492 HD1 PHE 64 HD1 PHE 64 1.107 0.082 -3.032 493 HD2 PHE 64 HD2 PHE 64 -1.086 -3.511 -3.663 494 HE1 PHE 64 HE1 PHE 64 3.092 -0.948 -4.050 495 HE2 PHE 64 HE2 PHE 64 0.897 -4.546 -4.677 496 HZ PHE 64 HZ PHE 64 2.987 -3.264 -4.878 497 H GLN 65 HN GLN 65 -0.663 0.263 -5.604 498 HA GLN 65 HA GLN 65 1.329 2.164 -4.721 499 1HB GLN 65 HB2 GLN 65 1.776 0.195 -6.265 500 2HB GLN 65 HB1 GLN 65 0.938 1.097 -7.520 501 1HG GLN 65 HG2 GLN 65 2.590 2.722 -7.633 502 2HG GLN 65 HG1 GLN 65 3.238 2.311 -6.047 503 1HE2 GLN 65 HE21 GLN 65 4.281 2.423 -8.936 504 2HE2 GLN 65 HE22 GLN 65 5.162 0.946 -9.096 505 H GLN 66 HN GLN 66 -1.583 2.132 -6.648 506 HA GLN 66 HA GLN 66 -1.307 4.494 -8.088 507 1HB GLN 66 HB2 GLN 66 -3.322 2.629 -7.677 508 2HB GLN 66 HB1 GLN 66 -4.009 4.121 -7.053 509 1HG GLN 66 HG2 GLN 66 -4.651 4.327 -9.207 510 2HG GLN 66 HG1 GLN 66 -3.056 5.067 -9.340 511 1HE2 GLN 66 HE21 GLN 66 -1.372 2.988 -9.391 512 2HE2 GLN 66 HE22 GLN 66 -1.676 1.979 -10.759 513 H VAL 67 HN VAL 67 -2.401 3.972 -4.767 514 HA VAL 67 HA VAL 67 -3.252 6.565 -4.158 515 HB VAL 67 HB VAL 67 -2.057 4.355 -2.493 516 1HG1 VAL 67 HG11 VAL 67 -1.535 5.762 -0.856 517 2HG1 VAL 67 HG12 VAL 67 -3.252 6.130 -0.706 518 3HG1 VAL 67 HG13 VAL 67 -2.222 7.131 -1.726 519 1HG2 VAL 67 HG21 VAL 67 -4.569 4.932 -1.557 520 2HG2 VAL 67 HG22 VAL 67 -4.162 3.657 -2.705 521 3HG2 VAL 67 HG23 VAL 67 -4.718 5.224 -3.289 522 H LEU 68 HN LEU 68 -0.044 5.088 -3.784 523 HA LEU 68 HA LEU 68 1.269 7.399 -2.830 524 1HB LEU 68 HB2 LEU 68 2.040 4.758 -3.888 525 2HB LEU 68 HB1 LEU 68 3.252 6.022 -4.024 526 HG LEU 68 HG LEU 68 2.404 6.345 -1.442 527 1HD1 LEU 68 HD11 LEU 68 1.378 4.524 -0.698 528 2HD1 LEU 68 HD12 LEU 68 2.861 3.617 -1.001 529 3HD1 LEU 68 HD13 LEU 68 1.612 3.701 -2.243 530 1HD2 LEU 68 HD21 LEU 68 4.626 6.292 -1.330 531 2HD2 LEU 68 HD22 LEU 68 4.733 5.414 -2.853 532 3HD2 LEU 68 HD23 LEU 68 4.549 4.531 -1.338 533 H ASP 69 HN ASP 69 0.077 6.598 -5.937 534 HA ASP 69 HA ASP 69 1.927 8.012 -7.550 535 1HB ASP 69 HB2 ASP 69 -0.159 6.386 -8.103 536 2HB ASP 69 HB1 ASP 69 -0.919 7.949 -8.390 537 H GLU 70 HN GLU 70 -1.362 8.924 -6.500 538 HA GLU 70 HA GLU 70 -1.353 11.598 -7.244 539 1HB GLU 70 HB2 GLU 70 -3.165 10.052 -6.046 540 2HB GLU 70 HB1 GLU 70 -2.530 10.824 -4.595 541 1HG GLU 70 HG2 GLU 70 -4.042 12.387 -4.978 542 2HG GLU 70 HG1 GLU 70 -2.949 12.955 -6.241 543 H LEU 71 HN LEU 71 -0.054 9.982 -4.482 544 HA LEU 71 HA LEU 71 0.669 12.222 -2.930 545 1HB LEU 71 HB2 LEU 71 0.305 10.208 -1.838 546 2HB LEU 71 HB1 LEU 71 1.273 9.306 -2.978 547 HG LEU 71 HG LEU 71 3.139 10.958 -1.829 548 1HD1 LEU 71 HD11 LEU 71 2.338 10.088 0.669 549 2HD1 LEU 71 HD12 LEU 71 0.862 10.728 -0.049 550 3HD1 LEU 71 HD13 LEU 71 2.290 11.751 0.079 551 1HD2 LEU 71 HD21 LEU 71 3.604 8.831 -0.453 552 2HD2 LEU 71 HD22 LEU 71 3.637 8.711 -2.214 553 3HD2 LEU 71 HD23 LEU 71 2.229 8.155 -1.317 554 H ASN 72 HN ASN 72 2.873 9.853 -4.419 555 HA ASN 72 HA ASN 72 5.197 11.297 -4.169 556 1HB ASN 72 HB2 ASN 72 4.316 9.017 -5.748 557 2HB ASN 72 HB1 ASN 72 5.542 9.962 -6.584 558 1HD2 ASN 72 HD21 ASN 72 5.446 7.281 -5.133 559 2HD2 ASN 72 HD22 ASN 72 6.840 7.322 -4.115 560 H ASN 73 HN ASN 73 2.632 11.780 -6.452 561 HA ASN 73 HA ASN 73 4.246 13.503 -8.140 562 1HB ASN 73 HB2 ASN 73 2.524 11.999 -9.115 563 2HB ASN 73 HB1 ASN 73 1.281 12.922 -8.277 564 1HD2 ASN 73 HD21 ASN 73 3.620 12.931 -10.844 565 2HD2 ASN 73 HD22 ASN 73 3.016 14.327 -11.663 566 H HIS 74 HN HIS 74 3.152 14.021 -5.184 567 HA HIS 74 HA HIS 74 2.839 16.869 -5.644 568 1HB HIS 74 HB2 HIS 74 0.613 15.161 -4.559 569 2HB HIS 74 HB1 HIS 74 0.737 16.873 -4.172 570 HD1 HIS 74 HD1 HIS 74 0.767 18.494 -6.374 571 HD2 HIS 74 HD2 HIS 74 -0.703 14.639 -6.874 572 HE1 HIS 74 HE1 HIS 74 -0.563 18.552 -8.508 573 HE2 HIS 74 HE2 HIS 74 -1.386 16.192 -8.826 574 H LEU 75 HN LEU 75 4.748 15.084 -4.246 575 HA LEU 75 HA LEU 75 4.528 15.124 -1.481 576 1HB LEU 75 HB2 LEU 75 6.681 14.984 -3.420 577 2HB LEU 75 HB1 LEU 75 7.166 15.898 -2.006 578 HG LEU 75 HG LEU 75 7.821 13.737 -1.507 579 1HD1 LEU 75 HD11 LEU 75 5.163 13.420 -0.266 580 2HD1 LEU 75 HD12 LEU 75 6.045 14.903 0.098 581 3HD1 LEU 75 HD13 LEU 75 6.769 13.335 0.456 582 1HD2 LEU 75 HD21 LEU 75 6.644 11.745 -1.991 583 2HD2 LEU 75 HD22 LEU 75 6.554 12.745 -3.442 584 3HD2 LEU 75 HD23 LEU 75 5.165 12.630 -2.361 585 H GLN 76 HN GLN 76 3.336 16.982 -0.971 586 HA GLN 76 HA GLN 76 4.366 19.588 -1.560 587 1HB GLN 76 HB2 GLN 76 1.918 18.467 -0.375 588 2HB GLN 76 HB1 GLN 76 2.393 20.032 0.270 589 1HG GLN 76 HG2 GLN 76 2.171 19.512 -2.677 590 2HG GLN 76 HG1 GLN 76 0.799 20.026 -1.697 591 1HE2 GLN 76 HE21 GLN 76 2.863 21.171 -3.811 592 2HE2 GLN 76 HE22 GLN 76 3.107 22.777 -3.224 593 H GLY 77 HN GLY 77 4.197 17.494 1.279 594 1HA GLY 77 HA2 GLY 77 5.270 19.530 3.032 595 2HA GLY 77 HA1 GLY 77 4.899 17.871 3.464 596 H GLY 78 HN GLY 78 6.438 16.297 2.057 597 1HA GLY 78 HA2 GLY 78 9.036 17.068 1.441 598 2HA GLY 78 HA1 GLY 78 9.015 16.684 3.156 599 H LYS 79 HN LYS 79 9.726 15.459 0.255 600 HA LYS 79 HA LYS 79 8.625 13.015 -0.111 601 1HB LYS 79 HB2 LYS 79 11.585 13.595 -0.254 602 2HB LYS 79 HB1 LYS 79 10.752 12.272 -1.059 603 1HG LYS 79 HG2 LYS 79 10.252 13.560 -2.789 604 2HG LYS 79 HG1 LYS 79 9.514 14.771 -1.739 605 1HD LYS 79 HD2 LYS 79 12.474 14.532 -2.278 606 2HD LYS 79 HD1 LYS 79 11.390 15.659 -3.096 607 1HE LYS 79 HE2 LYS 79 10.870 16.733 -0.983 608 2HE LYS 79 HE1 LYS 79 11.871 15.566 -0.119 609 1HZ LYS 79 HZ1 LYS 79 13.069 17.180 -2.264 610 2HZ LYS 79 HZ2 LYS 79 13.797 16.508 -0.892 611 3HZ LYS 79 HZ3 LYS 79 12.820 17.881 -0.743 612 H HIS 80 HN HIS 80 10.781 13.907 2.493 613 HA HIS 80 HA HIS 80 11.761 11.547 3.402 614 1HB HIS 80 HB2 HIS 80 11.886 13.919 4.445 615 2HB HIS 80 HB1 HIS 80 10.462 13.427 5.355 616 HD1 HIS 80 HD1 HIS 80 13.260 11.032 4.622 617 HD2 HIS 80 HD2 HIS 80 11.800 13.296 7.786 618 HE1 HIS 80 HE1 HIS 80 14.501 10.225 6.654 619 HE2 HIS 80 HE2 HIS 80 13.532 11.542 8.571 620 H THR 81 HN THR 81 8.428 12.617 3.616 621 HA THR 81 HA THR 81 7.551 10.525 5.344 622 HB THR 81 HB THR 81 6.226 12.542 3.578 623 HG1 THR 81 HG1 THR 81 6.703 13.174 5.655 624 1HG2 THR 81 HG21 THR 81 4.982 10.007 4.398 625 2HG2 THR 81 HG22 THR 81 4.550 11.136 3.105 626 3HG2 THR 81 HG23 THR 81 4.064 11.472 4.772 627 H VAL 82 HN VAL 82 6.565 11.061 1.993 628 HA VAL 82 HA VAL 82 5.720 8.513 1.405 629 HB VAL 82 HB VAL 82 7.154 10.314 -0.558 630 1HG1 VAL 82 HG11 VAL 82 6.803 8.255 -1.609 631 2HG1 VAL 82 HG12 VAL 82 5.415 9.223 -2.105 632 3HG1 VAL 82 HG13 VAL 82 5.239 8.019 -0.832 633 1HG2 VAL 82 HG21 VAL 82 4.314 10.360 0.434 634 2HG2 VAL 82 HG22 VAL 82 4.839 11.155 -1.048 635 3HG2 VAL 82 HG23 VAL 82 5.506 11.653 0.503 636 H HIS 83 HN HIS 83 9.049 9.783 1.286 637 HA HIS 83 HA HIS 83 10.289 7.703 -0.048 638 1HB HIS 83 HB2 HIS 83 11.208 9.918 1.195 639 2HB HIS 83 HB1 HIS 83 11.693 8.702 2.371 640 HD1 HIS 83 HD1 HIS 83 13.881 7.625 1.933 641 HD2 HIS 83 HD2 HIS 83 12.241 9.268 -1.513 642 HE1 HIS 83 HE1 HIS 83 15.623 7.316 0.145 643 HE2 HIS 83 HE2 HIS 83 14.645 8.400 -1.907 644 H HIS 84 HN HIS 84 9.296 7.942 3.320 645 HA HIS 84 HA HIS 84 10.318 5.355 4.033 646 1HB HIS 84 HB2 HIS 84 9.913 7.363 5.594 647 2HB HIS 84 HB1 HIS 84 8.219 6.885 5.560 648 HD1 HIS 84 HD1 HIS 84 11.558 5.833 6.865 649 HD2 HIS 84 HD2 HIS 84 7.606 4.555 6.989 650 HE1 HIS 84 HE1 HIS 84 11.478 4.066 8.654 651 HE2 HIS 84 HE2 HIS 84 9.060 3.370 8.769 652 H ILE 85 HN ILE 85 7.339 6.633 2.767 653 HA ILE 85 HA ILE 85 5.887 4.198 3.334 654 HB ILE 85 HB ILE 85 3.996 5.341 3.044 655 1HG1 ILE 85 HG12 ILE 85 4.764 7.106 0.797 656 2HG1 ILE 85 HG11 ILE 85 4.596 5.388 0.463 657 1HG2 ILE 85 HG21 ILE 85 5.060 6.928 4.374 658 2HG2 ILE 85 HG22 ILE 85 4.159 7.815 3.143 659 3HG2 ILE 85 HG23 ILE 85 5.901 7.621 2.993 660 1HD1 ILE 85 HD11 ILE 85 2.359 5.429 0.678 661 2HD1 ILE 85 HD12 ILE 85 2.565 7.144 0.339 662 3HD1 ILE 85 HD13 ILE 85 2.399 6.587 2.003 663 H GLU 86 HN GLU 86 7.481 5.693 0.603 664 HA GLU 86 HA GLU 86 6.459 3.813 -1.316 665 1HB GLU 86 HB2 GLU 86 8.317 4.756 -2.766 666 2HB GLU 86 HB1 GLU 86 7.117 5.910 -2.211 667 1HG GLU 86 HG2 GLU 86 8.692 7.168 -1.338 668 2HG GLU 86 HG1 GLU 86 9.222 5.838 -0.315 669 H GLN 87 HN GLN 87 9.504 4.211 0.489 670 HA GLN 87 HA GLN 87 10.826 1.979 -0.597 671 1HB GLN 87 HB2 GLN 87 11.133 3.683 1.797 672 2HB GLN 87 HB1 GLN 87 11.772 2.056 1.963 673 1HG GLN 87 HG2 GLN 87 13.436 3.725 1.210 674 2HG GLN 87 HG1 GLN 87 13.238 2.362 0.110 675 1HE2 GLN 87 HE21 GLN 87 12.454 2.699 -1.921 676 2HE2 GLN 87 HE22 GLN 87 12.174 4.269 -2.588 677 H ASN 88 HN ASN 88 8.351 2.362 1.794 678 HA ASN 88 HA ASN 88 8.504 -0.355 2.759 679 1HB ASN 88 HB2 ASN 88 6.943 2.082 3.409 680 2HB ASN 88 HB1 ASN 88 6.134 0.546 3.702 681 1HD2 ASN 88 HD21 ASN 88 9.319 2.035 4.196 682 2HD2 ASN 88 HD22 ASN 88 9.542 1.428 5.798 683 H ILE 89 HN ILE 89 5.899 1.540 1.206 684 HA ILE 89 HA ILE 89 4.292 -0.614 0.535 685 HB ILE 89 HB ILE 89 4.305 2.189 -0.074 686 1HG1 ILE 89 HG12 ILE 89 1.881 0.754 -0.725 687 2HG1 ILE 89 HG11 ILE 89 2.582 0.184 0.788 688 1HG2 ILE 89 HG21 ILE 89 3.174 2.134 -2.261 689 2HG2 ILE 89 HG22 ILE 89 3.569 0.422 -2.402 690 3HG2 ILE 89 HG23 ILE 89 4.860 1.624 -2.359 691 1HD1 ILE 89 HD11 ILE 89 1.613 1.908 1.796 692 2HD1 ILE 89 HD12 ILE 89 1.116 2.600 0.253 693 3HD1 ILE 89 HD13 ILE 89 2.705 2.981 0.919 694 H LYS 90 HN LYS 90 6.883 0.888 -1.370 695 HA LYS 90 HA LYS 90 6.435 -0.681 -3.648 696 1HB LYS 90 HB2 LYS 90 9.017 0.582 -2.701 697 2HB LYS 90 HB1 LYS 90 8.751 -0.076 -4.308 698 1HG LYS 90 HG2 LYS 90 6.889 2.015 -3.311 699 2HG LYS 90 HG1 LYS 90 8.509 2.492 -3.824 700 1HD LYS 90 HD2 LYS 90 8.109 1.350 -5.988 701 2HD LYS 90 HD1 LYS 90 6.457 1.014 -5.468 702 1HE LYS 90 HE2 LYS 90 7.583 3.799 -5.557 703 2HE LYS 90 HE1 LYS 90 6.815 3.049 -6.956 704 1HZ LYS 90 HZ1 LYS 90 4.988 3.986 -6.069 705 2HZ LYS 90 HZ2 LYS 90 5.626 4.051 -4.504 706 3HZ LYS 90 HZ3 LYS 90 4.976 2.604 -5.092 707 H GLU 91 HN GLU 91 8.072 -1.295 -0.656 708 HA GLU 91 HA GLU 91 9.237 -3.782 -1.637 709 1HB GLU 91 HB2 GLU 91 9.593 -2.071 0.735 710 2HB GLU 91 HB1 GLU 91 9.670 -3.795 1.061 711 1HG GLU 91 HG2 GLU 91 11.848 -3.460 0.595 712 2HG GLU 91 HG1 GLU 91 11.279 -3.720 -1.053 713 H ILE 92 HN ILE 92 6.293 -2.736 -0.501 714 HA ILE 92 HA ILE 92 5.570 -4.930 1.151 715 HB ILE 92 HB ILE 92 4.287 -2.509 0.163 716 1HG1 ILE 92 HG12 ILE 92 3.255 -2.565 2.355 717 2HG1 ILE 92 HG11 ILE 92 3.729 -4.244 2.572 718 1HG2 ILE 92 HG21 ILE 92 2.804 -3.969 -1.021 719 2HG2 ILE 92 HG22 ILE 92 1.969 -3.363 0.409 720 3HG2 ILE 92 HG23 ILE 92 2.620 -5.002 0.397 721 1HD1 ILE 92 HD11 ILE 92 5.339 -1.771 2.783 722 2HD1 ILE 92 HD12 ILE 92 6.138 -3.225 2.185 723 3HD1 ILE 92 HD13 ILE 92 5.364 -3.231 3.770 724 H PHE 93 HN PHE 93 5.156 -4.050 -2.236 725 HA PHE 93 HA PHE 93 3.539 -6.193 -3.029 726 1HB PHE 93 HB2 PHE 93 3.826 -5.364 -5.125 727 2HB PHE 93 HB1 PHE 93 4.595 -4.023 -4.279 728 HD1 PHE 93 HD1 PHE 93 4.966 -6.000 -7.017 729 HD2 PHE 93 HD2 PHE 93 7.161 -4.742 -3.602 730 HE1 PHE 93 HE1 PHE 93 7.069 -6.474 -8.199 731 HE2 PHE 93 HE2 PHE 93 9.261 -5.216 -4.766 732 HZ PHE 93 HZ PHE 93 9.229 -6.076 -7.078 733 H HIS 94 HN HIS 94 6.937 -6.005 -2.302 734 HA HIS 94 HA HIS 94 7.851 -8.285 -3.665 735 1HB HIS 94 HB2 HIS 94 8.948 -6.359 -1.930 736 2HB HIS 94 HB1 HIS 94 9.243 -7.914 -1.159 737 HD1 HIS 94 HD1 HIS 94 10.946 -5.694 -3.205 738 HD2 HIS 94 HD2 HIS 94 10.248 -9.781 -3.465 739 HE1 HIS 94 HE1 HIS 94 12.737 -6.586 -4.726 740 HE2 HIS 94 HE2 HIS 94 12.231 -9.043 -4.951 741 H HIS 95 HN HIS 95 7.202 -7.955 -0.179 742 HA HIS 95 HA HIS 95 7.162 -10.738 0.296 743 1HB HIS 95 HB2 HIS 95 6.404 -8.299 1.825 744 2HB HIS 95 HB1 HIS 95 5.732 -9.833 2.370 745 HD1 HIS 95 HD1 HIS 95 9.005 -8.032 1.959 746 HD2 HIS 95 HD2 HIS 95 7.521 -11.533 3.634 747 HE1 HIS 95 HE1 HIS 95 10.888 -8.969 3.337 748 HE2 HIS 95 HE2 HIS 95 9.934 -11.035 4.417 749 H LEU 96 HN LEU 96 4.974 -8.737 -1.312 750 HA LEU 96 HA LEU 96 2.613 -10.279 -0.583 751 1HB LEU 96 HB2 LEU 96 3.120 -7.911 -2.361 752 2HB LEU 96 HB1 LEU 96 1.588 -8.769 -2.412 753 HG LEU 96 HG LEU 96 2.782 -7.393 -0.023 754 1HD1 LEU 96 HD11 LEU 96 0.886 -5.854 -0.275 755 2HD1 LEU 96 HD12 LEU 96 0.396 -6.711 -1.736 756 3HD1 LEU 96 HD13 LEU 96 1.931 -5.842 -1.697 757 1HD2 LEU 96 HD21 LEU 96 1.338 -8.435 1.298 758 2HD2 LEU 96 HD22 LEU 96 0.990 -9.525 -0.048 759 3HD2 LEU 96 HD23 LEU 96 -0.001 -8.089 0.205 760 H GLU 97 HN GLU 97 4.395 -9.507 -3.554 761 HA GLU 97 HA GLU 97 3.116 -11.567 -5.064 762 1HB GLU 97 HB2 GLU 97 4.789 -9.348 -5.606 763 2HB GLU 97 HB1 GLU 97 5.639 -10.768 -6.199 764 1HG GLU 97 HG2 GLU 97 4.440 -10.318 -8.050 765 2HG GLU 97 HG1 GLU 97 3.232 -11.288 -7.208 766 H GLU 98 HN GLU 98 5.441 -11.605 -2.665 767 HA GLU 98 HA GLU 98 6.930 -13.868 -3.753 768 1HB GLU 98 HB2 GLU 98 7.198 -12.158 -1.302 769 2HB GLU 98 HB1 GLU 98 8.023 -13.707 -1.395 770 1HG GLU 98 HG2 GLU 98 8.350 -11.831 -3.667 771 2HG GLU 98 HG1 GLU 98 9.169 -11.450 -2.153 772 H LEU 99 HN LEU 99 4.322 -13.197 -1.584 773 HA LEU 99 HA LEU 99 4.405 -15.620 -0.103 774 1HB LEU 99 HB2 LEU 99 3.225 -13.533 0.597 775 2HB LEU 99 HB1 LEU 99 2.029 -13.842 -0.646 776 HG LEU 99 HG LEU 99 1.656 -16.096 0.547 777 1HD1 LEU 99 HD11 LEU 99 3.041 -14.554 2.734 778 2HD1 LEU 99 HD12 LEU 99 3.620 -16.034 1.972 779 3HD1 LEU 99 HD13 LEU 99 2.151 -16.058 2.948 780 1HD2 LEU 99 HD21 LEU 99 -0.173 -14.780 0.754 781 2HD2 LEU 99 HD22 LEU 99 0.756 -13.386 1.307 782 3HD2 LEU 99 HD23 LEU 99 0.374 -14.693 2.428 783 H VAL 100 HN VAL 100 2.347 -14.553 -2.816 784 HA VAL 100 HA VAL 100 1.074 -17.076 -3.116 785 HB VAL 100 HB VAL 100 1.319 -14.893 -5.188 786 1HG1 VAL 100 HG11 VAL 100 -0.843 -16.962 -4.845 787 2HG1 VAL 100 HG12 VAL 100 0.523 -17.146 -5.945 788 3HG1 VAL 100 HG13 VAL 100 -0.631 -15.834 -6.184 789 1HG2 VAL 100 HG21 VAL 100 0.420 -13.839 -3.286 790 2HG2 VAL 100 HG22 VAL 100 -0.573 -15.238 -2.879 791 3HG2 VAL 100 HG23 VAL 100 -0.971 -14.253 -4.288 792 H HIS 101 HN HIS 101 4.023 -15.712 -4.371 793 HA HIS 101 HA HIS 101 4.323 -17.630 -6.486 794 1HB HIS 101 HB2 HIS 101 5.877 -15.365 -5.405 795 2HB HIS 101 HB1 HIS 101 6.834 -16.657 -6.120 796 HD1 HIS 101 HD1 HIS 101 7.467 -15.843 -8.371 797 HD2 HIS 101 HD2 HIS 101 3.478 -15.066 -7.505 798 HE1 HIS 101 HE1 HIS 101 6.502 -14.861 -10.474 799 HE2 HIS 101 HE2 HIS 101 4.106 -14.330 -9.904 800 H ARG 102 HN ARG 102 5.520 -17.278 -3.186 801 HA ARG 102 HA ARG 102 7.297 -19.502 -3.316 802 1HB ARG 102 HB2 ARG 102 7.604 -19.201 -0.969 803 2HB ARG 102 HB1 ARG 102 7.470 -17.602 -1.683 804 1HG ARG 102 HG2 ARG 102 5.280 -17.306 -0.847 805 2HG ARG 102 HG1 ARG 102 5.145 -19.009 -0.405 806 1HD ARG 102 HD2 ARG 102 5.540 -17.673 1.574 807 2HD ARG 102 HD1 ARG 102 6.938 -18.698 1.250 808 HE ARG 102 HE ARG 102 7.089 -16.016 0.171 809 1HH1 ARG 102 HH11 ARG 102 7.849 -18.122 2.853 810 2HH1 ARG 102 HH12 ARG 102 9.123 -17.112 3.444 811 1HH2 ARG 102 HH21 ARG 102 8.765 -14.689 0.951 812 2HH2 ARG 102 HH22 ARG 102 9.643 -15.164 2.366 Start of MODEL 4 1 1H MET 1 HT1 MET 1 2.854 -21.112 3.805 2 2H MET 1 HT2 MET 1 1.355 -21.949 3.817 3 3H MET 1 HT3 MET 1 2.582 -22.366 4.941 4 HA MET 1 HA MET 1 0.694 -21.007 5.784 5 1HB MET 1 HB2 MET 1 3.617 -20.559 6.066 6 2HB MET 1 HB1 MET 1 2.561 -19.367 6.810 7 1HG MET 1 HG2 MET 1 2.662 -20.755 8.563 8 2HG MET 1 HG1 MET 1 1.406 -21.630 7.689 9 1HE MET 1 HE1 MET 1 5.455 -22.066 6.436 10 2HE MET 1 HE2 MET 1 5.809 -22.509 8.105 11 3HE MET 1 HE3 MET 1 5.045 -20.961 7.747 12 H TYR 2 HN TYR 2 -0.675 -19.563 4.960 13 HA TYR 2 HA TYR 2 0.436 -17.096 3.810 14 1HB TYR 2 HB2 TYR 2 -2.068 -18.380 2.730 15 2HB TYR 2 HB1 TYR 2 -1.107 -17.089 2.016 16 HD1 TYR 2 HD1 TYR 2 -1.563 -20.660 2.312 17 HD2 TYR 2 HD2 TYR 2 1.134 -17.624 1.044 18 HE1 TYR 2 HE1 TYR 2 -0.325 -22.321 0.990 19 HE2 TYR 2 HE2 TYR 2 2.380 -19.277 -0.285 20 HH TYR 2 HH TYR 2 2.013 -21.456 -1.327 21 H GLY 3 HN GLY 3 -0.589 -15.224 4.350 22 1HA GLY 3 HA2 GLY 3 -2.842 -14.281 5.036 23 2HA GLY 3 HA1 GLY 3 -2.776 -15.482 6.319 24 H LYS 4 HN LYS 4 -0.043 -15.245 6.975 25 HA LYS 4 HA LYS 4 -0.143 -13.043 8.742 26 1HB LYS 4 HB2 LYS 4 1.201 -15.148 9.094 27 2HB LYS 4 HB1 LYS 4 2.332 -14.556 7.884 28 1HG LYS 4 HG2 LYS 4 3.399 -13.806 9.728 29 2HG LYS 4 HG1 LYS 4 2.317 -12.433 9.488 30 1HD LYS 4 HD2 LYS 4 1.334 -14.712 11.123 31 2HD LYS 4 HD1 LYS 4 2.549 -13.650 11.835 32 1HE LYS 4 HE2 LYS 4 1.100 -11.951 12.068 33 2HE LYS 4 HE1 LYS 4 0.360 -12.241 10.495 34 1HZ LYS 4 HZ1 LYS 4 -0.245 -13.590 13.062 35 2HZ LYS 4 HZ2 LYS 4 -0.778 -14.187 11.571 36 3HZ LYS 4 HZ3 LYS 4 -1.287 -12.664 12.103 37 H LEU 5 HN LEU 5 0.686 -13.249 5.449 38 HA LEU 5 HA LEU 5 2.615 -11.283 5.159 39 1HB LEU 5 HB2 LEU 5 0.925 -12.707 3.458 40 2HB LEU 5 HB1 LEU 5 0.492 -11.029 3.180 41 HG LEU 5 HG LEU 5 2.175 -11.667 1.587 42 1HD1 LEU 5 HD11 LEU 5 2.276 -9.442 3.060 43 2HD1 LEU 5 HD12 LEU 5 3.448 -9.800 1.792 44 3HD1 LEU 5 HD13 LEU 5 3.847 -10.124 3.479 45 1HD2 LEU 5 HD21 LEU 5 4.145 -12.214 3.768 46 2HD2 LEU 5 HD22 LEU 5 4.174 -12.719 2.079 47 3HD2 LEU 5 HD23 LEU 5 3.064 -13.491 3.213 48 H ASN 6 HN ASN 6 -0.666 -11.091 6.190 49 HA ASN 6 HA ASN 6 -1.193 -8.395 5.670 50 1HB ASN 6 HB2 ASN 6 -2.949 -9.960 6.247 51 2HB ASN 6 HB1 ASN 6 -2.251 -10.168 7.848 52 1HD2 ASN 6 HD21 ASN 6 -3.471 -7.636 5.693 53 2HD2 ASN 6 HD22 ASN 6 -4.222 -6.700 6.935 54 H ASP 7 HN ASP 7 0.153 -10.020 8.523 55 HA ASP 7 HA ASP 7 0.390 -7.880 10.245 56 1HB ASP 7 HB2 ASP 7 1.494 -10.494 10.050 57 2HB ASP 7 HB1 ASP 7 2.828 -9.390 10.368 58 H LEU 8 HN LEU 8 2.279 -8.725 7.442 59 HA LEU 8 HA LEU 8 4.138 -6.523 7.817 60 1HB LEU 8 HB2 LEU 8 5.031 -8.605 6.957 61 2HB LEU 8 HB1 LEU 8 3.861 -8.613 5.654 62 HG LEU 8 HG LEU 8 6.239 -7.947 5.063 63 1HD1 LEU 8 HD11 LEU 8 3.842 -7.233 3.988 64 2HD1 LEU 8 HD12 LEU 8 5.418 -6.925 3.256 65 3HD1 LEU 8 HD13 LEU 8 4.626 -5.667 4.206 66 1HD2 LEU 8 HD21 LEU 8 5.405 -5.496 6.596 67 2HD2 LEU 8 HD22 LEU 8 6.726 -5.514 5.429 68 3HD2 LEU 8 HD23 LEU 8 6.813 -6.521 6.874 69 H LEU 9 HN LEU 9 1.256 -7.342 6.004 70 HA LEU 9 HA LEU 9 1.513 -5.258 4.079 71 1HB LEU 9 HB2 LEU 9 -0.193 -7.403 4.482 72 2HB LEU 9 HB1 LEU 9 -1.229 -6.009 4.717 73 HG LEU 9 HG LEU 9 0.357 -6.718 2.254 74 1HD1 LEU 9 HD11 LEU 9 -1.602 -7.307 1.295 75 2HD1 LEU 9 HD12 LEU 9 -2.533 -6.115 2.201 76 3HD1 LEU 9 HD13 LEU 9 -2.051 -7.628 2.969 77 1HD2 LEU 9 HD21 LEU 9 -0.249 -4.678 1.261 78 2HD2 LEU 9 HD22 LEU 9 0.367 -4.243 2.855 79 3HD2 LEU 9 HD23 LEU 9 -1.371 -4.280 2.562 80 H GLU 10 HN GLU 10 0.180 -5.489 7.304 81 HA GLU 10 HA GLU 10 -1.394 -3.211 7.418 82 1HB GLU 10 HB2 GLU 10 0.188 -4.741 9.439 83 2HB GLU 10 HB1 GLU 10 -0.523 -3.202 9.907 84 1HG GLU 10 HG2 GLU 10 -2.093 -5.459 8.690 85 2HG GLU 10 HG1 GLU 10 -1.897 -5.225 10.426 86 H ASP 11 HN ASP 11 2.108 -3.528 7.816 87 HA ASP 11 HA ASP 11 2.790 -1.041 8.751 88 1HB ASP 11 HB2 ASP 11 4.150 -3.200 7.611 89 2HB ASP 11 HB1 ASP 11 4.581 -1.823 6.603 90 H LEU 12 HN LEU 12 2.100 -1.965 5.413 91 HA LEU 12 HA LEU 12 2.698 0.448 4.162 92 1HB LEU 12 HB2 LEU 12 2.252 -0.898 2.445 93 2HB LEU 12 HB1 LEU 12 1.413 -2.028 3.483 94 HG LEU 12 HG LEU 12 -0.189 0.331 2.727 95 1HD1 LEU 12 HD11 LEU 12 1.276 -1.098 0.699 96 2HD1 LEU 12 HD12 LEU 12 0.232 0.316 0.555 97 3HD1 LEU 12 HD13 LEU 12 -0.464 -1.302 0.496 98 1HD2 LEU 12 HD21 LEU 12 -1.624 -1.161 3.580 99 2HD2 LEU 12 HD22 LEU 12 -0.517 -2.507 3.324 100 3HD2 LEU 12 HD23 LEU 12 -1.531 -1.941 2.001 101 H GLN 13 HN GLN 13 -0.529 -0.731 5.104 102 HA GLN 13 HA GLN 13 -1.956 1.555 4.535 103 1HB GLN 13 HB2 GLN 13 -3.011 -0.567 5.150 104 2HB GLN 13 HB1 GLN 13 -2.430 -0.397 6.801 105 1HG GLN 13 HG2 GLN 13 -4.458 0.454 7.185 106 2HG GLN 13 HG1 GLN 13 -3.782 1.928 6.491 107 1HE2 GLN 13 HE21 GLN 13 -4.570 2.687 4.616 108 2HE2 GLN 13 HE22 GLN 13 -5.830 1.933 3.707 109 H GLU 14 HN GLU 14 -0.179 0.789 7.508 110 HA GLU 14 HA GLU 14 -1.012 3.183 8.846 111 1HB GLU 14 HB2 GLU 14 0.639 2.580 10.544 112 2HB GLU 14 HB1 GLU 14 -0.338 1.185 10.109 113 1HG GLU 14 HG2 GLU 14 1.429 0.279 8.786 114 2HG GLU 14 HG1 GLU 14 2.396 1.737 8.992 115 H VAL 15 HN VAL 15 1.416 2.363 6.560 116 HA VAL 15 HA VAL 15 3.176 4.527 7.173 117 HB VAL 15 HB VAL 15 3.591 2.288 5.804 118 1HG1 VAL 15 HG11 VAL 15 3.966 3.408 3.345 119 2HG1 VAL 15 HG12 VAL 15 2.394 4.057 3.802 120 3HG1 VAL 15 HG13 VAL 15 2.657 2.317 3.774 121 1HG2 VAL 15 HG21 VAL 15 4.998 4.844 5.084 122 2HG2 VAL 15 HG22 VAL 15 5.654 3.202 5.075 123 3HG2 VAL 15 HG23 VAL 15 5.223 3.971 6.603 124 H LEU 16 HN LEU 16 0.301 4.112 5.279 125 HA LEU 16 HA LEU 16 0.595 6.359 3.600 126 1HB LEU 16 HB2 LEU 16 -1.752 4.728 4.500 127 2HB LEU 16 HB1 LEU 16 -2.012 6.209 3.599 128 HG LEU 16 HG LEU 16 -2.068 4.460 2.019 129 1HD1 LEU 16 HD11 LEU 16 -0.716 5.409 0.515 130 2HD1 LEU 16 HD12 LEU 16 0.730 5.078 1.468 131 3HD1 LEU 16 HD13 LEU 16 -0.255 6.495 1.825 132 1HD2 LEU 16 HD21 LEU 16 0.596 3.474 2.993 133 2HD2 LEU 16 HD22 LEU 16 -0.519 2.684 1.876 134 3HD2 LEU 16 HD23 LEU 16 -0.935 2.832 3.582 135 H LYS 17 HN LYS 17 -0.604 5.935 6.870 136 HA LYS 17 HA LYS 17 -1.977 8.242 7.368 137 1HB LYS 17 HB2 LYS 17 -1.646 6.570 9.091 138 2HB LYS 17 HB1 LYS 17 0.080 6.903 9.134 139 1HG LYS 17 HG2 LYS 17 -1.687 9.205 9.647 140 2HG LYS 17 HG1 LYS 17 -1.682 7.935 10.874 141 1HD LYS 17 HD2 LYS 17 0.752 9.361 9.800 142 2HD LYS 17 HD1 LYS 17 -0.018 9.669 11.358 143 1HE LYS 17 HE2 LYS 17 0.360 7.079 11.667 144 2HE LYS 17 HE1 LYS 17 1.624 7.350 10.468 145 1HZ LYS 17 HZ1 LYS 17 1.419 8.368 13.213 146 2HZ LYS 17 HZ2 LYS 17 2.247 9.293 12.065 147 3HZ LYS 17 HZ3 LYS 17 2.754 7.716 12.405 148 H ASN 18 HN ASN 18 1.528 7.831 7.218 149 HA ASN 18 HA ASN 18 2.168 10.537 7.859 150 1HB ASN 18 HB2 ASN 18 3.599 8.144 7.329 151 2HB ASN 18 HB1 ASN 18 4.163 9.335 6.160 152 1HD2 ASN 18 HD21 ASN 18 3.281 9.242 9.602 153 2HD2 ASN 18 HD22 ASN 18 4.661 10.124 10.151 154 H LEU 19 HN LEU 19 1.733 8.714 4.895 155 HA LEU 19 HA LEU 19 2.457 10.594 3.004 156 1HB LEU 19 HB2 LEU 19 2.031 8.720 1.866 157 2HB LEU 19 HB1 LEU 19 0.979 8.114 3.121 158 HG LEU 19 HG LEU 19 -0.125 10.163 1.265 159 1HD1 LEU 19 HD11 LEU 19 0.574 8.918 -0.489 160 2HD1 LEU 19 HD12 LEU 19 -0.810 7.928 -0.044 161 3HD1 LEU 19 HD13 LEU 19 0.809 7.473 0.486 162 1HD2 LEU 19 HD21 LEU 19 -1.690 9.555 2.824 163 2HD2 LEU 19 HD22 LEU 19 -1.103 7.895 2.926 164 3HD2 LEU 19 HD23 LEU 19 -2.040 8.411 1.530 165 H HIS 20 HN HIS 20 -0.562 10.262 4.786 166 HA HIS 20 HA HIS 20 -2.203 11.991 3.364 167 1HB HIS 20 HB2 HIS 20 -2.031 11.320 6.291 168 2HB HIS 20 HB1 HIS 20 -3.223 12.462 5.690 169 HD1 HIS 20 HD1 HIS 20 -5.286 11.524 4.588 170 HD2 HIS 20 HD2 HIS 20 -2.441 8.622 5.436 171 HE1 HIS 20 HE1 HIS 20 -6.449 9.323 4.240 172 HE2 HIS 20 HE2 HIS 20 -4.679 7.582 4.667 173 H LYS 21 HN LYS 21 0.348 12.722 5.658 174 HA LYS 21 HA LYS 21 -0.297 15.562 5.597 175 1HB LYS 21 HB2 LYS 21 2.027 14.355 7.056 176 2HB LYS 21 HB1 LYS 21 1.118 15.813 7.440 177 1HG LYS 21 HG2 LYS 21 -0.010 13.031 7.594 178 2HG LYS 21 HG1 LYS 21 0.695 13.896 8.962 179 1HD LYS 21 HD2 LYS 21 -1.547 14.387 9.224 180 2HD LYS 21 HD1 LYS 21 -0.995 15.772 8.281 181 1HE LYS 21 HE2 LYS 21 -2.045 15.051 6.355 182 2HE LYS 21 HE1 LYS 21 -2.001 13.362 6.852 183 1HZ LYS 21 HZ1 LYS 21 -4.084 15.221 7.161 184 2HZ LYS 21 HZ2 LYS 21 -3.578 14.724 8.696 185 3HZ LYS 21 HZ3 LYS 21 -4.072 13.576 7.557 186 H ASN 22 HN ASN 22 1.368 13.655 3.528 187 HA ASN 22 HA ASN 22 3.123 15.893 2.826 188 1HB ASN 22 HB2 ASN 22 4.111 13.047 2.792 189 2HB ASN 22 HB1 ASN 22 5.045 14.519 2.532 190 1HD2 ASN 22 HD21 ASN 22 6.154 15.232 4.200 191 2HD2 ASN 22 HD22 ASN 22 5.832 14.886 5.861 192 H TRP 23 HN TRP 23 0.759 13.830 1.786 193 HA TRP 23 HA TRP 23 1.739 13.307 -0.848 194 1HB TRP 23 HB2 TRP 23 -0.125 12.056 -1.097 195 2HB TRP 23 HB1 TRP 23 -0.310 12.281 0.632 196 HD1 TRP 23 HD1 TRP 23 -2.575 13.162 1.340 197 HE1 TRP 23 HE1 TRP 23 -4.521 14.402 0.234 198 HE3 TRP 23 HE3 TRP 23 -0.490 13.792 -3.216 199 HZ2 TRP 23 HZ2 TRP 23 -5.106 15.465 -2.367 200 HZ3 TRP 23 HZ3 TRP 23 -1.775 14.881 -4.978 201 HH2 TRP 23 HH2 TRP 23 -4.047 15.714 -4.575 202 H HIS 24 HN HIS 24 -0.718 15.549 0.426 203 HA HIS 24 HA HIS 24 0.171 17.782 -0.945 204 1HB HIS 24 HB2 HIS 24 -0.553 16.454 -2.966 205 2HB HIS 24 HB1 HIS 24 -2.200 16.590 -2.362 206 HD1 HIS 24 HD1 HIS 24 -1.622 17.863 -5.043 207 HD2 HIS 24 HD2 HIS 24 -1.191 19.853 -1.419 208 HE1 HIS 24 HE1 HIS 24 -1.782 20.312 -5.603 209 HE2 HIS 24 HE2 HIS 24 -1.418 21.502 -3.409 210 H GLY 25 HN GLY 25 -0.705 17.385 1.553 211 1HA GLY 25 HA2 GLY 25 -2.154 18.135 3.167 212 2HA GLY 25 HA1 GLY 25 -2.453 19.452 2.047 213 H GLY 26 HN GLY 26 -4.439 18.835 3.636 214 1HA GLY 26 HA2 GLY 26 -6.664 18.319 3.668 215 2HA GLY 26 HA1 GLY 26 -6.561 18.246 1.915 216 H LYS 27 HN LYS 27 -6.039 16.371 4.874 217 HA LYS 27 HA LYS 27 -5.524 13.890 3.783 218 1HB LYS 27 HB2 LYS 27 -5.365 14.038 6.114 219 2HB LYS 27 HB1 LYS 27 -6.969 14.739 6.278 220 1HG LYS 27 HG2 LYS 27 -7.088 12.091 5.122 221 2HG LYS 27 HG1 LYS 27 -6.243 12.088 6.670 222 1HD LYS 27 HD2 LYS 27 -8.474 13.737 7.042 223 2HD LYS 27 HD1 LYS 27 -9.062 12.355 6.117 224 1HE LYS 27 HE2 LYS 27 -7.277 11.819 8.430 225 2HE LYS 27 HE1 LYS 27 -8.929 12.333 8.770 226 1HZ LYS 27 HZ1 LYS 27 -8.669 10.246 6.778 227 2HZ LYS 27 HZ2 LYS 27 -9.769 10.394 8.053 228 3HZ LYS 27 HZ3 LYS 27 -8.213 9.799 8.344 229 H ASP 28 HN ASP 28 -8.468 15.719 3.812 230 HA ASP 28 HA ASP 28 -10.345 13.707 3.325 231 1HB ASP 28 HB2 ASP 28 -10.216 16.610 3.077 232 2HB ASP 28 HB1 ASP 28 -11.208 15.881 1.817 233 H ASN 29 HN ASN 29 -7.965 15.236 1.263 234 HA ASN 29 HA ASN 29 -9.071 14.159 -1.177 235 1HB ASN 29 HB2 ASN 29 -6.365 15.395 -0.614 236 2HB ASN 29 HB1 ASN 29 -6.988 14.997 -2.213 237 1HD2 ASN 29 HD21 ASN 29 -7.435 17.037 0.600 238 2HD2 ASN 29 HD22 ASN 29 -8.319 18.282 -0.209 239 H LEU 30 HN LEU 30 -6.472 13.386 1.068 240 HA LEU 30 HA LEU 30 -5.383 11.208 -0.379 241 1HB LEU 30 HB2 LEU 30 -4.395 12.516 1.610 242 2HB LEU 30 HB1 LEU 30 -5.380 11.486 2.618 243 HG LEU 30 HG LEU 30 -3.112 10.672 2.564 244 1HD1 LEU 30 HD11 LEU 30 -5.338 9.143 2.127 245 2HD1 LEU 30 HD12 LEU 30 -3.753 8.558 2.613 246 3HD1 LEU 30 HD13 LEU 30 -4.204 8.559 0.912 247 1HD2 LEU 30 HD21 LEU 30 -2.567 9.593 0.131 248 2HD2 LEU 30 HD22 LEU 30 -1.948 11.141 0.704 249 3HD2 LEU 30 HD23 LEU 30 -3.378 11.095 -0.325 250 H HIS 31 HN HIS 31 -7.968 11.558 1.970 251 HA HIS 31 HA HIS 31 -8.482 8.991 2.743 252 1HB HIS 31 HB2 HIS 31 -9.799 11.373 2.981 253 2HB HIS 31 HB1 HIS 31 -10.909 10.464 1.961 254 HD1 HIS 31 HD1 HIS 31 -9.903 7.728 3.569 255 HD2 HIS 31 HD2 HIS 31 -11.747 11.143 5.055 256 HE1 HIS 31 HE1 HIS 31 -11.000 7.018 5.718 257 HE2 HIS 31 HE2 HIS 31 -12.033 9.121 6.644 258 H ASP 32 HN ASP 32 -9.470 10.516 -0.302 259 HA ASP 32 HA ASP 32 -10.840 8.178 -1.233 260 1HB ASP 32 HB2 ASP 32 -10.764 10.870 -1.969 261 2HB ASP 32 HB1 ASP 32 -10.061 10.015 -3.340 262 H VAL 33 HN VAL 33 -7.576 9.258 -1.273 263 HA VAL 33 HA VAL 33 -6.839 7.539 -3.494 264 HB VAL 33 HB VAL 33 -5.831 9.879 -2.825 265 1HG1 VAL 33 HG11 VAL 33 -3.622 9.574 -1.705 266 2HG1 VAL 33 HG12 VAL 33 -4.161 7.974 -1.207 267 3HG1 VAL 33 HG13 VAL 33 -5.019 9.406 -0.649 268 1HG2 VAL 33 HG21 VAL 33 -3.558 8.933 -3.779 269 2HG2 VAL 33 HG22 VAL 33 -5.002 9.096 -4.780 270 3HG2 VAL 33 HG23 VAL 33 -4.573 7.526 -4.101 271 H ASP 34 HN ASP 34 -6.232 7.712 0.015 272 HA ASP 34 HA ASP 34 -4.769 5.250 0.028 273 1HB ASP 34 HB2 ASP 34 -4.141 6.634 1.790 274 2HB ASP 34 HB1 ASP 34 -5.802 7.098 2.153 275 H ASN 35 HN ASN 35 -8.119 6.196 0.550 276 HA ASN 35 HA ASN 35 -9.108 3.880 1.729 277 1HB ASN 35 HB2 ASN 35 -10.546 5.801 1.460 278 2HB ASN 35 HB1 ASN 35 -10.408 5.720 -0.294 279 1HD2 ASN 35 HD21 ASN 35 -11.383 3.918 -1.375 280 2HD2 ASN 35 HD22 ASN 35 -12.748 3.125 -0.675 281 H HIS 36 HN HIS 36 -8.049 4.503 -1.517 282 HA HIS 36 HA HIS 36 -9.221 2.372 -2.887 283 1HB HIS 36 HB2 HIS 36 -7.237 4.339 -3.390 284 2HB HIS 36 HB1 HIS 36 -6.524 2.783 -3.798 285 HD1 HIS 36 HD1 HIS 36 -10.178 3.142 -4.346 286 HD2 HIS 36 HD2 HIS 36 -6.667 3.560 -6.530 287 HE1 HIS 36 HE1 HIS 36 -10.891 3.234 -6.755 288 HE2 HIS 36 HE2 HIS 36 -8.759 3.582 -8.050 289 H LEU 37 HN LEU 37 -6.063 2.557 -1.275 290 HA LEU 37 HA LEU 37 -5.624 -0.268 -1.563 291 1HB LEU 37 HB2 LEU 37 -3.512 0.199 -1.012 292 2HB LEU 37 HB1 LEU 37 -3.981 1.878 -1.172 293 HG LEU 37 HG LEU 37 -4.620 1.484 1.412 294 1HD1 LEU 37 HD11 LEU 37 -2.430 0.258 2.212 295 2HD1 LEU 37 HD12 LEU 37 -2.621 -0.590 0.677 296 3HD1 LEU 37 HD13 LEU 37 -3.912 -0.639 1.879 297 1HD2 LEU 37 HD21 LEU 37 -3.169 3.186 0.290 298 2HD2 LEU 37 HD22 LEU 37 -1.823 2.062 0.497 299 3HD2 LEU 37 HD23 LEU 37 -2.672 2.698 1.910 300 H GLN 38 HN GLN 38 -6.864 1.907 0.877 301 HA GLN 38 HA GLN 38 -6.774 0.265 3.124 302 1HB GLN 38 HB2 GLN 38 -7.629 2.740 2.793 303 2HB GLN 38 HB1 GLN 38 -9.191 1.958 2.598 304 1HG GLN 38 HG2 GLN 38 -7.612 1.127 4.943 305 2HG GLN 38 HG1 GLN 38 -8.217 2.783 4.955 306 1HE2 GLN 38 HE21 GLN 38 -9.382 1.855 6.845 307 2HE2 GLN 38 HE22 GLN 38 -10.917 1.119 6.555 308 H ASN 39 HN ASN 39 -8.989 0.375 0.407 309 HA ASN 39 HA ASN 39 -10.681 -1.708 1.501 310 1HB ASN 39 HB2 ASN 39 -11.166 0.312 -0.262 311 2HB ASN 39 HB1 ASN 39 -10.909 -1.033 -1.367 312 1HD2 ASN 39 HD21 ASN 39 -13.341 0.384 -0.950 313 2HD2 ASN 39 HD22 ASN 39 -14.500 -0.746 -0.347 314 H VAL 40 HN VAL 40 -7.800 -1.459 -0.343 315 HA VAL 40 HA VAL 40 -8.087 -3.943 -1.760 316 HB VAL 40 HB VAL 40 -5.692 -2.184 -1.224 317 1HG1 VAL 40 HG11 VAL 40 -4.991 -3.811 -3.323 318 2HG1 VAL 40 HG12 VAL 40 -5.805 -4.921 -2.220 319 3HG1 VAL 40 HG13 VAL 40 -4.428 -3.973 -1.660 320 1HG2 VAL 40 HG21 VAL 40 -6.120 -1.178 -3.194 321 2HG2 VAL 40 HG22 VAL 40 -7.756 -1.783 -2.932 322 3HG2 VAL 40 HG23 VAL 40 -6.639 -2.677 -3.963 323 H ILE 41 HN ILE 41 -6.519 -2.863 1.213 324 HA ILE 41 HA ILE 41 -5.025 -5.022 1.939 325 HB ILE 41 HB ILE 41 -5.452 -2.834 3.218 326 1HG1 ILE 41 HG12 ILE 41 -5.090 -4.209 5.472 327 2HG1 ILE 41 HG11 ILE 41 -4.888 -5.536 4.332 328 1HG2 ILE 41 HG21 ILE 41 -7.420 -4.460 4.784 329 2HG2 ILE 41 HG22 ILE 41 -7.942 -3.426 3.455 330 3HG2 ILE 41 HG23 ILE 41 -7.111 -2.724 4.843 331 1HD1 ILE 41 HD11 ILE 41 -2.908 -3.887 5.159 332 2HD1 ILE 41 HD12 ILE 41 -3.397 -3.113 3.650 333 3HD1 ILE 41 HD13 ILE 41 -2.890 -4.803 3.651 334 H GLU 42 HN GLU 42 -8.521 -4.730 2.064 335 HA GLU 42 HA GLU 42 -8.921 -7.205 3.458 336 1HB GLU 42 HB2 GLU 42 -11.210 -6.749 3.324 337 2HB GLU 42 HB1 GLU 42 -10.494 -5.143 3.351 338 1HG GLU 42 HG2 GLU 42 -11.790 -4.741 1.589 339 2HG GLU 42 HG1 GLU 42 -10.593 -5.660 0.679 340 H ASP 43 HN ASP 43 -8.587 -6.226 0.163 341 HA ASP 43 HA ASP 43 -9.625 -8.698 -0.879 342 1HB ASP 43 HB2 ASP 43 -8.454 -6.213 -2.025 343 2HB ASP 43 HB1 ASP 43 -8.291 -7.683 -2.982 344 H ILE 44 HN ILE 44 -6.581 -7.439 0.205 345 HA ILE 44 HA ILE 44 -5.069 -9.582 -1.034 346 HB ILE 44 HB ILE 44 -3.909 -7.799 1.070 347 1HG1 ILE 44 HG12 ILE 44 -4.404 -7.028 -1.817 348 2HG1 ILE 44 HG11 ILE 44 -5.092 -6.257 -0.395 349 1HG2 ILE 44 HG21 ILE 44 -2.960 -9.617 -0.995 350 2HG2 ILE 44 HG22 ILE 44 -2.149 -9.024 0.455 351 3HG2 ILE 44 HG23 ILE 44 -2.136 -8.058 -1.021 352 1HD1 ILE 44 HD11 ILE 44 -3.318 -4.956 -0.127 353 2HD1 ILE 44 HD12 ILE 44 -2.824 -5.479 -1.737 354 3HD1 ILE 44 HD13 ILE 44 -2.201 -6.308 -0.311 355 H HIS 45 HN HIS 45 -5.623 -8.495 2.324 356 HA HIS 45 HA HIS 45 -4.528 -10.762 3.529 357 1HB HIS 45 HB2 HIS 45 -5.132 -9.816 5.505 358 2HB HIS 45 HB1 HIS 45 -5.421 -8.414 4.483 359 HD1 HIS 45 HD1 HIS 45 -6.908 -9.620 7.237 360 HD2 HIS 45 HD2 HIS 45 -8.390 -9.123 3.390 361 HE1 HIS 45 HE1 HIS 45 -9.407 -9.497 7.494 362 HE2 HIS 45 HE2 HIS 45 -10.276 -9.096 5.162 363 H ASP 46 HN ASP 46 -7.642 -10.268 2.061 364 HA ASP 46 HA ASP 46 -8.728 -12.695 3.238 365 1HB ASP 46 HB2 ASP 46 -10.142 -10.657 2.748 366 2HB ASP 46 HB1 ASP 46 -9.925 -11.004 1.035 367 H PHE 47 HN PHE 47 -7.110 -11.618 0.384 368 HA PHE 47 HA PHE 47 -7.808 -13.978 -1.148 369 1HB PHE 47 HB2 PHE 47 -6.253 -11.507 -1.682 370 2HB PHE 47 HB1 PHE 47 -5.861 -12.930 -2.636 371 HD1 PHE 47 HD1 PHE 47 -9.173 -11.842 -1.353 372 HD2 PHE 47 HD2 PHE 47 -6.683 -12.440 -4.752 373 HE1 PHE 47 HE1 PHE 47 -11.090 -11.397 -2.829 374 HE2 PHE 47 HE2 PHE 47 -8.595 -11.995 -6.235 375 HZ PHE 47 HZ PHE 47 -10.802 -11.472 -5.274 376 H MET 48 HN MET 48 -4.738 -12.699 0.220 377 HA MET 48 HA MET 48 -3.105 -14.797 -0.539 378 1HB MET 48 HB2 MET 48 -1.763 -14.256 1.555 379 2HB MET 48 HB1 MET 48 -2.012 -12.958 0.399 380 1HG MET 48 HG2 MET 48 -4.141 -12.681 2.114 381 2HG MET 48 HG1 MET 48 -2.825 -13.175 3.176 382 1HE MET 48 HE1 MET 48 -2.879 -11.156 4.512 383 2HE MET 48 HE2 MET 48 -1.916 -9.736 4.105 384 3HE MET 48 HE3 MET 48 -1.154 -11.325 4.190 385 H GLN 49 HN GLN 49 -5.627 -14.824 1.802 386 HA GLN 49 HA GLN 49 -4.638 -17.253 3.056 387 1HB GLN 49 HB2 GLN 49 -6.363 -15.139 3.850 388 2HB GLN 49 HB1 GLN 49 -7.303 -16.623 3.877 389 1HG GLN 49 HG2 GLN 49 -4.795 -17.175 5.066 390 2HG GLN 49 HG1 GLN 49 -5.406 -15.677 5.763 391 1HE2 GLN 49 HE21 GLN 49 -6.881 -18.723 4.686 392 2HE2 GLN 49 HE22 GLN 49 -7.744 -19.022 6.152 393 H GLY 50 HN GLY 50 -5.725 -16.938 0.166 394 1HA GLY 50 HA2 GLY 50 -6.446 -18.838 -1.093 395 2HA GLY 50 HA1 GLY 50 -7.372 -19.369 0.303 396 H GLY 51 HN GLY 51 -7.398 -16.073 -0.907 397 1HA GLY 51 HA2 GLY 51 -10.229 -16.474 -1.640 398 2HA GLY 51 HA1 GLY 51 -9.563 -14.965 -1.037 399 H GLY 52 HN GLY 52 -7.779 -16.824 -3.367 400 1HA GLY 52 HA2 GLY 52 -7.811 -16.604 -5.736 401 2HA GLY 52 HA1 GLY 52 -8.751 -15.130 -5.558 402 H SER 53 HN SER 53 -5.943 -15.658 -3.582 403 HA SER 53 HA SER 53 -4.728 -13.244 -4.300 404 1HB SER 53 HB2 SER 53 -4.330 -15.102 -2.328 405 2HB SER 53 HB1 SER 53 -2.894 -15.332 -3.324 406 HG SER 53 HG SER 53 -3.753 -12.773 -2.481 407 H GLY 54 HN GLY 54 -4.695 -16.299 -5.873 408 1HA GLY 54 HA2 GLY 54 -2.194 -15.955 -7.234 409 2HA GLY 54 HA1 GLY 54 -3.416 -17.165 -7.589 410 H GLY 55 HN GLY 55 -2.792 -13.679 -7.918 411 1HA GLY 55 HA2 GLY 55 -2.755 -13.049 -10.395 412 2HA GLY 55 HA1 GLY 55 -4.376 -13.725 -10.408 413 H LYS 56 HN LYS 56 -4.265 -12.419 -7.473 414 HA LYS 56 HA LYS 56 -5.610 -9.996 -8.349 415 1HB LYS 56 HB2 LYS 56 -6.594 -11.460 -6.599 416 2HB LYS 56 HB1 LYS 56 -5.223 -11.097 -5.562 417 1HG LYS 56 HG2 LYS 56 -6.789 -8.821 -6.640 418 2HG LYS 56 HG1 LYS 56 -7.512 -9.802 -5.365 419 1HD LYS 56 HD2 LYS 56 -4.823 -8.440 -5.228 420 2HD LYS 56 HD1 LYS 56 -6.301 -7.880 -4.450 421 1HE LYS 56 HE2 LYS 56 -5.854 -9.149 -2.698 422 2HE LYS 56 HE1 LYS 56 -5.910 -10.586 -3.715 423 1HZ LYS 56 HZ1 LYS 56 -3.797 -10.717 -2.912 424 2HZ LYS 56 HZ2 LYS 56 -3.597 -9.042 -2.800 425 3HZ LYS 56 HZ3 LYS 56 -3.498 -9.806 -4.306 426 H LEU 57 HN LEU 57 -2.730 -10.938 -6.556 427 HA LEU 57 HA LEU 57 -2.041 -8.378 -5.639 428 1HB LEU 57 HB2 LEU 57 -0.933 -10.973 -5.536 429 2HB LEU 57 HB1 LEU 57 0.314 -9.924 -6.178 430 HG LEU 57 HG LEU 57 0.770 -9.773 -3.943 431 1HD1 LEU 57 HD11 LEU 57 -1.366 -7.677 -3.905 432 2HD1 LEU 57 HD12 LEU 57 0.043 -7.512 -4.953 433 3HD1 LEU 57 HD13 LEU 57 0.252 -7.633 -3.208 434 1HD2 LEU 57 HD21 LEU 57 -1.879 -10.778 -3.671 435 2HD2 LEU 57 HD22 LEU 57 -1.678 -9.409 -2.577 436 3HD2 LEU 57 HD23 LEU 57 -0.569 -10.776 -2.492 437 H GLN 58 HN GLN 58 -2.047 -9.556 -8.821 438 HA GLN 58 HA GLN 58 0.157 -7.889 -9.677 439 1HB GLN 58 HB2 GLN 58 -0.386 -8.695 -11.951 440 2HB GLN 58 HB1 GLN 58 -0.132 -10.008 -10.811 441 1HG GLN 58 HG2 GLN 58 -2.012 -10.828 -11.684 442 2HG GLN 58 HG1 GLN 58 -2.805 -9.676 -10.616 443 1HE2 GLN 58 HE21 GLN 58 -4.335 -10.306 -12.561 444 2HE2 GLN 58 HE22 GLN 58 -4.364 -9.137 -13.833 445 H GLU 59 HN GLU 59 -3.363 -7.957 -10.212 446 HA GLU 59 HA GLU 59 -3.250 -5.338 -11.454 447 1HB GLU 59 HB2 GLU 59 -5.274 -7.477 -11.160 448 2HB GLU 59 HB1 GLU 59 -5.900 -5.834 -11.201 449 1HG GLU 59 HG2 GLU 59 -4.590 -5.500 -13.316 450 2HG GLU 59 HG1 GLU 59 -4.267 -7.232 -13.298 451 H MET 60 HN MET 60 -4.095 -6.783 -8.400 452 HA MET 60 HA MET 60 -5.400 -4.438 -7.379 453 1HB MET 60 HB2 MET 60 -5.669 -6.932 -6.646 454 2HB MET 60 HB1 MET 60 -4.274 -6.590 -5.630 455 1HG MET 60 HG2 MET 60 -5.786 -5.958 -4.122 456 2HG MET 60 HG1 MET 60 -5.871 -4.471 -5.066 457 1HE MET 60 HE1 MET 60 -7.358 -3.733 -6.419 458 2HE MET 60 HE2 MET 60 -9.003 -3.842 -5.794 459 3HE MET 60 HE3 MET 60 -8.579 -4.645 -7.306 460 H MET 61 HN MET 61 -2.139 -5.744 -7.388 461 HA MET 61 HA MET 61 -1.035 -4.276 -5.287 462 1HB MET 61 HB2 MET 61 0.402 -5.862 -6.194 463 2HB MET 61 HB1 MET 61 0.093 -5.351 -7.847 464 1HG MET 61 HG2 MET 61 1.455 -3.459 -6.003 465 2HG MET 61 HG1 MET 61 2.366 -4.829 -6.635 466 1HE MET 61 HE1 MET 61 3.205 -1.375 -8.611 467 2HE MET 61 HE2 MET 61 4.008 -2.661 -7.711 468 3HE MET 61 HE3 MET 61 2.793 -1.657 -6.920 469 H LYS 62 HN LYS 62 -1.858 -3.294 -8.547 470 HA LYS 62 HA LYS 62 -0.485 -0.818 -8.531 471 1HB LYS 62 HB2 LYS 62 -1.360 -2.005 -10.566 472 2HB LYS 62 HB1 LYS 62 -2.977 -1.505 -10.093 473 1HG LYS 62 HG2 LYS 62 -1.968 0.883 -10.104 474 2HG LYS 62 HG1 LYS 62 -0.703 0.150 -11.092 475 1HD LYS 62 HD2 LYS 62 -2.109 -0.228 -12.854 476 2HD LYS 62 HD1 LYS 62 -3.530 -0.398 -11.822 477 1HE LYS 62 HE2 LYS 62 -3.481 2.036 -11.413 478 2HE LYS 62 HE1 LYS 62 -2.119 2.174 -12.525 479 1HZ LYS 62 HZ1 LYS 62 -3.862 0.890 -14.058 480 2HZ LYS 62 HZ2 LYS 62 -3.761 2.577 -13.990 481 3HZ LYS 62 HZ3 LYS 62 -4.940 1.763 -13.089 482 H GLU 63 HN GLU 63 -3.516 -1.861 -7.194 483 HA GLU 63 HA GLU 63 -4.710 0.707 -6.961 484 1HB GLU 63 HB2 GLU 63 -5.789 -1.657 -6.791 485 2HB GLU 63 HB1 GLU 63 -5.343 -1.549 -5.093 486 1HG GLU 63 HG2 GLU 63 -7.472 -0.730 -5.037 487 2HG GLU 63 HG1 GLU 63 -6.546 0.759 -5.221 488 H PHE 64 HN PHE 64 -2.633 -1.204 -4.831 489 HA PHE 64 HA PHE 64 -2.880 0.747 -2.710 490 1HB PHE 64 HB2 PHE 64 -1.924 -0.811 -1.327 491 2HB PHE 64 HB1 PHE 64 -2.514 -1.895 -2.579 492 HD1 PHE 64 HD1 PHE 64 0.503 -0.026 -1.495 493 HD2 PHE 64 HD2 PHE 64 -1.062 -3.343 -3.643 494 HE1 PHE 64 HE1 PHE 64 2.779 -0.915 -1.776 495 HE2 PHE 64 HE2 PHE 64 1.212 -4.234 -3.939 496 HZ PHE 64 HZ PHE 64 3.136 -3.016 -3.000 497 H GLN 65 HN GLN 65 -0.744 -0.002 -5.317 498 HA GLN 65 HA GLN 65 1.401 1.674 -4.349 499 1HB GLN 65 HB2 GLN 65 1.576 -0.419 -5.891 500 2HB GLN 65 HB1 GLN 65 1.150 0.700 -7.179 501 1HG GLN 65 HG2 GLN 65 3.401 1.348 -5.331 502 2HG GLN 65 HG1 GLN 65 3.641 0.206 -6.653 503 1HE2 GLN 65 HE21 GLN 65 3.752 3.401 -5.764 504 2HE2 GLN 65 HE22 GLN 65 3.758 4.123 -7.333 505 H GLN 66 HN GLN 66 -1.375 1.923 -6.446 506 HA GLN 66 HA GLN 66 -0.672 4.257 -7.847 507 1HB GLN 66 HB2 GLN 66 -2.517 2.915 -8.611 508 2HB GLN 66 HB1 GLN 66 -3.373 3.134 -7.092 509 1HG GLN 66 HG2 GLN 66 -2.754 5.671 -8.321 510 2HG GLN 66 HG1 GLN 66 -3.656 4.626 -9.417 511 1HE2 GLN 66 HE21 GLN 66 -5.542 5.765 -9.340 512 2HE2 GLN 66 HE22 GLN 66 -6.533 5.875 -7.928 513 H VAL 67 HN VAL 67 -2.130 3.739 -4.699 514 HA VAL 67 HA VAL 67 -3.065 6.273 -4.088 515 HB VAL 67 HB VAL 67 -1.661 4.331 -2.233 516 1HG1 VAL 67 HG11 VAL 67 -2.422 5.501 -0.425 517 2HG1 VAL 67 HG12 VAL 67 -3.780 6.191 -1.306 518 3HG1 VAL 67 HG13 VAL 67 -2.160 6.835 -1.546 519 1HG2 VAL 67 HG21 VAL 67 -3.384 3.020 -2.820 520 2HG2 VAL 67 HG22 VAL 67 -4.320 4.365 -3.473 521 3HG2 VAL 67 HG23 VAL 67 -4.310 4.059 -1.736 522 H LEU 68 HN LEU 68 0.215 5.002 -3.922 523 HA LEU 68 HA LEU 68 1.359 7.358 -2.756 524 1HB LEU 68 HB2 LEU 68 2.300 4.768 -3.796 525 2HB LEU 68 HB1 LEU 68 3.452 6.090 -3.887 526 HG LEU 68 HG LEU 68 2.627 6.415 -1.349 527 1HD1 LEU 68 HD11 LEU 68 2.861 3.659 -0.855 528 2HD1 LEU 68 HD12 LEU 68 1.625 3.833 -2.100 529 3HD1 LEU 68 HD13 LEU 68 1.461 4.693 -0.568 530 1HD2 LEU 68 HD21 LEU 68 4.842 6.202 -1.236 531 2HD2 LEU 68 HD22 LEU 68 4.883 5.243 -2.714 532 3HD2 LEU 68 HD23 LEU 68 4.620 4.455 -1.159 533 H ASP 69 HN ASP 69 0.101 6.792 -5.804 534 HA ASP 69 HA ASP 69 2.047 8.249 -7.347 535 1HB ASP 69 HB2 ASP 69 -0.805 7.501 -8.044 536 2HB ASP 69 HB1 ASP 69 0.399 8.123 -9.165 537 H GLU 70 HN GLU 70 -1.322 8.900 -6.310 538 HA GLU 70 HA GLU 70 -1.475 11.580 -7.080 539 1HB GLU 70 HB2 GLU 70 -3.233 9.967 -5.912 540 2HB GLU 70 HB1 GLU 70 -2.620 10.714 -4.440 541 1HG GLU 70 HG2 GLU 70 -4.675 11.763 -5.356 542 2HG GLU 70 HG1 GLU 70 -3.319 12.868 -5.137 543 H LEU 71 HN LEU 71 0.015 10.004 -4.423 544 HA LEU 71 HA LEU 71 0.651 12.323 -2.887 545 1HB LEU 71 HB2 LEU 71 0.291 10.372 -1.689 546 2HB LEU 71 HB1 LEU 71 1.201 9.396 -2.816 547 HG LEU 71 HG LEU 71 3.119 11.085 -1.753 548 1HD1 LEU 71 HD11 LEU 71 0.896 10.849 0.076 549 2HD1 LEU 71 HD12 LEU 71 2.341 11.850 0.187 550 3HD1 LEU 71 HD13 LEU 71 2.376 10.180 0.755 551 1HD2 LEU 71 HD21 LEU 71 2.257 8.265 -1.300 552 2HD2 LEU 71 HD22 LEU 71 3.599 8.936 -0.384 553 3HD2 LEU 71 HD23 LEU 71 3.677 8.875 -2.145 554 H ASN 72 HN ASN 72 2.762 9.877 -4.396 555 HA ASN 72 HA ASN 72 5.152 11.207 -4.179 556 1HB ASN 72 HB2 ASN 72 4.824 8.846 -4.946 557 2HB ASN 72 HB1 ASN 72 4.372 9.475 -6.527 558 1HD2 ASN 72 HD21 ASN 72 6.053 8.616 -7.649 559 2HD2 ASN 72 HD22 ASN 72 7.697 9.098 -7.429 560 H ASN 73 HN ASN 73 2.556 11.878 -6.371 561 HA ASN 73 HA ASN 73 4.218 13.505 -8.108 562 1HB ASN 73 HB2 ASN 73 1.388 12.569 -8.135 563 2HB ASN 73 HB1 ASN 73 1.786 14.029 -9.035 564 1HD2 ASN 73 HD21 ASN 73 3.371 10.899 -8.480 565 2HD2 ASN 73 HD22 ASN 73 3.654 10.556 -10.149 566 H HIS 74 HN HIS 74 3.070 14.036 -5.112 567 HA HIS 74 HA HIS 74 2.984 16.917 -5.555 568 1HB HIS 74 HB2 HIS 74 0.734 15.351 -4.305 569 2HB HIS 74 HB1 HIS 74 0.954 17.078 -4.042 570 HD1 HIS 74 HD1 HIS 74 0.680 18.628 -6.168 571 HD2 HIS 74 HD2 HIS 74 -0.442 14.663 -6.700 572 HE1 HIS 74 HE1 HIS 74 -0.674 18.591 -8.287 573 HE2 HIS 74 HE2 HIS 74 -1.249 16.165 -8.645 574 H LEU 75 HN LEU 75 4.824 14.984 -4.227 575 HA LEU 75 HA LEU 75 4.743 15.058 -1.452 576 1HB LEU 75 HB2 LEU 75 6.754 14.678 -3.495 577 2HB LEU 75 HB1 LEU 75 7.414 15.616 -2.172 578 HG LEU 75 HG LEU 75 7.941 13.438 -1.590 579 1HD1 LEU 75 HD11 LEU 75 6.538 14.764 0.131 580 2HD1 LEU 75 HD12 LEU 75 6.839 13.050 0.414 581 3HD1 LEU 75 HD13 LEU 75 5.281 13.578 -0.225 582 1HD2 LEU 75 HD21 LEU 75 5.161 12.518 -2.271 583 2HD2 LEU 75 HD22 LEU 75 6.563 11.525 -1.879 584 3HD2 LEU 75 HD23 LEU 75 6.522 12.437 -3.388 585 H GLN 76 HN GLN 76 3.849 16.981 -0.710 586 HA GLN 76 HA GLN 76 4.655 19.540 -1.506 587 1HB GLN 76 HB2 GLN 76 2.522 18.844 -0.273 588 2HB GLN 76 HB1 GLN 76 3.483 18.910 1.197 589 1HG GLN 76 HG2 GLN 76 3.635 21.179 1.167 590 2HG GLN 76 HG1 GLN 76 3.535 21.275 -0.591 591 1HE2 GLN 76 HE21 GLN 76 2.095 22.891 1.229 592 2HE2 GLN 76 HE22 GLN 76 0.412 22.561 1.012 593 H GLY 77 HN GLY 77 7.042 18.961 -1.387 594 1HA GLY 77 HA2 GLY 77 9.108 19.301 -0.444 595 2HA GLY 77 HA1 GLY 77 8.300 20.475 0.583 596 H GLY 78 HN GLY 78 7.431 17.092 0.596 597 1HA GLY 78 HA2 GLY 78 8.926 16.705 3.099 598 2HA GLY 78 HA1 GLY 78 7.192 16.421 3.082 599 H LYS 79 HN LYS 79 9.760 15.623 0.761 600 HA LYS 79 HA LYS 79 8.733 13.166 -0.003 601 1HB LYS 79 HB2 LYS 79 11.141 12.663 -0.685 602 2HB LYS 79 HB1 LYS 79 10.388 14.088 -1.388 603 1HG LYS 79 HG2 LYS 79 11.871 15.468 -0.458 604 2HG LYS 79 HG1 LYS 79 11.798 14.646 1.101 605 1HD LYS 79 HD2 LYS 79 13.343 13.681 -1.304 606 2HD LYS 79 HD1 LYS 79 14.038 14.535 0.074 607 1HE LYS 79 HE2 LYS 79 12.423 12.177 0.758 608 2HE LYS 79 HE1 LYS 79 13.892 11.834 -0.156 609 1HZ LYS 79 HZ1 LYS 79 14.106 13.653 2.123 610 2HZ LYS 79 HZ2 LYS 79 15.218 12.521 1.535 611 3HZ LYS 79 HZ3 LYS 79 13.895 12.007 2.455 612 H HIS 80 HN HIS 80 10.856 13.959 2.679 613 HA HIS 80 HA HIS 80 11.860 11.542 3.422 614 1HB HIS 80 HB2 HIS 80 11.847 12.349 5.741 615 2HB HIS 80 HB1 HIS 80 12.338 13.621 4.627 616 HD1 HIS 80 HD1 HIS 80 10.959 15.729 4.597 617 HD2 HIS 80 HD2 HIS 80 9.197 12.683 6.806 618 HE1 HIS 80 HE1 HIS 80 9.012 16.796 5.779 619 HE2 HIS 80 HE2 HIS 80 7.905 14.912 7.032 620 H THR 81 HN THR 81 8.543 12.608 3.749 621 HA THR 81 HA THR 81 7.699 10.491 5.458 622 HB THR 81 HB THR 81 6.378 12.573 3.785 623 HG1 THR 81 HG1 THR 81 6.171 11.730 6.481 624 1HG2 THR 81 HG21 THR 81 5.088 10.006 4.440 625 2HG2 THR 81 HG22 THR 81 4.699 11.206 3.199 626 3HG2 THR 81 HG23 THR 81 4.184 11.464 4.869 627 H VAL 82 HN VAL 82 6.639 11.065 2.136 628 HA VAL 82 HA VAL 82 5.799 8.514 1.550 629 HB VAL 82 HB VAL 82 7.151 10.358 -0.426 630 1HG1 VAL 82 HG11 VAL 82 6.820 8.226 -1.413 631 2HG1 VAL 82 HG12 VAL 82 5.511 9.253 -1.998 632 3HG1 VAL 82 HG13 VAL 82 5.204 8.076 -0.722 633 1HG2 VAL 82 HG21 VAL 82 4.345 10.328 0.657 634 2HG2 VAL 82 HG22 VAL 82 4.780 11.118 -0.857 635 3HG2 VAL 82 HG23 VAL 82 5.499 11.657 0.657 636 H HIS 83 HN HIS 83 9.106 9.826 1.344 637 HA HIS 83 HA HIS 83 10.338 7.772 -0.034 638 1HB HIS 83 HB2 HIS 83 11.187 9.924 1.644 639 2HB HIS 83 HB1 HIS 83 12.053 8.476 2.140 640 HD1 HIS 83 HD1 HIS 83 13.889 7.638 0.624 641 HD2 HIS 83 HD2 HIS 83 11.664 10.710 -1.071 642 HE1 HIS 83 HE1 HIS 83 15.134 8.300 -1.458 643 HE2 HIS 83 HE2 HIS 83 13.722 10.099 -2.513 644 H HIS 84 HN HIS 84 9.438 7.956 3.367 645 HA HIS 84 HA HIS 84 10.516 5.370 3.996 646 1HB HIS 84 HB2 HIS 84 10.121 7.351 5.607 647 2HB HIS 84 HB1 HIS 84 8.444 6.817 5.633 648 HD1 HIS 84 HD1 HIS 84 7.897 4.708 6.963 649 HD2 HIS 84 HD2 HIS 84 11.956 5.588 6.851 650 HE1 HIS 84 HE1 HIS 84 8.961 3.191 8.663 651 HE2 HIS 84 HE2 HIS 84 11.407 3.794 8.630 652 H ILE 85 HN ILE 85 7.498 6.618 2.824 653 HA ILE 85 HA ILE 85 6.079 4.168 3.409 654 HB ILE 85 HB ILE 85 4.162 5.281 3.098 655 1HG1 ILE 85 HG12 ILE 85 5.062 7.035 0.865 656 2HG1 ILE 85 HG11 ILE 85 4.705 5.342 0.560 657 1HG2 ILE 85 HG21 ILE 85 4.301 7.755 3.260 658 2HG2 ILE 85 HG22 ILE 85 6.047 7.584 3.123 659 3HG2 ILE 85 HG23 ILE 85 5.200 6.854 4.482 660 1HD1 ILE 85 HD11 ILE 85 2.666 6.808 2.082 661 2HD1 ILE 85 HD12 ILE 85 2.491 5.623 0.790 662 3HD1 ILE 85 HD13 ILE 85 2.880 7.296 0.403 663 H GLU 86 HN GLU 86 7.554 5.723 0.618 664 HA GLU 86 HA GLU 86 6.506 3.875 -1.291 665 1HB GLU 86 HB2 GLU 86 8.425 4.778 -2.731 666 2HB GLU 86 HB1 GLU 86 7.193 5.921 -2.221 667 1HG GLU 86 HG2 GLU 86 8.664 7.180 -1.160 668 2HG GLU 86 HG1 GLU 86 9.380 5.794 -0.342 669 H GLN 87 HN GLN 87 9.586 4.129 0.483 670 HA GLN 87 HA GLN 87 10.791 1.876 -0.714 671 1HB GLN 87 HB2 GLN 87 11.190 3.193 1.976 672 2HB GLN 87 HB1 GLN 87 12.144 1.813 1.453 673 1HG GLN 87 HG2 GLN 87 12.130 4.608 0.401 674 2HG GLN 87 HG1 GLN 87 13.488 3.620 0.930 675 1HE2 GLN 87 HE21 GLN 87 11.079 4.006 -1.603 676 2HE2 GLN 87 HE22 GLN 87 12.013 3.285 -2.863 677 H ASN 88 HN ASN 88 8.418 2.294 1.767 678 HA ASN 88 HA ASN 88 8.524 -0.446 2.674 679 1HB ASN 88 HB2 ASN 88 7.056 2.020 3.426 680 2HB ASN 88 HB1 ASN 88 6.209 0.500 3.708 681 1HD2 ASN 88 HD21 ASN 88 9.352 2.045 4.231 682 2HD2 ASN 88 HD22 ASN 88 9.641 1.328 5.777 683 H ILE 89 HN ILE 89 5.911 1.550 1.271 684 HA ILE 89 HA ILE 89 4.233 -0.537 0.589 685 HB ILE 89 HB ILE 89 4.312 2.283 0.059 686 1HG1 ILE 89 HG12 ILE 89 1.815 0.928 -0.485 687 2HG1 ILE 89 HG11 ILE 89 2.586 0.319 0.981 688 1HG2 ILE 89 HG21 ILE 89 4.584 2.073 -2.240 689 2HG2 ILE 89 HG22 ILE 89 2.829 2.085 -2.052 690 3HG2 ILE 89 HG23 ILE 89 3.674 0.565 -2.314 691 1HD1 ILE 89 HD11 ILE 89 1.178 2.795 0.543 692 2HD1 ILE 89 HD12 ILE 89 2.807 3.099 1.146 693 3HD1 ILE 89 HD13 ILE 89 1.712 2.055 2.050 694 H LYS 90 HN LYS 90 6.643 1.065 -1.498 695 HA LYS 90 HA LYS 90 6.125 -0.549 -3.716 696 1HB LYS 90 HB2 LYS 90 8.792 0.677 -2.972 697 2HB LYS 90 HB1 LYS 90 8.299 0.156 -4.577 698 1HG LYS 90 HG2 LYS 90 6.617 2.180 -3.209 699 2HG LYS 90 HG1 LYS 90 8.193 2.688 -3.821 700 1HD LYS 90 HD2 LYS 90 6.104 1.266 -5.466 701 2HD LYS 90 HD1 LYS 90 6.330 3.016 -5.439 702 1HE LYS 90 HE2 LYS 90 8.838 2.287 -5.969 703 2HE LYS 90 HE1 LYS 90 8.005 0.895 -6.658 704 1HZ LYS 90 HZ1 LYS 90 7.992 2.270 -8.444 705 2HZ LYS 90 HZ2 LYS 90 7.989 3.686 -7.519 706 3HZ LYS 90 HZ3 LYS 90 6.559 2.806 -7.721 707 H GLU 91 HN GLU 91 7.942 -1.087 -0.821 708 HA GLU 91 HA GLU 91 9.094 -3.570 -1.818 709 1HB GLU 91 HB2 GLU 91 10.437 -2.055 -0.374 710 2HB GLU 91 HB1 GLU 91 9.290 -2.324 0.931 711 1HG GLU 91 HG2 GLU 91 10.371 -4.147 1.549 712 2HG GLU 91 HG1 GLU 91 10.167 -4.849 -0.055 713 H ILE 92 HN ILE 92 6.173 -2.609 -0.634 714 HA ILE 92 HA ILE 92 5.618 -4.790 1.131 715 HB ILE 92 HB ILE 92 4.259 -2.363 0.304 716 1HG1 ILE 92 HG12 ILE 92 3.353 -2.488 2.546 717 2HG1 ILE 92 HG11 ILE 92 3.817 -4.181 2.675 718 1HG2 ILE 92 HG21 ILE 92 2.566 -4.832 0.609 719 2HG2 ILE 92 HG22 ILE 92 2.737 -3.853 -0.847 720 3HG2 ILE 92 HG23 ILE 92 1.964 -3.174 0.584 721 1HD1 ILE 92 HD11 ILE 92 5.479 -1.734 2.863 722 2HD1 ILE 92 HD12 ILE 92 6.217 -3.202 2.219 723 3HD1 ILE 92 HD13 ILE 92 5.509 -3.204 3.836 724 H PHE 93 HN PHE 93 4.992 -3.918 -2.218 725 HA PHE 93 HA PHE 93 3.298 -6.052 -2.890 726 1HB PHE 93 HB2 PHE 93 3.454 -5.255 -5.023 727 2HB PHE 93 HB1 PHE 93 4.225 -3.885 -4.229 728 HD1 PHE 93 HD1 PHE 93 4.506 -5.818 -6.988 729 HD2 PHE 93 HD2 PHE 93 6.847 -4.579 -3.663 730 HE1 PHE 93 HE1 PHE 93 6.557 -6.243 -8.276 731 HE2 PHE 93 HE2 PHE 93 8.895 -5.004 -4.935 732 HZ PHE 93 HZ PHE 93 8.762 -5.828 -7.255 733 H HIS 94 HN HIS 94 6.730 -5.880 -2.376 734 HA HIS 94 HA HIS 94 7.555 -8.142 -3.819 735 1HB HIS 94 HB2 HIS 94 8.967 -6.297 -2.654 736 2HB HIS 94 HB1 HIS 94 8.838 -7.320 -1.227 737 HD1 HIS 94 HD1 HIS 94 10.896 -6.780 -4.126 738 HD2 HIS 94 HD2 HIS 94 9.868 -10.060 -1.790 739 HE1 HIS 94 HE1 HIS 94 12.637 -8.526 -4.615 740 HE2 HIS 94 HE2 HIS 94 11.965 -10.523 -3.233 741 H HIS 95 HN HIS 95 7.154 -7.878 -0.294 742 HA HIS 95 HA HIS 95 7.125 -10.657 0.154 743 1HB HIS 95 HB2 HIS 95 6.517 -8.227 1.724 744 2HB HIS 95 HB1 HIS 95 5.715 -9.696 2.271 745 HD1 HIS 95 HD1 HIS 95 7.013 -10.897 3.985 746 HD2 HIS 95 HD2 HIS 95 9.484 -8.840 1.352 747 HE1 HIS 95 HE1 HIS 95 9.355 -11.315 4.798 748 HE2 HIS 95 HE2 HIS 95 10.829 -9.997 3.235 749 H LEU 96 HN LEU 96 4.846 -8.657 -1.331 750 HA LEU 96 HA LEU 96 2.542 -10.239 -0.514 751 1HB LEU 96 HB2 LEU 96 2.929 -7.820 -2.252 752 2HB LEU 96 HB1 LEU 96 1.407 -8.698 -2.239 753 HG LEU 96 HG LEU 96 2.708 -7.449 0.165 754 1HD1 LEU 96 HD11 LEU 96 0.405 -6.528 -1.548 755 2HD1 LEU 96 HD12 LEU 96 1.959 -5.725 -1.339 756 3HD1 LEU 96 HD13 LEU 96 0.827 -5.827 0.013 757 1HD2 LEU 96 HD21 LEU 96 -0.142 -8.100 0.236 758 2HD2 LEU 96 HD22 LEU 96 1.109 -8.335 1.456 759 3HD2 LEU 96 HD23 LEU 96 0.921 -9.503 0.147 760 H GLU 97 HN GLU 97 3.914 -9.273 -3.656 761 HA GLU 97 HA GLU 97 2.628 -11.371 -5.069 762 1HB GLU 97 HB2 GLU 97 4.661 -9.295 -5.691 763 2HB GLU 97 HB1 GLU 97 4.621 -10.702 -6.743 764 1HG GLU 97 HG2 GLU 97 2.148 -9.131 -6.113 765 2HG GLU 97 HG1 GLU 97 3.242 -8.672 -7.418 766 H GLU 98 HN GLU 98 5.287 -11.338 -2.988 767 HA GLU 98 HA GLU 98 6.643 -13.572 -4.289 768 1HB GLU 98 HB2 GLU 98 7.979 -11.798 -3.216 769 2HB GLU 98 HB1 GLU 98 7.246 -12.193 -1.666 770 1HG GLU 98 HG2 GLU 98 8.509 -14.447 -3.060 771 2HG GLU 98 HG1 GLU 98 9.606 -13.168 -2.540 772 H LEU 99 HN LEU 99 4.125 -13.098 -2.093 773 HA LEU 99 HA LEU 99 4.539 -15.496 -0.547 774 1HB LEU 99 HB2 LEU 99 3.451 -13.610 0.494 775 2HB LEU 99 HB1 LEU 99 2.223 -13.575 -0.757 776 HG LEU 99 HG LEU 99 1.708 -16.005 0.101 777 1HD1 LEU 99 HD11 LEU 99 3.604 -14.999 2.048 778 2HD1 LEU 99 HD12 LEU 99 2.971 -16.630 1.822 779 3HD1 LEU 99 HD13 LEU 99 2.070 -15.461 2.787 780 1HD2 LEU 99 HD21 LEU 99 0.076 -14.271 0.163 781 2HD2 LEU 99 HD22 LEU 99 0.915 -13.446 1.477 782 3HD2 LEU 99 HD23 LEU 99 0.132 -14.999 1.769 783 H VAL 100 HN VAL 100 2.054 -14.419 -2.866 784 HA VAL 100 HA VAL 100 0.832 -16.955 -3.108 785 HB VAL 100 HB VAL 100 0.761 -14.686 -5.100 786 1HG1 VAL 100 HG11 VAL 100 -0.443 -16.120 -6.308 787 2HG1 VAL 100 HG12 VAL 100 -1.686 -15.994 -5.064 788 3HG1 VAL 100 HG13 VAL 100 -0.497 -17.294 -4.993 789 1HG2 VAL 100 HG21 VAL 100 -1.395 -14.128 -3.903 790 2HG2 VAL 100 HG22 VAL 100 0.090 -13.772 -3.023 791 3HG2 VAL 100 HG23 VAL 100 -0.854 -15.204 -2.613 792 H HIS 101 HN HIS 101 3.242 -15.272 -5.099 793 HA HIS 101 HA HIS 101 3.383 -17.141 -7.176 794 1HB HIS 101 HB2 HIS 101 4.457 -14.767 -6.925 795 2HB HIS 101 HB1 HIS 101 5.823 -15.658 -6.260 796 HD1 HIS 101 HD1 HIS 101 3.622 -16.144 -9.339 797 HD2 HIS 101 HD2 HIS 101 7.623 -16.067 -8.222 798 HE1 HIS 101 HE1 HIS 101 4.917 -16.598 -11.446 799 HE2 HIS 101 HE2 HIS 101 7.337 -16.458 -10.762 800 H ARG 102 HN ARG 102 4.733 -17.176 -3.968 801 HA ARG 102 HA ARG 102 6.772 -19.063 -4.323 802 1HB ARG 102 HB2 ARG 102 6.405 -17.682 -2.272 803 2HB ARG 102 HB1 ARG 102 5.038 -18.713 -1.872 804 1HG ARG 102 HG2 ARG 102 6.840 -20.619 -2.103 805 2HG ARG 102 HG1 ARG 102 7.948 -19.289 -1.760 806 1HD ARG 102 HD2 ARG 102 6.556 -18.755 0.246 807 2HD ARG 102 HD1 ARG 102 5.639 -20.229 -0.066 808 HE ARG 102 HE ARG 102 8.269 -20.031 1.075 809 1HH1 ARG 102 HH11 ARG 102 6.049 -22.094 -0.653 810 2HH1 ARG 102 HH12 ARG 102 6.807 -23.560 -0.126 811 1HH2 ARG 102 HH21 ARG 102 9.267 -21.957 1.768 812 2HH2 ARG 102 HH22 ARG 102 8.633 -23.482 1.247 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -1.113 -22.581 3.181 2 2H MET 1 HT2 MET 1 -1.296 -21.988 1.580 3 3H MET 1 HT3 MET 1 -2.503 -22.995 2.267 4 HA MET 1 HA MET 1 -3.013 -20.590 2.164 5 1HB MET 1 HB2 MET 1 -3.117 -22.392 4.534 6 2HB MET 1 HB1 MET 1 -3.625 -20.723 4.759 7 1HG MET 1 HG2 MET 1 -5.523 -21.007 3.604 8 2HG MET 1 HG1 MET 1 -4.761 -22.048 2.403 9 1HE MET 1 HE1 MET 1 -6.549 -24.149 2.224 10 2HE MET 1 HE2 MET 1 -5.844 -25.431 3.210 11 3HE MET 1 HE3 MET 1 -4.799 -24.362 2.274 12 H TYR 2 HN TYR 2 -1.882 -18.761 2.121 13 HA TYR 2 HA TYR 2 0.080 -18.272 4.267 14 1HB TYR 2 HB2 TYR 2 0.076 -17.580 1.356 15 2HB TYR 2 HB1 TYR 2 0.918 -16.522 2.484 16 HD1 TYR 2 HD1 TYR 2 0.906 -19.795 0.867 17 HD2 TYR 2 HD2 TYR 2 2.892 -17.315 3.698 18 HE1 TYR 2 HE1 TYR 2 2.851 -21.298 0.811 19 HE2 TYR 2 HE2 TYR 2 4.843 -18.813 3.649 20 HH TYR 2 HH TYR 2 5.702 -20.649 1.574 21 H GLY 3 HN GLY 3 -0.727 -16.943 5.752 22 1HA GLY 3 HA2 GLY 3 -2.182 -14.557 4.818 23 2HA GLY 3 HA1 GLY 3 -2.810 -15.518 6.146 24 H LYS 4 HN LYS 4 0.558 -15.462 6.200 25 HA LYS 4 HA LYS 4 0.508 -13.635 8.461 26 1HB LYS 4 HB2 LYS 4 1.738 -15.853 8.508 27 2HB LYS 4 HB1 LYS 4 2.883 -15.151 7.371 28 1HG LYS 4 HG2 LYS 4 3.892 -14.902 9.458 29 2HG LYS 4 HG1 LYS 4 3.220 -13.310 9.097 30 1HD LYS 4 HD2 LYS 4 1.291 -13.790 10.507 31 2HD LYS 4 HD1 LYS 4 1.919 -15.405 10.837 32 1HE LYS 4 HE2 LYS 4 3.425 -12.883 11.494 33 2HE LYS 4 HE1 LYS 4 2.329 -13.671 12.627 34 1HZ LYS 4 HZ1 LYS 4 4.551 -14.396 13.058 35 2HZ LYS 4 HZ2 LYS 4 4.791 -14.829 11.442 36 3HZ LYS 4 HZ3 LYS 4 3.698 -15.698 12.394 37 H LEU 5 HN LEU 5 1.306 -13.581 5.142 38 HA LEU 5 HA LEU 5 3.288 -11.627 5.074 39 1HB LEU 5 HB2 LEU 5 1.790 -12.952 3.193 40 2HB LEU 5 HB1 LEU 5 1.176 -11.316 3.050 41 HG LEU 5 HG LEU 5 2.936 -11.588 1.453 42 1HD1 LEU 5 HD11 LEU 5 4.086 -10.063 3.780 43 2HD1 LEU 5 HD12 LEU 5 2.801 -9.450 2.739 44 3HD1 LEU 5 HD13 LEU 5 4.393 -9.797 2.063 45 1HD2 LEU 5 HD21 LEU 5 4.012 -13.375 3.244 46 2HD2 LEU 5 HD22 LEU 5 5.138 -12.020 3.313 47 3HD2 LEU 5 HD23 LEU 5 4.788 -12.797 1.769 48 H ASN 6 HN ASN 6 0.027 -11.492 6.114 49 HA ASN 6 HA ASN 6 -0.589 -8.818 5.658 50 1HB ASN 6 HB2 ASN 6 -2.222 -9.062 7.484 51 2HB ASN 6 HB1 ASN 6 -2.298 -10.388 6.328 52 1HD2 ASN 6 HD21 ASN 6 -3.344 -10.570 8.883 53 2HD2 ASN 6 HD22 ASN 6 -2.427 -11.722 9.787 54 H ASP 7 HN ASP 7 0.998 -10.386 8.405 55 HA ASP 7 HA ASP 7 1.218 -8.257 10.141 56 1HB ASP 7 HB2 ASP 7 2.067 -10.728 10.331 57 2HB ASP 7 HB1 ASP 7 3.576 -10.064 9.712 58 H LEU 8 HN LEU 8 2.854 -8.826 7.140 59 HA LEU 8 HA LEU 8 4.782 -6.699 7.563 60 1HB LEU 8 HB2 LEU 8 5.602 -8.593 6.377 61 2HB LEU 8 HB1 LEU 8 4.231 -8.595 5.288 62 HG LEU 8 HG LEU 8 6.494 -7.778 4.397 63 1HD1 LEU 8 HD11 LEU 8 5.427 -6.569 2.776 64 2HD1 LEU 8 HD12 LEU 8 4.374 -5.746 3.924 65 3HD1 LEU 8 HD13 LEU 8 4.064 -7.427 3.492 66 1HD2 LEU 8 HD21 LEU 8 7.441 -5.926 5.189 67 2HD2 LEU 8 HD22 LEU 8 6.333 -6.055 6.554 68 3HD2 LEU 8 HD23 LEU 8 5.914 -5.043 5.172 69 H LEU 9 HN LEU 9 1.700 -7.223 6.011 70 HA LEU 9 HA LEU 9 1.800 -4.904 4.341 71 1HB LEU 9 HB2 LEU 9 -0.324 -6.824 5.190 72 2HB LEU 9 HB1 LEU 9 -0.801 -5.301 4.461 73 HG LEU 9 HG LEU 9 1.203 -7.040 3.074 74 1HD1 LEU 9 HD11 LEU 9 -0.948 -8.304 3.788 75 2HD1 LEU 9 HD12 LEU 9 -0.386 -8.416 2.121 76 3HD1 LEU 9 HD13 LEU 9 -1.720 -7.337 2.531 77 1HD2 LEU 9 HD21 LEU 9 -0.067 -6.009 1.103 78 2HD2 LEU 9 HD22 LEU 9 0.978 -4.951 2.051 79 3HD2 LEU 9 HD23 LEU 9 -0.769 -4.917 2.296 80 H GLU 10 HN GLU 10 0.557 -5.613 7.567 81 HA GLU 10 HA GLU 10 -0.991 -3.469 8.167 82 1HB GLU 10 HB2 GLU 10 -0.242 -5.385 9.687 83 2HB GLU 10 HB1 GLU 10 1.158 -4.391 10.066 84 1HG GLU 10 HG2 GLU 10 -0.268 -2.655 10.952 85 2HG GLU 10 HG1 GLU 10 -1.705 -3.564 10.486 86 H ASP 11 HN ASP 11 2.487 -3.457 7.772 87 HA ASP 11 HA ASP 11 2.873 -0.820 8.813 88 1HB ASP 11 HB2 ASP 11 4.545 -2.839 7.400 89 2HB ASP 11 HB1 ASP 11 5.071 -1.159 7.326 90 H LEU 12 HN LEU 12 2.851 -2.181 5.531 91 HA LEU 12 HA LEU 12 3.219 0.119 4.082 92 1HB LEU 12 HB2 LEU 12 3.189 -1.437 2.512 93 2HB LEU 12 HB1 LEU 12 2.401 -2.564 3.585 94 HG LEU 12 HG LEU 12 1.304 -2.231 1.362 95 1HD1 LEU 12 HD11 LEU 12 -0.778 -1.388 3.231 96 2HD1 LEU 12 HD12 LEU 12 0.195 -2.759 3.758 97 3HD1 LEU 12 HD13 LEU 12 -0.655 -2.825 2.217 98 1HD2 LEU 12 HD21 LEU 12 0.740 -0.247 0.585 99 2HD2 LEU 12 HD22 LEU 12 1.531 0.480 1.982 100 3HD2 LEU 12 HD23 LEU 12 -0.191 0.114 2.038 101 H GLN 13 HN GLN 13 0.153 -1.142 5.365 102 HA GLN 13 HA GLN 13 -1.398 0.945 4.181 103 1HB GLN 13 HB2 GLN 13 -2.426 -1.188 4.727 104 2HB GLN 13 HB1 GLN 13 -2.038 -0.979 6.427 105 1HG GLN 13 HG2 GLN 13 -3.493 1.295 5.703 106 2HG GLN 13 HG1 GLN 13 -4.320 -0.067 4.948 107 1HE2 GLN 13 HE21 GLN 13 -5.299 1.574 7.071 108 2HE2 GLN 13 HE22 GLN 13 -5.545 0.550 8.440 109 H GLU 14 HN GLU 14 0.091 0.460 7.355 110 HA GLU 14 HA GLU 14 -1.110 2.791 8.517 111 1HB GLU 14 HB2 GLU 14 -0.049 0.672 9.666 112 2HB GLU 14 HB1 GLU 14 1.438 1.602 9.549 113 1HG GLU 14 HG2 GLU 14 -0.111 3.470 10.630 114 2HG GLU 14 HG1 GLU 14 -0.953 2.044 11.230 115 H VAL 15 HN VAL 15 1.701 2.106 6.640 116 HA VAL 15 HA VAL 15 3.195 4.416 7.249 117 HB VAL 15 HB VAL 15 3.831 2.228 5.953 118 1HG1 VAL 15 HG11 VAL 15 3.213 2.017 3.847 119 2HG1 VAL 15 HG12 VAL 15 3.979 3.546 3.445 120 3HG1 VAL 15 HG13 VAL 15 2.297 3.514 3.958 121 1HG2 VAL 15 HG21 VAL 15 5.007 4.868 5.127 122 2HG2 VAL 15 HG22 VAL 15 5.810 3.295 5.166 123 3HG2 VAL 15 HG23 VAL 15 5.313 4.069 6.671 124 H LEU 16 HN LEU 16 0.415 3.844 5.303 125 HA LEU 16 HA LEU 16 0.616 6.068 3.574 126 1HB LEU 16 HB2 LEU 16 -1.560 4.226 4.428 127 2HB LEU 16 HB1 LEU 16 -2.027 5.737 3.672 128 HG LEU 16 HG LEU 16 -1.987 4.241 1.893 129 1HD1 LEU 16 HD11 LEU 16 -0.220 4.905 0.461 130 2HD1 LEU 16 HD12 LEU 16 0.838 5.263 1.824 131 3HD1 LEU 16 HD13 LEU 16 -0.569 6.279 1.510 132 1HD2 LEU 16 HD21 LEU 16 0.694 3.135 2.569 133 2HD2 LEU 16 HD22 LEU 16 -0.622 2.408 1.648 134 3HD2 LEU 16 HD23 LEU 16 -0.738 2.537 3.402 135 H LYS 17 HN LYS 17 -0.738 5.610 6.794 136 HA LYS 17 HA LYS 17 -2.207 7.873 7.194 137 1HB LYS 17 HB2 LYS 17 -1.846 6.141 8.911 138 2HB LYS 17 HB1 LYS 17 -0.197 6.707 9.132 139 1HG LYS 17 HG2 LYS 17 -1.408 7.637 10.903 140 2HG LYS 17 HG1 LYS 17 -1.210 8.953 9.744 141 1HD LYS 17 HD2 LYS 17 -3.644 7.251 9.546 142 2HD LYS 17 HD1 LYS 17 -3.550 8.427 10.859 143 1HE LYS 17 HE2 LYS 17 -2.776 9.456 8.219 144 2HE LYS 17 HE1 LYS 17 -4.464 8.965 8.355 145 1HZ LYS 17 HZ1 LYS 17 -3.026 11.083 9.802 146 2HZ LYS 17 HZ2 LYS 17 -4.369 10.351 10.524 147 3HZ LYS 17 HZ3 LYS 17 -4.534 11.142 9.037 148 H ASN 18 HN ASN 18 1.255 7.579 6.937 149 HA ASN 18 HA ASN 18 1.825 10.292 7.733 150 1HB ASN 18 HB2 ASN 18 3.489 8.177 6.339 151 2HB ASN 18 HB1 ASN 18 4.107 9.765 6.787 152 1HD2 ASN 18 HD21 ASN 18 2.932 6.706 7.973 153 2HD2 ASN 18 HD22 ASN 18 3.556 6.862 9.575 154 H LEU 19 HN LEU 19 1.655 8.499 4.708 155 HA LEU 19 HA LEU 19 2.423 10.374 2.877 156 1HB LEU 19 HB2 LEU 19 1.970 8.554 1.680 157 2HB LEU 19 HB1 LEU 19 0.896 7.934 2.911 158 HG LEU 19 HG LEU 19 -0.161 10.031 1.078 159 1HD1 LEU 19 HD11 LEU 19 0.681 8.768 -0.637 160 2HD1 LEU 19 HD12 LEU 19 -0.854 7.951 -0.360 161 3HD1 LEU 19 HD13 LEU 19 0.638 7.274 0.292 162 1HD2 LEU 19 HD21 LEU 19 -2.049 8.163 1.295 163 2HD2 LEU 19 HD22 LEU 19 -1.831 9.448 2.482 164 3HD2 LEU 19 HD23 LEU 19 -1.165 7.843 2.785 165 H HIS 20 HN HIS 20 -0.761 10.046 4.380 166 HA HIS 20 HA HIS 20 -2.271 11.826 2.947 167 1HB HIS 20 HB2 HIS 20 -2.212 11.212 5.892 168 2HB HIS 20 HB1 HIS 20 -3.378 12.340 5.216 169 HD1 HIS 20 HD1 HIS 20 -5.385 11.369 4.017 170 HD2 HIS 20 HD2 HIS 20 -2.595 8.497 5.122 171 HE1 HIS 20 HE1 HIS 20 -6.535 9.156 3.695 172 HE2 HIS 20 HE2 HIS 20 -4.855 7.436 4.447 173 H LYS 21 HN LYS 21 -0.004 12.577 5.551 174 HA LYS 21 HA LYS 21 -0.589 15.399 5.411 175 1HB LYS 21 HB2 LYS 21 1.627 14.118 6.985 176 2HB LYS 21 HB1 LYS 21 0.776 15.623 7.320 177 1HG LYS 21 HG2 LYS 21 -0.523 12.914 7.386 178 2HG LYS 21 HG1 LYS 21 0.164 13.715 8.800 179 1HD LYS 21 HD2 LYS 21 -1.918 14.546 9.052 180 2HD LYS 21 HD1 LYS 21 -1.412 15.690 7.809 181 1HE LYS 21 HE2 LYS 21 -3.474 14.898 7.043 182 2HE LYS 21 HE1 LYS 21 -2.299 13.959 6.131 183 1HZ LYS 21 HZ1 LYS 21 -2.615 12.116 7.616 184 2HZ LYS 21 HZ2 LYS 21 -4.124 12.608 7.033 185 3HZ LYS 21 HZ3 LYS 21 -3.649 13.021 8.603 186 H ASN 22 HN ASN 22 1.173 13.592 3.367 187 HA ASN 22 HA ASN 22 2.865 15.879 2.729 188 1HB ASN 22 HB2 ASN 22 3.915 13.120 3.307 189 2HB ASN 22 HB1 ASN 22 4.821 14.289 2.353 190 1HD2 ASN 22 HD21 ASN 22 3.270 13.799 5.482 191 2HD2 ASN 22 HD22 ASN 22 4.331 14.831 6.372 192 H TRP 23 HN TRP 23 0.566 14.030 1.602 193 HA TRP 23 HA TRP 23 1.781 13.215 -0.895 194 1HB TRP 23 HB2 TRP 23 -0.048 11.924 -1.211 195 2HB TRP 23 HB1 TRP 23 -0.295 12.196 0.506 196 HD1 TRP 23 HD1 TRP 23 -2.542 13.206 1.156 197 HE1 TRP 23 HE1 TRP 23 -4.502 14.291 -0.075 198 HE3 TRP 23 HE3 TRP 23 -0.469 13.404 -3.448 199 HZ2 TRP 23 HZ2 TRP 23 -5.093 15.109 -2.749 200 HZ3 TRP 23 HZ3 TRP 23 -1.765 14.310 -5.301 201 HH2 TRP 23 HH2 TRP 23 -4.039 15.159 -4.972 202 H HIS 24 HN HIS 24 -0.221 15.817 0.309 203 HA HIS 24 HA HIS 24 0.489 17.588 -1.736 204 1HB HIS 24 HB2 HIS 24 -0.937 16.141 -3.141 205 2HB HIS 24 HB1 HIS 24 -2.292 16.439 -2.059 206 HD1 HIS 24 HD1 HIS 24 -1.609 17.302 -5.229 207 HD2 HIS 24 HD2 HIS 24 -2.161 19.684 -1.869 208 HE1 HIS 24 HE1 HIS 24 -2.270 19.563 -6.108 209 HE2 HIS 24 HE2 HIS 24 -2.510 21.010 -4.061 210 H GLY 25 HN GLY 25 -2.304 16.721 0.298 211 1HA GLY 25 HA2 GLY 25 -2.173 18.436 2.311 212 2HA GLY 25 HA1 GLY 25 -2.651 19.527 1.021 213 H GLY 26 HN GLY 26 -3.954 18.411 3.551 214 1HA GLY 26 HA2 GLY 26 -6.119 18.014 4.203 215 2HA GLY 26 HA1 GLY 26 -6.605 18.415 2.563 216 H LYS 27 HN LYS 27 -6.182 15.939 4.847 217 HA LYS 27 HA LYS 27 -5.785 13.672 3.314 218 1HB LYS 27 HB2 LYS 27 -5.756 13.325 5.618 219 2HB LYS 27 HB1 LYS 27 -7.268 14.185 5.869 220 1HG LYS 27 HG2 LYS 27 -8.553 12.369 5.319 221 2HG LYS 27 HG1 LYS 27 -7.302 11.654 4.301 222 1HD LYS 27 HD2 LYS 27 -6.038 10.979 6.226 223 2HD LYS 27 HD1 LYS 27 -7.119 11.865 7.304 224 1HE LYS 27 HE2 LYS 27 -8.969 10.356 6.388 225 2HE LYS 27 HE1 LYS 27 -7.666 9.358 5.745 226 1HZ LYS 27 HZ1 LYS 27 -8.145 10.031 8.596 227 2HZ LYS 27 HZ2 LYS 27 -6.784 9.201 8.031 228 3HZ LYS 27 HZ3 LYS 27 -8.321 8.513 7.868 229 H ASP 28 HN ASP 28 -8.549 15.744 3.466 230 HA ASP 28 HA ASP 28 -10.629 14.102 2.724 231 1HB ASP 28 HB2 ASP 28 -10.014 16.954 2.499 232 2HB ASP 28 HB1 ASP 28 -11.090 16.380 1.229 233 H ASN 29 HN ASN 29 -7.958 15.277 0.786 234 HA ASN 29 HA ASN 29 -9.133 14.285 -1.677 235 1HB ASN 29 HB2 ASN 29 -6.379 15.427 -1.152 236 2HB ASN 29 HB1 ASN 29 -7.065 15.081 -2.737 237 1HD2 ASN 29 HD21 ASN 29 -8.974 16.276 -3.366 238 2HD2 ASN 29 HD22 ASN 29 -9.195 17.886 -2.779 239 H LEU 30 HN LEU 30 -6.377 13.486 0.431 240 HA LEU 30 HA LEU 30 -5.464 11.273 -1.040 241 1HB LEU 30 HB2 LEU 30 -4.389 12.483 0.984 242 2HB LEU 30 HB1 LEU 30 -5.354 11.404 1.957 243 HG LEU 30 HG LEU 30 -2.948 10.715 1.552 244 1HD1 LEU 30 HD11 LEU 30 -5.365 9.180 1.570 245 2HD1 LEU 30 HD12 LEU 30 -3.809 8.827 2.309 246 3HD1 LEU 30 HD13 LEU 30 -4.121 8.346 0.643 247 1HD2 LEU 30 HD21 LEU 30 -2.829 11.251 -0.837 248 2HD2 LEU 30 HD22 LEU 30 -4.023 10.008 -1.174 249 3HD2 LEU 30 HD23 LEU 30 -2.440 9.558 -0.534 250 H HIS 31 HN HIS 31 -8.088 11.701 1.207 251 HA HIS 31 HA HIS 31 -8.666 9.184 2.076 252 1HB HIS 31 HB2 HIS 31 -9.961 11.288 2.567 253 2HB HIS 31 HB1 HIS 31 -10.755 11.091 1.008 254 HD1 HIS 31 HD1 HIS 31 -13.047 10.822 2.206 255 HD2 HIS 31 HD2 HIS 31 -10.254 7.898 3.157 256 HE1 HIS 31 HE1 HIS 31 -14.346 9.001 3.355 257 HE2 HIS 31 HE2 HIS 31 -12.651 7.198 3.829 258 H ASP 32 HN ASP 32 -9.866 10.587 -0.982 259 HA ASP 32 HA ASP 32 -11.053 8.241 -1.941 260 1HB ASP 32 HB2 ASP 32 -10.255 10.842 -3.067 261 2HB ASP 32 HB1 ASP 32 -10.313 9.526 -4.238 262 H VAL 33 HN VAL 33 -7.761 9.208 -1.786 263 HA VAL 33 HA VAL 33 -6.841 7.282 -3.740 264 HB VAL 33 HB VAL 33 -5.657 9.469 -2.173 265 1HG1 VAL 33 HG11 VAL 33 -4.112 6.970 -2.765 266 2HG1 VAL 33 HG12 VAL 33 -4.171 7.900 -1.269 267 3HG1 VAL 33 HG13 VAL 33 -3.326 8.545 -2.678 268 1HG2 VAL 33 HG21 VAL 33 -5.044 8.318 -4.876 269 2HG2 VAL 33 HG22 VAL 33 -4.477 9.868 -4.243 270 3HG2 VAL 33 HG23 VAL 33 -6.197 9.614 -4.551 271 H ASP 34 HN ASP 34 -6.016 7.787 -0.284 272 HA ASP 34 HA ASP 34 -4.989 5.212 0.076 273 1HB ASP 34 HB2 ASP 34 -4.345 6.645 1.774 274 2HB ASP 34 HB1 ASP 34 -5.959 7.338 1.946 275 H ASN 35 HN ASN 35 -8.260 6.347 -0.128 276 HA ASN 35 HA ASN 35 -9.600 4.307 1.266 277 1HB ASN 35 HB2 ASN 35 -10.306 6.156 -0.962 278 2HB ASN 35 HB1 ASN 35 -11.309 4.722 -0.777 279 1HD2 ASN 35 HD21 ASN 35 -12.253 7.321 -0.450 280 2HD2 ASN 35 HD22 ASN 35 -12.714 7.536 1.201 281 H HIS 36 HN HIS 36 -8.228 4.536 -1.942 282 HA HIS 36 HA HIS 36 -9.060 1.994 -2.896 283 1HB HIS 36 HB2 HIS 36 -7.472 4.210 -3.832 284 2HB HIS 36 HB1 HIS 36 -6.579 2.713 -4.089 285 HD1 HIS 36 HD1 HIS 36 -9.292 1.040 -4.637 286 HD2 HIS 36 HD2 HIS 36 -8.027 4.503 -6.554 287 HE1 HIS 36 HE1 HIS 36 -10.453 1.036 -6.868 288 HE2 HIS 36 HE2 HIS 36 -9.614 3.103 -8.040 289 H LEU 37 HN LEU 37 -6.160 3.276 -1.346 290 HA LEU 37 HA LEU 37 -4.605 0.955 -1.270 291 1HB LEU 37 HB2 LEU 37 -4.045 3.380 -0.585 292 2HB LEU 37 HB1 LEU 37 -4.687 2.941 0.981 293 HG LEU 37 HG LEU 37 -2.558 2.438 1.448 294 1HD1 LEU 37 HD11 LEU 37 -3.548 0.238 1.486 295 2HD1 LEU 37 HD12 LEU 37 -1.882 0.132 0.920 296 3HD1 LEU 37 HD13 LEU 37 -3.212 0.026 -0.232 297 1HD2 LEU 37 HD21 LEU 37 -1.314 3.317 -0.223 298 2HD2 LEU 37 HD22 LEU 37 -2.255 2.524 -1.488 299 3HD2 LEU 37 HD23 LEU 37 -1.040 1.613 -0.590 300 H GLN 38 HN GLN 38 -6.409 2.285 1.499 301 HA GLN 38 HA GLN 38 -6.263 0.195 3.230 302 1HB GLN 38 HB2 GLN 38 -7.312 2.329 3.795 303 2HB GLN 38 HB1 GLN 38 -8.672 1.956 2.747 304 1HG GLN 38 HG2 GLN 38 -9.339 1.557 4.992 305 2HG GLN 38 HG1 GLN 38 -9.170 -0.004 4.191 306 1HE2 GLN 38 HE21 GLN 38 -7.177 -1.190 4.577 307 2HE2 GLN 38 HE22 GLN 38 -6.389 -1.035 6.107 308 H ASN 39 HN ASN 39 -8.555 0.550 0.563 309 HA ASN 39 HA ASN 39 -10.107 -1.737 1.116 310 1HB ASN 39 HB2 ASN 39 -10.567 0.185 -0.551 311 2HB ASN 39 HB1 ASN 39 -9.570 -0.735 -1.675 312 1HD2 ASN 39 HD21 ASN 39 -10.408 -2.475 -2.679 313 2HD2 ASN 39 HD22 ASN 39 -12.027 -3.039 -2.463 314 H VAL 40 HN VAL 40 -7.019 -1.294 -0.429 315 HA VAL 40 HA VAL 40 -6.818 -3.761 -1.767 316 HB VAL 40 HB VAL 40 -4.633 -2.048 -0.563 317 1HG1 VAL 40 HG11 VAL 40 -3.625 -3.451 -2.754 318 2HG1 VAL 40 HG12 VAL 40 -4.511 -4.640 -1.800 319 3HG1 VAL 40 HG13 VAL 40 -3.226 -3.688 -1.051 320 1HG2 VAL 40 HG21 VAL 40 -4.467 -1.712 -3.244 321 2HG2 VAL 40 HG22 VAL 40 -5.350 -0.637 -2.161 322 3HG2 VAL 40 HG23 VAL 40 -6.208 -1.903 -3.038 323 H ILE 41 HN ILE 41 -5.565 -2.758 1.410 324 HA ILE 41 HA ILE 41 -4.405 -5.024 2.332 325 HB ILE 41 HB ILE 41 -6.265 -3.400 4.059 326 1HG1 ILE 41 HG12 ILE 41 -4.915 -1.789 2.927 327 2HG1 ILE 41 HG11 ILE 41 -4.204 -2.011 4.520 328 1HG2 ILE 41 HG21 ILE 41 -3.648 -4.589 4.876 329 2HG2 ILE 41 HG22 ILE 41 -5.119 -5.561 4.864 330 3HG2 ILE 41 HG23 ILE 41 -5.023 -4.119 5.876 331 1HD1 ILE 41 HD11 ILE 41 -3.205 -3.436 2.074 332 2HD1 ILE 41 HD12 ILE 41 -2.418 -3.284 3.644 333 3HD1 ILE 41 HD13 ILE 41 -2.591 -1.870 2.605 334 H GLU 42 HN GLU 42 -7.902 -4.362 2.438 335 HA GLU 42 HA GLU 42 -8.565 -6.815 3.710 336 1HB GLU 42 HB2 GLU 42 -10.848 -6.252 3.287 337 2HB GLU 42 HB1 GLU 42 -10.014 -4.752 3.661 338 1HG GLU 42 HG2 GLU 42 -10.372 -3.886 1.623 339 2HG GLU 42 HG1 GLU 42 -10.156 -5.431 0.804 340 H ASP 43 HN ASP 43 -8.044 -5.859 0.418 341 HA ASP 43 HA ASP 43 -9.156 -8.287 -0.672 342 1HB ASP 43 HB2 ASP 43 -7.921 -5.815 -1.758 343 2HB ASP 43 HB1 ASP 43 -7.733 -7.273 -2.727 344 H ILE 44 HN ILE 44 -6.106 -7.141 0.496 345 HA ILE 44 HA ILE 44 -4.618 -9.302 -0.754 346 HB ILE 44 HB ILE 44 -3.572 -7.404 1.346 347 1HG1 ILE 44 HG12 ILE 44 -4.364 -5.933 -0.330 348 2HG1 ILE 44 HG11 ILE 44 -2.654 -6.133 -0.668 349 1HG2 ILE 44 HG21 ILE 44 -2.378 -9.310 -0.604 350 2HG2 ILE 44 HG22 ILE 44 -1.971 -9.025 1.088 351 3HG2 ILE 44 HG23 ILE 44 -1.474 -7.867 -0.147 352 1HD1 ILE 44 HD11 ILE 44 -3.314 -7.884 -2.352 353 2HD1 ILE 44 HD12 ILE 44 -3.762 -6.223 -2.740 354 3HD1 ILE 44 HD13 ILE 44 -4.978 -7.343 -2.127 355 H HIS 45 HN HIS 45 -5.841 -8.387 2.423 356 HA HIS 45 HA HIS 45 -4.630 -10.613 3.769 357 1HB HIS 45 HB2 HIS 45 -6.783 -8.698 4.673 358 2HB HIS 45 HB1 HIS 45 -5.981 -9.878 5.707 359 HD1 HIS 45 HD1 HIS 45 -5.033 -7.955 7.190 360 HD2 HIS 45 HD2 HIS 45 -3.777 -7.892 3.233 361 HE1 HIS 45 HE1 HIS 45 -3.096 -6.353 7.131 362 HE2 HIS 45 HE2 HIS 45 -2.468 -6.203 4.696 363 H ASP 46 HN ASP 46 -7.880 -9.847 2.592 364 HA ASP 46 HA ASP 46 -9.036 -12.248 3.610 365 1HB ASP 46 HB2 ASP 46 -10.214 -10.042 2.928 366 2HB ASP 46 HB1 ASP 46 -10.153 -10.689 1.292 367 H PHE 47 HN PHE 47 -7.329 -11.362 0.718 368 HA PHE 47 HA PHE 47 -8.144 -13.793 -0.664 369 1HB PHE 47 HB2 PHE 47 -6.403 -11.476 -1.453 370 2HB PHE 47 HB1 PHE 47 -6.535 -12.922 -2.443 371 HD1 PHE 47 HD1 PHE 47 -7.848 -12.554 -4.282 372 HD2 PHE 47 HD2 PHE 47 -9.008 -10.842 -0.562 373 HE1 PHE 47 HE1 PHE 47 -9.889 -11.670 -5.329 374 HE2 PHE 47 HE2 PHE 47 -11.051 -9.955 -1.603 375 HZ PHE 47 HZ PHE 47 -11.495 -10.369 -3.990 376 H MET 48 HN MET 48 -5.127 -12.445 0.678 377 HA MET 48 HA MET 48 -3.307 -14.346 -0.080 378 1HB MET 48 HB2 MET 48 -2.010 -13.796 1.864 379 2HB MET 48 HB1 MET 48 -2.778 -12.336 1.264 380 1HG MET 48 HG2 MET 48 -4.493 -12.539 3.001 381 2HG MET 48 HG1 MET 48 -3.688 -13.983 3.612 382 1HE MET 48 HE1 MET 48 -0.886 -13.684 3.600 383 2HE MET 48 HE2 MET 48 -0.141 -12.316 4.421 384 3HE MET 48 HE3 MET 48 -0.584 -12.185 2.722 385 H GLN 49 HN GLN 49 -5.698 -14.613 2.500 386 HA GLN 49 HA GLN 49 -4.750 -17.020 3.613 387 1HB GLN 49 HB2 GLN 49 -6.853 -15.234 4.108 388 2HB GLN 49 HB1 GLN 49 -7.627 -16.783 3.800 389 1HG GLN 49 HG2 GLN 49 -5.539 -16.174 5.877 390 2HG GLN 49 HG1 GLN 49 -7.238 -16.561 6.146 391 1HE2 GLN 49 HE21 GLN 49 -4.616 -17.835 6.943 392 2HE2 GLN 49 HE22 GLN 49 -4.804 -19.496 6.507 393 H GLY 50 HN GLY 50 -6.469 -16.371 0.709 394 1HA GLY 50 HA2 GLY 50 -6.236 -18.402 -0.815 395 2HA GLY 50 HA1 GLY 50 -7.156 -19.224 0.434 396 H GLY 51 HN GLY 51 -7.880 -15.907 -0.339 397 1HA GLY 51 HA2 GLY 51 -10.451 -16.809 -1.445 398 2HA GLY 51 HA1 GLY 51 -10.145 -15.236 -0.722 399 H GLY 52 HN GLY 52 -8.079 -16.819 -3.090 400 1HA GLY 52 HA2 GLY 52 -8.144 -16.409 -5.457 401 2HA GLY 52 HA1 GLY 52 -8.994 -14.905 -5.132 402 H SER 53 HN SER 53 -6.165 -15.976 -3.361 403 HA SER 53 HA SER 53 -4.812 -13.546 -3.632 404 1HB SER 53 HB2 SER 53 -2.866 -14.731 -2.707 405 2HB SER 53 HB1 SER 53 -4.338 -15.159 -1.835 406 HG SER 53 HG SER 53 -3.234 -16.698 -3.948 407 H GLY 54 HN GLY 54 -5.025 -16.244 -5.775 408 1HA GLY 54 HA2 GLY 54 -2.655 -15.437 -7.276 409 2HA GLY 54 HA1 GLY 54 -3.657 -16.846 -7.593 410 H GLY 55 HN GLY 55 -3.649 -13.303 -7.768 411 1HA GLY 55 HA2 GLY 55 -4.176 -12.748 -10.277 412 2HA GLY 55 HA1 GLY 55 -5.740 -13.407 -9.820 413 H LYS 56 HN LYS 56 -5.110 -12.182 -7.034 414 HA LYS 56 HA LYS 56 -6.400 -9.644 -7.618 415 1HB LYS 56 HB2 LYS 56 -6.719 -9.482 -5.200 416 2HB LYS 56 HB1 LYS 56 -7.271 -11.042 -5.795 417 1HG LYS 56 HG2 LYS 56 -6.113 -11.791 -4.013 418 2HG LYS 56 HG1 LYS 56 -4.763 -11.695 -5.139 419 1HD LYS 56 HD2 LYS 56 -4.196 -9.478 -4.277 420 2HD LYS 56 HD1 LYS 56 -5.570 -9.550 -3.176 421 1HE LYS 56 HE2 LYS 56 -3.387 -10.090 -2.111 422 2HE LYS 56 HE1 LYS 56 -4.589 -11.368 -1.965 423 1HZ LYS 56 HZ1 LYS 56 -3.152 -12.753 -2.885 424 2HZ LYS 56 HZ2 LYS 56 -2.017 -11.514 -3.068 425 3HZ LYS 56 HZ3 LYS 56 -3.130 -11.828 -4.300 426 H LEU 57 HN LEU 57 -3.396 -10.845 -6.217 427 HA LEU 57 HA LEU 57 -2.405 -8.337 -5.406 428 1HB LEU 57 HB2 LEU 57 -1.628 -10.789 -4.882 429 2HB LEU 57 HB1 LEU 57 -0.561 -10.517 -6.245 430 HG LEU 57 HG LEU 57 0.222 -8.420 -5.029 431 1HD1 LEU 57 HD11 LEU 57 -0.091 -9.025 -2.423 432 2HD1 LEU 57 HD12 LEU 57 -1.649 -9.555 -3.059 433 3HD1 LEU 57 HD13 LEU 57 -1.119 -7.891 -3.299 434 1HD2 LEU 57 HD21 LEU 57 0.980 -11.133 -4.823 435 2HD2 LEU 57 HD22 LEU 57 1.152 -10.418 -3.220 436 3HD2 LEU 57 HD23 LEU 57 1.980 -9.698 -4.600 437 H GLN 58 HN GLN 58 -2.892 -9.504 -8.537 438 HA GLN 58 HA GLN 58 -0.615 -8.104 -9.646 439 1HB GLN 58 HB2 GLN 58 -1.679 -8.758 -11.865 440 2HB GLN 58 HB1 GLN 58 -1.136 -10.077 -10.839 441 1HG GLN 58 HG2 GLN 58 -3.386 -10.520 -10.132 442 2HG GLN 58 HG1 GLN 58 -3.979 -9.112 -11.009 443 1HE2 GLN 58 HE21 GLN 58 -3.818 -9.136 -13.329 444 2HE2 GLN 58 HE22 GLN 58 -3.871 -10.640 -14.177 445 H GLU 59 HN GLU 59 -4.150 -7.793 -9.758 446 HA GLU 59 HA GLU 59 -3.910 -5.164 -10.967 447 1HB GLU 59 HB2 GLU 59 -6.226 -6.947 -10.262 448 2HB GLU 59 HB1 GLU 59 -6.483 -5.257 -10.674 449 1HG GLU 59 HG2 GLU 59 -5.953 -5.562 -12.864 450 2HG GLU 59 HG1 GLU 59 -4.849 -6.895 -12.526 451 H MET 60 HN MET 60 -4.552 -6.626 -7.869 452 HA MET 60 HA MET 60 -5.479 -4.196 -6.653 453 1HB MET 60 HB2 MET 60 -6.081 -6.542 -5.894 454 2HB MET 60 HB1 MET 60 -4.464 -6.639 -5.211 455 1HG MET 60 HG2 MET 60 -5.743 -5.994 -3.404 456 2HG MET 60 HG1 MET 60 -5.080 -4.466 -3.985 457 1HE MET 60 HE1 MET 60 -9.348 -5.931 -4.864 458 2HE MET 60 HE2 MET 60 -7.910 -6.929 -4.653 459 3HE MET 60 HE3 MET 60 -8.146 -6.029 -6.151 460 H MET 61 HN MET 61 -2.375 -5.861 -6.980 461 HA MET 61 HA MET 61 -0.977 -4.507 -4.972 462 1HB MET 61 HB2 MET 61 0.144 -6.300 -6.034 463 2HB MET 61 HB1 MET 61 -0.071 -5.597 -7.632 464 1HG MET 61 HG2 MET 61 1.411 -3.801 -5.957 465 2HG MET 61 HG1 MET 61 2.150 -5.400 -5.935 466 1HE MET 61 HE1 MET 61 2.577 -6.744 -7.747 467 2HE MET 61 HE2 MET 61 3.909 -6.024 -8.652 468 3HE MET 61 HE3 MET 61 2.378 -6.363 -9.457 469 H LYS 62 HN LYS 62 -1.695 -3.560 -8.301 470 HA LYS 62 HA LYS 62 -0.229 -1.126 -8.226 471 1HB LYS 62 HB2 LYS 62 -2.009 -2.502 -10.074 472 2HB LYS 62 HB1 LYS 62 -2.296 -0.767 -10.064 473 1HG LYS 62 HG2 LYS 62 -0.676 -1.456 -11.775 474 2HG LYS 62 HG1 LYS 62 0.016 -0.338 -10.598 475 1HD LYS 62 HD2 LYS 62 1.066 -2.196 -9.426 476 2HD LYS 62 HD1 LYS 62 0.336 -3.338 -10.554 477 1HE LYS 62 HE2 LYS 62 1.610 -1.572 -12.224 478 2HE LYS 62 HE1 LYS 62 2.709 -1.662 -10.848 479 1HZ LYS 62 HZ1 LYS 62 3.139 -3.857 -11.214 480 2HZ LYS 62 HZ2 LYS 62 2.865 -3.361 -12.808 481 3HZ LYS 62 HZ3 LYS 62 1.646 -4.160 -11.951 482 H GLU 63 HN GLU 63 -3.356 -2.120 -7.129 483 HA GLU 63 HA GLU 63 -4.612 0.396 -6.969 484 1HB GLU 63 HB2 GLU 63 -5.667 -1.926 -6.779 485 2HB GLU 63 HB1 GLU 63 -5.138 -1.906 -5.103 486 1HG GLU 63 HG2 GLU 63 -7.181 -1.051 -4.754 487 2HG GLU 63 HG1 GLU 63 -6.396 0.461 -5.209 488 H PHE 64 HN PHE 64 -2.433 -1.323 -4.807 489 HA PHE 64 HA PHE 64 -2.790 0.661 -2.728 490 1HB PHE 64 HB2 PHE 64 -1.650 -0.784 -1.306 491 2HB PHE 64 HB1 PHE 64 -2.428 -1.901 -2.418 492 HD1 PHE 64 HD1 PHE 64 0.810 -0.117 -1.912 493 HD2 PHE 64 HD2 PHE 64 -1.215 -3.551 -3.392 494 HE1 PHE 64 HE1 PHE 64 2.972 -1.197 -2.369 495 HE2 PHE 64 HE2 PHE 64 0.942 -4.631 -3.861 496 HZ PHE 64 HZ PHE 64 3.037 -3.454 -3.339 497 H GLN 65 HN GLN 65 -0.631 -0.047 -5.329 498 HA GLN 65 HA GLN 65 1.470 1.692 -4.375 499 1HB GLN 65 HB2 GLN 65 1.712 -0.399 -5.889 500 2HB GLN 65 HB1 GLN 65 1.224 0.676 -7.192 501 1HG GLN 65 HG2 GLN 65 3.133 2.193 -6.307 502 2HG GLN 65 HG1 GLN 65 3.707 0.712 -5.541 503 1HE2 GLN 65 HE21 GLN 65 4.097 2.585 -8.152 504 2HE2 GLN 65 HE22 GLN 65 4.621 1.411 -9.305 505 H GLN 66 HN GLN 66 -1.269 1.859 -6.555 506 HA GLN 66 HA GLN 66 -0.628 4.161 -7.989 507 1HB GLN 66 HB2 GLN 66 -2.578 2.594 -8.377 508 2HB GLN 66 HB1 GLN 66 -3.411 3.436 -7.078 509 1HG GLN 66 HG2 GLN 66 -2.406 5.366 -8.910 510 2HG GLN 66 HG1 GLN 66 -3.265 4.119 -9.814 511 1HE2 GLN 66 HE21 GLN 66 -3.800 7.011 -8.935 512 2HE2 GLN 66 HE22 GLN 66 -5.418 6.950 -8.334 513 H VAL 67 HN VAL 67 -2.100 3.805 -4.802 514 HA VAL 67 HA VAL 67 -2.948 6.386 -4.288 515 HB VAL 67 HB VAL 67 -1.746 4.264 -2.519 516 1HG1 VAL 67 HG11 VAL 67 -3.021 6.059 -0.816 517 2HG1 VAL 67 HG12 VAL 67 -2.002 7.061 -1.847 518 3HG1 VAL 67 HG13 VAL 67 -1.291 5.741 -0.924 519 1HG2 VAL 67 HG21 VAL 67 -4.351 4.961 -1.749 520 2HG2 VAL 67 HG22 VAL 67 -3.825 3.505 -2.592 521 3HG2 VAL 67 HG23 VAL 67 -4.355 4.914 -3.511 522 H LEU 68 HN LEU 68 0.312 5.038 -3.943 523 HA LEU 68 HA LEU 68 1.520 7.392 -2.927 524 1HB LEU 68 HB2 LEU 68 2.431 4.804 -4.027 525 2HB LEU 68 HB1 LEU 68 3.587 6.127 -4.052 526 HG LEU 68 HG LEU 68 2.619 6.315 -1.508 527 1HD1 LEU 68 HD11 LEU 68 3.127 3.558 -1.198 528 2HD1 LEU 68 HD12 LEU 68 1.877 3.718 -2.428 529 3HD1 LEU 68 HD13 LEU 68 1.645 4.443 -0.837 530 1HD2 LEU 68 HD21 LEU 68 4.835 6.314 -1.307 531 2HD2 LEU 68 HD22 LEU 68 5.032 5.463 -2.838 532 3HD2 LEU 68 HD23 LEU 68 4.792 4.553 -1.347 533 H ASP 69 HN ASP 69 0.356 6.629 -6.035 534 HA ASP 69 HA ASP 69 2.207 8.097 -7.612 535 1HB ASP 69 HB2 ASP 69 0.349 6.385 -8.328 536 2HB ASP 69 HB1 ASP 69 -0.682 7.813 -8.375 537 H GLU 70 HN GLU 70 -1.096 8.882 -6.522 538 HA GLU 70 HA GLU 70 -1.184 11.566 -7.258 539 1HB GLU 70 HB2 GLU 70 -2.937 9.934 -6.072 540 2HB GLU 70 HB1 GLU 70 -2.340 10.735 -4.621 541 1HG GLU 70 HG2 GLU 70 -3.968 12.183 -5.031 542 2HG GLU 70 HG1 GLU 70 -2.838 12.862 -6.202 543 H LEU 71 HN LEU 71 0.137 9.964 -4.495 544 HA LEU 71 HA LEU 71 0.795 12.233 -2.945 545 1HB LEU 71 HB2 LEU 71 0.431 10.235 -1.827 546 2HB LEU 71 HB1 LEU 71 1.413 9.320 -2.945 547 HG LEU 71 HG LEU 71 3.255 11.002 -1.788 548 1HD1 LEU 71 HD11 LEU 71 2.388 11.781 0.113 549 2HD1 LEU 71 HD12 LEU 71 2.435 10.118 0.700 550 3HD1 LEU 71 HD13 LEU 71 0.966 10.753 -0.034 551 1HD2 LEU 71 HD21 LEU 71 2.383 8.182 -1.353 552 2HD2 LEU 71 HD22 LEU 71 3.690 8.859 -0.389 553 3HD2 LEU 71 HD23 LEU 71 3.831 8.791 -2.146 554 H ASN 72 HN ASN 72 3.054 9.862 -4.350 555 HA ASN 72 HA ASN 72 5.358 11.330 -4.061 556 1HB ASN 72 HB2 ASN 72 4.822 8.888 -5.060 557 2HB ASN 72 HB1 ASN 72 5.175 9.743 -6.558 558 1HD2 ASN 72 HD21 ASN 72 7.141 11.433 -5.912 559 2HD2 ASN 72 HD22 ASN 72 8.538 10.579 -5.362 560 H ASN 73 HN ASN 73 2.858 11.756 -6.430 561 HA ASN 73 HA ASN 73 4.522 13.514 -8.048 562 1HB ASN 73 HB2 ASN 73 1.744 12.408 -8.334 563 2HB ASN 73 HB1 ASN 73 2.269 13.770 -9.319 564 1HD2 ASN 73 HD21 ASN 73 3.548 10.630 -8.261 565 2HD2 ASN 73 HD22 ASN 73 4.138 10.157 -9.816 566 H HIS 74 HN HIS 74 3.316 14.000 -5.177 567 HA HIS 74 HA HIS 74 2.892 16.824 -5.617 568 1HB HIS 74 HB2 HIS 74 0.672 15.019 -4.681 569 2HB HIS 74 HB1 HIS 74 0.707 16.732 -4.274 570 HD1 HIS 74 HD1 HIS 74 0.949 18.330 -6.539 571 HD2 HIS 74 HD2 HIS 74 -0.624 14.510 -6.993 572 HE1 HIS 74 HE1 HIS 74 -0.288 18.368 -8.729 573 HE2 HIS 74 HE2 HIS 74 -1.180 16.029 -9.012 574 H LEU 75 HN LEU 75 4.801 15.116 -4.175 575 HA LEU 75 HA LEU 75 4.451 15.077 -1.414 576 1HB LEU 75 HB2 LEU 75 6.673 15.009 -3.261 577 2HB LEU 75 HB1 LEU 75 7.084 15.968 -1.854 578 HG LEU 75 HG LEU 75 7.812 13.843 -1.299 579 1HD1 LEU 75 HD11 LEU 75 5.175 13.389 -0.092 580 2HD1 LEU 75 HD12 LEU 75 5.892 14.971 0.210 581 3HD1 LEU 75 HD13 LEU 75 6.764 13.505 0.662 582 1HD2 LEU 75 HD21 LEU 75 6.690 11.796 -1.746 583 2HD2 LEU 75 HD22 LEU 75 6.662 12.747 -3.230 584 3HD2 LEU 75 HD23 LEU 75 5.217 12.641 -2.224 585 H GLN 76 HN GLN 76 3.175 16.896 -0.927 586 HA GLN 76 HA GLN 76 4.157 19.537 -1.431 587 1HB GLN 76 HB2 GLN 76 1.691 18.335 -0.395 588 2HB GLN 76 HB1 GLN 76 2.106 19.867 0.361 589 1HG GLN 76 HG2 GLN 76 2.389 19.940 -2.527 590 2HG GLN 76 HG1 GLN 76 0.754 19.526 -2.012 591 1HE2 GLN 76 HE21 GLN 76 3.332 21.770 -1.038 592 2HE2 GLN 76 HE22 GLN 76 2.305 23.149 -0.879 593 H GLY 77 HN GLY 77 3.950 17.383 1.356 594 1HA GLY 77 HA2 GLY 77 4.884 19.398 3.202 595 2HA GLY 77 HA1 GLY 77 4.586 17.707 3.566 596 H GLY 78 HN GLY 78 6.231 16.189 2.410 597 1HA GLY 78 HA2 GLY 78 8.809 17.115 1.792 598 2HA GLY 78 HA1 GLY 78 8.753 16.714 3.502 599 H LYS 79 HN LYS 79 9.559 15.554 0.581 600 HA LYS 79 HA LYS 79 8.613 13.075 0.148 601 1HB LYS 79 HB2 LYS 79 10.784 12.443 -0.741 602 2HB LYS 79 HB1 LYS 79 10.409 14.106 -1.169 603 1HG LYS 79 HG2 LYS 79 11.846 14.053 1.306 604 2HG LYS 79 HG1 LYS 79 12.716 13.120 0.087 605 1HD LYS 79 HD2 LYS 79 13.546 15.148 -0.468 606 2HD LYS 79 HD1 LYS 79 12.037 15.278 -1.373 607 1HE LYS 79 HE2 LYS 79 11.618 17.128 -0.207 608 2HE LYS 79 HE1 LYS 79 11.372 16.091 1.198 609 1HZ LYS 79 HZ1 LYS 79 12.948 17.636 1.883 610 2HZ LYS 79 HZ2 LYS 79 13.798 17.588 0.422 611 3HZ LYS 79 HZ3 LYS 79 13.882 16.281 1.492 612 H HIS 80 HN HIS 80 10.623 13.991 2.868 613 HA HIS 80 HA HIS 80 11.624 11.625 3.767 614 1HB HIS 80 HB2 HIS 80 10.825 14.139 4.999 615 2HB HIS 80 HB1 HIS 80 10.642 12.779 6.103 616 HD1 HIS 80 HD1 HIS 80 13.384 13.508 3.563 617 HD2 HIS 80 HD2 HIS 80 12.871 12.841 7.632 618 HE1 HIS 80 HE1 HIS 80 15.702 13.477 4.535 619 HE2 HIS 80 HE2 HIS 80 15.371 12.970 6.981 620 H THR 81 HN THR 81 8.279 12.659 3.872 621 HA THR 81 HA THR 81 7.333 10.573 5.560 622 HB THR 81 HB THR 81 6.082 12.534 3.676 623 HG1 THR 81 HG1 THR 81 6.531 13.197 5.780 624 1HG2 THR 81 HG21 THR 81 4.836 10.015 4.456 625 2HG2 THR 81 HG22 THR 81 4.368 11.195 3.223 626 3HG2 THR 81 HG23 THR 81 3.904 11.447 4.910 627 H VAL 82 HN VAL 82 6.551 11.058 2.148 628 HA VAL 82 HA VAL 82 5.749 8.486 1.560 629 HB VAL 82 HB VAL 82 7.250 10.277 -0.359 630 1HG1 VAL 82 HG11 VAL 82 5.646 9.166 -1.987 631 2HG1 VAL 82 HG12 VAL 82 5.308 8.011 -0.700 632 3HG1 VAL 82 HG13 VAL 82 6.942 8.160 -1.342 633 1HG2 VAL 82 HG21 VAL 82 5.575 11.648 0.577 634 2HG2 VAL 82 HG22 VAL 82 4.391 10.346 0.564 635 3HG2 VAL 82 HG23 VAL 82 4.921 11.071 -0.953 636 H HIS 83 HN HIS 83 9.057 9.813 1.554 637 HA HIS 83 HA HIS 83 10.402 7.762 0.299 638 1HB HIS 83 HB2 HIS 83 11.095 9.883 2.127 639 2HB HIS 83 HB1 HIS 83 11.984 8.425 2.549 640 HD1 HIS 83 HD1 HIS 83 11.117 9.489 -0.973 641 HD2 HIS 83 HD2 HIS 83 14.424 9.119 1.513 642 HE1 HIS 83 HE1 HIS 83 13.114 9.882 -2.449 643 HE2 HIS 83 HE2 HIS 83 15.107 9.556 -0.943 644 H HIS 84 HN HIS 84 9.202 7.943 3.600 645 HA HIS 84 HA HIS 84 10.228 5.367 4.349 646 1HB HIS 84 HB2 HIS 84 8.633 7.505 5.625 647 2HB HIS 84 HB1 HIS 84 8.313 5.874 6.205 648 HD1 HIS 84 HD1 HIS 84 10.824 4.555 6.649 649 HD2 HIS 84 HD2 HIS 84 10.529 8.671 7.137 650 HE1 HIS 84 HE1 HIS 84 12.756 5.196 8.126 651 HE2 HIS 84 HE2 HIS 84 12.523 7.683 8.456 652 H ILE 85 HN ILE 85 7.287 6.610 2.950 653 HA ILE 85 HA ILE 85 5.862 4.133 3.383 654 HB ILE 85 HB ILE 85 3.962 5.243 3.003 655 1HG1 ILE 85 HG12 ILE 85 4.836 7.114 0.887 656 2HG1 ILE 85 HG11 ILE 85 4.721 5.410 0.469 657 1HG2 ILE 85 HG21 ILE 85 4.060 7.698 3.234 658 2HG2 ILE 85 HG22 ILE 85 5.812 7.567 3.140 659 3HG2 ILE 85 HG23 ILE 85 4.945 6.787 4.457 660 1HD1 ILE 85 HD11 ILE 85 2.670 7.125 0.279 661 2HD1 ILE 85 HD12 ILE 85 2.413 6.526 1.916 662 3HD1 ILE 85 HD13 ILE 85 2.472 5.399 0.565 663 H GLU 86 HN GLU 86 7.505 5.750 0.741 664 HA GLU 86 HA GLU 86 6.624 3.913 -1.276 665 1HB GLU 86 HB2 GLU 86 8.470 4.949 -2.628 666 2HB GLU 86 HB1 GLU 86 7.298 6.095 -1.995 667 1HG GLU 86 HG2 GLU 86 8.861 7.219 -0.922 668 2HG GLU 86 HG1 GLU 86 9.479 5.758 -0.158 669 H GLN 87 HN GLN 87 9.470 4.206 0.804 670 HA GLN 87 HA GLN 87 10.900 2.056 -0.383 671 1HB GLN 87 HB2 GLN 87 11.130 3.686 2.081 672 2HB GLN 87 HB1 GLN 87 11.835 2.080 2.164 673 1HG GLN 87 HG2 GLN 87 13.436 3.839 1.501 674 2HG GLN 87 HG1 GLN 87 13.278 2.540 0.318 675 1HE2 GLN 87 HE21 GLN 87 12.672 3.017 -1.710 676 2HE2 GLN 87 HE22 GLN 87 12.262 4.600 -2.266 677 H ASN 88 HN ASN 88 8.408 2.359 2.014 678 HA ASN 88 HA ASN 88 8.583 -0.387 2.880 679 1HB ASN 88 HB2 ASN 88 7.003 2.014 3.624 680 2HB ASN 88 HB1 ASN 88 6.217 0.457 3.877 681 1HD2 ASN 88 HD21 ASN 88 9.172 2.259 4.560 682 2HD2 ASN 88 HD22 ASN 88 9.502 1.492 6.073 683 H ILE 89 HN ILE 89 6.405 1.600 0.907 684 HA ILE 89 HA ILE 89 4.649 -0.571 0.324 685 HB ILE 89 HB ILE 89 4.722 2.264 -0.298 686 1HG1 ILE 89 HG12 ILE 89 2.211 0.953 -0.700 687 2HG1 ILE 89 HG11 ILE 89 3.014 0.278 0.719 688 1HG2 ILE 89 HG21 ILE 89 5.035 1.723 -2.589 689 2HG2 ILE 89 HG22 ILE 89 3.311 2.029 -2.380 690 3HG2 ILE 89 HG23 ILE 89 3.902 0.375 -2.496 691 1HD1 ILE 89 HD11 ILE 89 1.521 2.638 0.586 692 2HD1 ILE 89 HD12 ILE 89 3.201 3.163 0.715 693 3HD1 ILE 89 HD13 ILE 89 2.520 2.084 1.928 694 H LYS 90 HN LYS 90 7.007 1.213 -1.665 695 HA LYS 90 HA LYS 90 6.720 -0.432 -3.882 696 1HB LYS 90 HB2 LYS 90 9.242 1.017 -3.040 697 2HB LYS 90 HB1 LYS 90 8.863 0.456 -4.662 698 1HG LYS 90 HG2 LYS 90 7.134 2.444 -3.226 699 2HG LYS 90 HG1 LYS 90 8.542 2.929 -4.174 700 1HD LYS 90 HD2 LYS 90 6.384 1.180 -5.319 701 2HD LYS 90 HD1 LYS 90 6.263 2.940 -5.341 702 1HE LYS 90 HE2 LYS 90 7.725 3.120 -7.020 703 2HE LYS 90 HE1 LYS 90 8.845 1.980 -6.276 704 1HZ LYS 90 HZ1 LYS 90 8.258 0.766 -8.070 705 2HZ LYS 90 HZ2 LYS 90 6.749 1.508 -8.243 706 3HZ LYS 90 HZ3 LYS 90 6.970 0.305 -7.075 707 H GLU 91 HN GLU 91 8.477 -0.878 -0.924 708 HA GLU 91 HA GLU 91 9.836 -3.247 -1.955 709 1HB GLU 91 HB2 GLU 91 10.950 -1.607 -0.363 710 2HB GLU 91 HB1 GLU 91 9.862 -2.209 0.881 711 1HG GLU 91 HG2 GLU 91 10.948 -4.508 -0.171 712 2HG GLU 91 HG1 GLU 91 12.295 -3.371 -0.198 713 H ILE 92 HN ILE 92 6.840 -2.484 -0.878 714 HA ILE 92 HA ILE 92 6.314 -4.712 0.822 715 HB ILE 92 HB ILE 92 5.072 -2.312 0.407 716 1HG1 ILE 92 HG12 ILE 92 3.331 -3.314 1.966 717 2HG1 ILE 92 HG11 ILE 92 4.205 -4.831 1.793 718 1HG2 ILE 92 HG21 ILE 92 2.771 -2.828 -0.273 719 2HG2 ILE 92 HG22 ILE 92 3.292 -4.447 -0.734 720 3HG2 ILE 92 HG23 ILE 92 3.929 -3.042 -1.584 721 1HD1 ILE 92 HD11 ILE 92 5.063 -2.301 3.103 722 2HD1 ILE 92 HD12 ILE 92 6.269 -3.416 2.455 723 3HD1 ILE 92 HD13 ILE 92 5.139 -3.960 3.698 724 H PHE 93 HN PHE 93 5.481 -3.773 -2.483 725 HA PHE 93 HA PHE 93 3.971 -5.915 -3.289 726 1HB PHE 93 HB2 PHE 93 4.372 -5.207 -5.460 727 2HB PHE 93 HB1 PHE 93 4.842 -3.764 -4.558 728 HD1 PHE 93 HD1 PHE 93 7.417 -4.339 -3.539 729 HD2 PHE 93 HD2 PHE 93 5.758 -5.403 -7.307 730 HE1 PHE 93 HE1 PHE 93 9.670 -4.513 -4.472 731 HE2 PHE 93 HE2 PHE 93 8.020 -5.559 -8.263 732 HZ PHE 93 HZ PHE 93 9.989 -5.112 -6.846 733 H HIS 94 HN HIS 94 7.376 -5.809 -2.585 734 HA HIS 94 HA HIS 94 8.195 -8.117 -3.991 735 1HB HIS 94 HB2 HIS 94 9.582 -6.233 -2.770 736 2HB HIS 94 HB1 HIS 94 9.482 -7.336 -1.401 737 HD1 HIS 94 HD1 HIS 94 10.489 -9.801 -1.869 738 HD2 HIS 94 HD2 HIS 94 11.542 -6.823 -4.567 739 HE1 HIS 94 HE1 HIS 94 12.498 -10.685 -3.094 740 HE2 HIS 94 HE2 HIS 94 13.070 -8.899 -4.776 741 H HIS 95 HN HIS 95 7.772 -7.746 -0.474 742 HA HIS 95 HA HIS 95 7.633 -10.506 0.051 743 1HB HIS 95 HB2 HIS 95 6.864 -8.036 1.563 744 2HB HIS 95 HB1 HIS 95 6.361 -9.609 2.173 745 HD1 HIS 95 HD1 HIS 95 9.563 -9.954 0.558 746 HD2 HIS 95 HD2 HIS 95 8.241 -8.716 4.298 747 HE1 HIS 95 HE1 HIS 95 11.574 -10.092 2.062 748 HE2 HIS 95 HE2 HIS 95 10.729 -9.419 4.338 749 H LEU 96 HN LEU 96 5.436 -8.421 -1.477 750 HA LEU 96 HA LEU 96 3.061 -9.908 -0.688 751 1HB LEU 96 HB2 LEU 96 3.549 -7.627 -2.593 752 2HB LEU 96 HB1 LEU 96 1.985 -8.411 -2.445 753 HG LEU 96 HG LEU 96 3.461 -6.828 -0.372 754 1HD1 LEU 96 HD11 LEU 96 0.722 -6.496 -1.587 755 2HD1 LEU 96 HD12 LEU 96 2.157 -5.577 -2.043 756 3HD1 LEU 96 HD13 LEU 96 1.486 -5.418 -0.419 757 1HD2 LEU 96 HD21 LEU 96 1.553 -7.318 1.134 758 2HD2 LEU 96 HD22 LEU 96 2.552 -8.728 0.780 759 3HD2 LEU 96 HD23 LEU 96 0.997 -8.524 -0.029 760 H GLU 97 HN GLU 97 4.517 -9.105 -3.838 761 HA GLU 97 HA GLU 97 3.220 -11.180 -5.230 762 1HB GLU 97 HB2 GLU 97 5.088 -9.093 -5.828 763 2HB GLU 97 HB1 GLU 97 5.689 -10.595 -6.517 764 1HG GLU 97 HG2 GLU 97 3.091 -10.701 -7.262 765 2HG GLU 97 HG1 GLU 97 3.373 -8.960 -7.269 766 H GLU 98 HN GLU 98 5.837 -11.185 -3.043 767 HA GLU 98 HA GLU 98 7.008 -13.641 -4.084 768 1HB GLU 98 HB2 GLU 98 7.629 -11.911 -1.694 769 2HB GLU 98 HB1 GLU 98 8.411 -13.461 -1.958 770 1HG GLU 98 HG2 GLU 98 8.500 -11.755 -4.306 771 2HG GLU 98 HG1 GLU 98 9.264 -11.022 -2.897 772 H LEU 99 HN LEU 99 4.250 -13.017 -2.513 773 HA LEU 99 HA LEU 99 4.420 -15.278 -0.658 774 1HB LEU 99 HB2 LEU 99 3.529 -13.156 0.209 775 2HB LEU 99 HB1 LEU 99 2.271 -13.185 -1.012 776 HG LEU 99 HG LEU 99 1.588 -15.441 0.048 777 1HD1 LEU 99 HD11 LEU 99 3.773 -14.662 1.742 778 2HD1 LEU 99 HD12 LEU 99 2.849 -16.162 1.717 779 3HD1 LEU 99 HD13 LEU 99 2.283 -14.796 2.675 780 1HD2 LEU 99 HD21 LEU 99 0.428 -14.108 1.954 781 2HD2 LEU 99 HD22 LEU 99 0.043 -13.740 0.272 782 3HD2 LEU 99 HD23 LEU 99 1.154 -12.705 1.169 783 H VAL 100 HN VAL 100 2.011 -13.961 -2.925 784 HA VAL 100 HA VAL 100 0.563 -16.347 -3.213 785 HB VAL 100 HB VAL 100 0.773 -14.095 -5.216 786 1HG1 VAL 100 HG11 VAL 100 -1.118 -14.891 -6.227 787 2HG1 VAL 100 HG12 VAL 100 -1.694 -15.700 -4.771 788 3HG1 VAL 100 HG13 VAL 100 -0.387 -16.411 -5.717 789 1HG2 VAL 100 HG21 VAL 100 -0.500 -14.278 -2.571 790 2HG2 VAL 100 HG22 VAL 100 -1.523 -13.637 -3.857 791 3HG2 VAL 100 HG23 VAL 100 0.018 -12.864 -3.489 792 H HIS 101 HN HIS 101 3.443 -15.185 -4.800 793 HA HIS 101 HA HIS 101 3.317 -17.336 -6.778 794 1HB HIS 101 HB2 HIS 101 5.221 -15.008 -6.474 795 2HB HIS 101 HB1 HIS 101 5.344 -16.229 -7.735 796 HD1 HIS 101 HD1 HIS 101 4.770 -13.084 -8.093 797 HD2 HIS 101 HD2 HIS 101 2.019 -16.186 -8.389 798 HE1 HIS 101 HE1 HIS 101 2.902 -12.193 -9.522 799 HE2 HIS 101 HE2 HIS 101 1.292 -14.115 -9.758 800 H ARG 102 HN ARG 102 3.710 -17.977 -3.996 801 HA ARG 102 HA ARG 102 6.273 -19.370 -4.245 802 1HB ARG 102 HB2 ARG 102 5.852 -17.193 -2.504 803 2HB ARG 102 HB1 ARG 102 5.843 -18.631 -1.493 804 1HG ARG 102 HG2 ARG 102 8.006 -18.503 -3.481 805 2HG ARG 102 HG1 ARG 102 8.067 -17.288 -2.203 806 1HD ARG 102 HD2 ARG 102 7.802 -20.258 -1.748 807 2HD ARG 102 HD1 ARG 102 9.314 -19.357 -1.653 808 HE ARG 102 HE ARG 102 7.238 -18.326 0.049 809 1HH1 ARG 102 HH11 ARG 102 9.845 -20.630 -0.214 810 2HH1 ARG 102 HH12 ARG 102 10.087 -20.739 1.498 811 1HH2 ARG 102 HH21 ARG 102 7.554 -18.469 2.300 812 2HH2 ARG 102 HH22 ARG 102 8.785 -19.514 2.924 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -2.745 -22.652 3.400 2 2H MET 1 HT2 MET 1 -1.240 -22.493 4.209 3 3H MET 1 HT3 MET 1 -1.576 -21.544 2.819 4 HA MET 1 HA MET 1 -3.501 -20.636 4.112 5 1HB MET 1 HB2 MET 1 -2.006 -22.251 6.126 6 2HB MET 1 HB1 MET 1 -2.698 -20.722 6.649 7 1HG MET 1 HG2 MET 1 -4.891 -21.429 6.126 8 2HG MET 1 HG1 MET 1 -4.302 -22.841 5.252 9 1HE MET 1 HE1 MET 1 -3.951 -22.345 9.823 10 2HE MET 1 HE2 MET 1 -4.387 -21.060 8.697 11 3HE MET 1 HE3 MET 1 -2.740 -21.688 8.723 12 H TYR 2 HN TYR 2 -2.427 -18.980 2.928 13 HA TYR 2 HA TYR 2 -0.101 -17.774 4.252 14 1HB TYR 2 HB2 TYR 2 -1.231 -17.479 1.470 15 2HB TYR 2 HB1 TYR 2 0.002 -16.396 2.107 16 HD1 TYR 2 HD1 TYR 2 2.114 -17.621 3.124 17 HD2 TYR 2 HD2 TYR 2 -0.548 -19.343 0.289 18 HE1 TYR 2 HE1 TYR 2 3.866 -19.212 2.455 19 HE2 TYR 2 HE2 TYR 2 1.196 -20.940 -0.389 20 HH TYR 2 HH TYR 2 4.470 -20.628 0.628 21 H GLY 3 HN GLY 3 -1.262 -16.805 5.967 22 1HA GLY 3 HA2 GLY 3 -2.784 -14.424 5.123 23 2HA GLY 3 HA1 GLY 3 -3.346 -15.435 6.444 24 H LYS 4 HN LYS 4 0.018 -15.262 6.395 25 HA LYS 4 HA LYS 4 -0.040 -13.369 8.625 26 1HB LYS 4 HB2 LYS 4 1.095 -15.630 8.848 27 2HB LYS 4 HB1 LYS 4 2.294 -15.048 7.699 28 1HG LYS 4 HG2 LYS 4 3.111 -14.819 9.962 29 2HG LYS 4 HG1 LYS 4 2.874 -13.230 9.230 30 1HD LYS 4 HD2 LYS 4 0.934 -12.820 10.490 31 2HD LYS 4 HD1 LYS 4 0.761 -14.520 10.934 32 1HE LYS 4 HE2 LYS 4 1.567 -13.249 12.829 33 2HE LYS 4 HE1 LYS 4 2.821 -14.356 12.271 34 1HZ LYS 4 HZ1 LYS 4 4.122 -12.561 12.301 35 2HZ LYS 4 HZ2 LYS 4 2.819 -11.483 12.363 36 3HZ LYS 4 HZ3 LYS 4 3.338 -12.098 10.874 37 H LEU 5 HN LEU 5 0.906 -13.606 5.342 38 HA LEU 5 HA LEU 5 2.972 -11.766 5.219 39 1HB LEU 5 HB2 LEU 5 1.619 -13.132 3.353 40 2HB LEU 5 HB1 LEU 5 0.845 -11.570 3.151 41 HG LEU 5 HG LEU 5 2.637 -11.684 1.580 42 1HD1 LEU 5 HD11 LEU 5 2.310 -9.559 2.850 43 2HD1 LEU 5 HD12 LEU 5 3.932 -9.769 2.190 44 3HD1 LEU 5 HD13 LEU 5 3.634 -10.053 3.907 45 1HD2 LEU 5 HD21 LEU 5 3.892 -13.255 3.556 46 2HD2 LEU 5 HD22 LEU 5 4.928 -11.853 3.294 47 3HD2 LEU 5 HD23 LEU 5 4.478 -12.882 1.935 48 H ASN 6 HN ASN 6 -0.358 -11.364 6.039 49 HA ASN 6 HA ASN 6 -0.689 -8.660 5.474 50 1HB ASN 6 HB2 ASN 6 -2.407 -8.694 7.297 51 2HB ASN 6 HB1 ASN 6 -2.617 -9.921 6.053 52 1HD2 ASN 6 HD21 ASN 6 -3.918 -10.390 8.276 53 2HD2 ASN 6 HD22 ASN 6 -3.156 -11.604 9.240 54 H ASP 7 HN ASP 7 0.707 -10.289 8.263 55 HA ASP 7 HA ASP 7 0.986 -8.191 10.030 56 1HB ASP 7 HB2 ASP 7 1.637 -10.516 10.546 57 2HB ASP 7 HB1 ASP 7 3.023 -10.361 9.470 58 H LEU 8 HN LEU 8 2.685 -8.836 7.071 59 HA LEU 8 HA LEU 8 4.690 -6.794 7.529 60 1HB LEU 8 HB2 LEU 8 5.338 -8.774 6.299 61 2HB LEU 8 HB1 LEU 8 4.049 -8.525 5.139 62 HG LEU 8 HG LEU 8 6.406 -7.922 4.400 63 1HD1 LEU 8 HD11 LEU 8 5.511 -6.577 2.850 64 2HD1 LEU 8 HD12 LEU 8 4.839 -5.471 4.047 65 3HD1 LEU 8 HD13 LEU 8 3.990 -6.964 3.652 66 1HD2 LEU 8 HD21 LEU 8 7.253 -6.793 6.306 67 2HD2 LEU 8 HD22 LEU 8 5.891 -5.673 6.330 68 3HD2 LEU 8 HD23 LEU 8 7.081 -5.586 5.032 69 H LEU 9 HN LEU 9 1.639 -7.192 5.869 70 HA LEU 9 HA LEU 9 1.804 -4.878 4.241 71 1HB LEU 9 HB2 LEU 9 -0.308 -6.775 5.071 72 2HB LEU 9 HB1 LEU 9 -0.856 -5.186 4.571 73 HG LEU 9 HG LEU 9 1.073 -6.506 2.766 74 1HD1 LEU 9 HD11 LEU 9 -0.038 -8.397 2.457 75 2HD1 LEU 9 HD12 LEU 9 -1.474 -7.474 2.014 76 3HD1 LEU 9 HD13 LEU 9 -1.208 -7.936 3.695 77 1HD2 LEU 9 HD21 LEU 9 -0.793 -5.653 1.162 78 2HD2 LEU 9 HD22 LEU 9 0.293 -4.500 1.938 79 3HD2 LEU 9 HD23 LEU 9 -1.331 -4.747 2.575 80 H GLU 10 HN GLU 10 0.761 -5.485 7.531 81 HA GLU 10 HA GLU 10 -0.714 -3.263 8.152 82 1HB GLU 10 HB2 GLU 10 1.282 -4.822 9.774 83 2HB GLU 10 HB1 GLU 10 0.391 -3.475 10.468 84 1HG GLU 10 HG2 GLU 10 -0.972 -5.792 9.135 85 2HG GLU 10 HG1 GLU 10 -0.550 -5.791 10.847 86 H ASP 11 HN ASP 11 2.825 -3.525 8.118 87 HA ASP 11 HA ASP 11 3.425 -0.972 9.067 88 1HB ASP 11 HB2 ASP 11 4.854 -3.155 7.963 89 2HB ASP 11 HB1 ASP 11 5.326 -1.725 7.050 90 H LEU 12 HN LEU 12 2.726 -2.082 5.799 91 HA LEU 12 HA LEU 12 3.337 0.252 4.419 92 1HB LEU 12 HB2 LEU 12 2.883 -1.119 2.732 93 2HB LEU 12 HB1 LEU 12 2.197 -2.281 3.841 94 HG LEU 12 HG LEU 12 0.308 -0.154 3.111 95 1HD1 LEU 12 HD11 LEU 12 0.104 -1.655 0.849 96 2HD1 LEU 12 HD12 LEU 12 1.849 -1.474 1.018 97 3HD1 LEU 12 HD13 LEU 12 0.816 -0.046 0.948 98 1HD2 LEU 12 HD21 LEU 12 -0.825 -2.476 2.376 99 2HD2 LEU 12 HD22 LEU 12 -0.819 -1.884 4.036 100 3HD2 LEU 12 HD23 LEU 12 0.375 -3.075 3.520 101 H GLN 13 HN GLN 13 0.091 -0.898 5.311 102 HA GLN 13 HA GLN 13 -1.344 1.330 4.630 103 1HB GLN 13 HB2 GLN 13 -2.210 -0.899 5.501 104 2HB GLN 13 HB1 GLN 13 -1.922 -0.282 7.122 105 1HG GLN 13 HG2 GLN 13 -3.443 1.612 6.606 106 2HG GLN 13 HG1 GLN 13 -3.809 0.838 5.065 107 1HE2 GLN 13 HE21 GLN 13 -3.691 0.066 8.527 108 2HE2 GLN 13 HE22 GLN 13 -5.131 -0.888 8.539 109 H GLU 14 HN GLU 14 0.421 0.776 7.662 110 HA GLU 14 HA GLU 14 -0.449 3.212 8.886 111 1HB GLU 14 HB2 GLU 14 1.234 0.962 9.586 112 2HB GLU 14 HB1 GLU 14 2.011 2.475 10.030 113 1HG GLU 14 HG2 GLU 14 -0.822 1.846 10.788 114 2HG GLU 14 HG1 GLU 14 0.555 1.365 11.779 115 H VAL 15 HN VAL 15 2.118 2.269 6.763 116 HA VAL 15 HA VAL 15 3.748 4.557 7.097 117 HB VAL 15 HB VAL 15 4.165 2.227 5.925 118 1HG1 VAL 15 HG11 VAL 15 2.644 3.471 3.939 119 2HG1 VAL 15 HG12 VAL 15 3.564 1.978 3.820 120 3HG1 VAL 15 HG13 VAL 15 4.311 3.502 3.374 121 1HG2 VAL 15 HG21 VAL 15 5.449 4.852 5.242 122 2HG2 VAL 15 HG22 VAL 15 6.140 3.274 4.850 123 3HG2 VAL 15 HG23 VAL 15 5.887 3.727 6.531 124 H LEU 16 HN LEU 16 0.796 3.972 5.439 125 HA LEU 16 HA LEU 16 0.940 6.112 3.572 126 1HB LEU 16 HB2 LEU 16 -1.356 4.625 4.808 127 2HB LEU 16 HB1 LEU 16 -1.602 5.956 3.704 128 HG LEU 16 HG LEU 16 -1.857 3.910 2.495 129 1HD1 LEU 16 HD11 LEU 16 0.770 4.375 1.424 130 2HD1 LEU 16 HD12 LEU 16 -0.049 5.894 1.792 131 3HD1 LEU 16 HD13 LEU 16 -0.810 4.717 0.724 132 1HD2 LEU 16 HD21 LEU 16 0.925 3.025 2.930 133 2HD2 LEU 16 HD22 LEU 16 -0.543 2.082 2.666 134 3HD2 LEU 16 HD23 LEU 16 -0.216 2.785 4.249 135 H LYS 17 HN LYS 17 -0.015 5.797 6.936 136 HA LYS 17 HA LYS 17 -1.446 8.037 7.475 137 1HB LYS 17 HB2 LYS 17 -0.557 6.301 9.120 138 2HB LYS 17 HB1 LYS 17 0.918 7.256 9.179 139 1HG LYS 17 HG2 LYS 17 -0.448 7.845 11.047 140 2HG LYS 17 HG1 LYS 17 -0.434 9.201 9.916 141 1HD LYS 17 HD2 LYS 17 -2.598 7.188 9.631 142 2HD LYS 17 HD1 LYS 17 -2.680 8.286 11.010 143 1HE LYS 17 HE2 LYS 17 -2.027 9.889 8.810 144 2HE LYS 17 HE1 LYS 17 -3.270 8.780 8.233 145 1HZ LYS 17 HZ1 LYS 17 -4.271 9.528 10.601 146 2HZ LYS 17 HZ2 LYS 17 -4.652 10.275 9.133 147 3HZ LYS 17 HZ3 LYS 17 -3.470 10.945 10.140 148 H ASN 18 HN ASN 18 2.025 7.834 6.961 149 HA ASN 18 HA ASN 18 2.626 10.565 7.438 150 1HB ASN 18 HB2 ASN 18 3.992 8.232 6.241 151 2HB ASN 18 HB1 ASN 18 4.508 9.785 5.597 152 1HD2 ASN 18 HD21 ASN 18 6.197 8.120 7.018 153 2HD2 ASN 18 HD22 ASN 18 6.605 8.877 8.517 154 H LEU 19 HN LEU 19 1.993 8.709 4.520 155 HA LEU 19 HA LEU 19 2.258 10.579 2.543 156 1HB LEU 19 HB2 LEU 19 1.835 8.580 1.622 157 2HB LEU 19 HB1 LEU 19 0.819 8.069 2.946 158 HG LEU 19 HG LEU 19 -0.383 10.043 1.100 159 1HD1 LEU 19 HD11 LEU 19 -0.831 8.475 -0.636 160 2HD1 LEU 19 HD12 LEU 19 -0.059 7.169 0.265 161 3HD1 LEU 19 HD13 LEU 19 0.915 8.487 -0.383 162 1HD2 LEU 19 HD21 LEU 19 -1.168 7.845 2.881 163 2HD2 LEU 19 HD22 LEU 19 -2.101 7.975 1.391 164 3HD2 LEU 19 HD23 LEU 19 -2.002 9.347 2.492 165 H HIS 20 HN HIS 20 -0.812 9.834 4.212 166 HA HIS 20 HA HIS 20 -2.478 11.637 3.046 167 1HB HIS 20 HB2 HIS 20 -2.325 10.816 5.943 168 2HB HIS 20 HB1 HIS 20 -3.645 11.776 5.296 169 HD1 HIS 20 HD1 HIS 20 -5.581 10.493 4.440 170 HD2 HIS 20 HD2 HIS 20 -2.149 8.167 4.650 171 HE1 HIS 20 HE1 HIS 20 -6.327 8.149 3.928 172 HE2 HIS 20 HE2 HIS 20 -4.250 6.744 4.165 173 H LYS 21 HN LYS 21 0.101 12.409 5.266 174 HA LYS 21 HA LYS 21 -0.902 15.120 5.628 175 1HB LYS 21 HB2 LYS 21 1.693 14.122 6.735 176 2HB LYS 21 HB1 LYS 21 0.604 15.341 7.385 177 1HG LYS 21 HG2 LYS 21 -0.076 12.417 7.216 178 2HG LYS 21 HG1 LYS 21 0.644 13.183 8.634 179 1HD LYS 21 HD2 LYS 21 -1.621 13.249 9.139 180 2HD LYS 21 HD1 LYS 21 -1.343 14.845 8.441 181 1HE LYS 21 HE2 LYS 21 -2.421 14.298 6.446 182 2HE LYS 21 HE1 LYS 21 -2.212 12.570 6.707 183 1HZ LYS 21 HZ1 LYS 21 -4.491 13.880 7.152 184 2HZ LYS 21 HZ2 LYS 21 -3.812 13.925 8.700 185 3HZ LYS 21 HZ3 LYS 21 -4.068 12.439 7.932 186 H ASN 22 HN ASN 22 1.420 13.502 3.649 187 HA ASN 22 HA ASN 22 2.479 16.143 2.879 188 1HB ASN 22 HB2 ASN 22 3.908 13.504 3.108 189 2HB ASN 22 HB1 ASN 22 4.567 14.854 2.189 190 1HD2 ASN 22 HD21 ASN 22 4.290 17.008 3.553 191 2HD2 ASN 22 HD22 ASN 22 4.951 16.904 5.145 192 H TRP 23 HN TRP 23 0.653 13.548 1.792 193 HA TRP 23 HA TRP 23 1.594 13.220 -0.819 194 1HB TRP 23 HB2 TRP 23 -0.185 11.865 -1.098 195 2HB TRP 23 HB1 TRP 23 -0.403 12.091 0.632 196 HD1 TRP 23 HD1 TRP 23 -2.648 13.074 1.360 197 HE1 TRP 23 HE1 TRP 23 -4.667 14.121 0.184 198 HE3 TRP 23 HE3 TRP 23 -0.694 13.324 -3.296 199 HZ2 TRP 23 HZ2 TRP 23 -5.344 14.926 -2.476 200 HZ3 TRP 23 HZ3 TRP 23 -2.067 14.211 -5.120 201 HH2 TRP 23 HH2 TRP 23 -4.348 15.007 -4.725 202 H HIS 24 HN HIS 24 -0.410 15.698 0.601 203 HA HIS 24 HA HIS 24 0.126 17.567 -1.428 204 1HB HIS 24 HB2 HIS 24 -1.380 16.242 -2.806 205 2HB HIS 24 HB1 HIS 24 -2.609 16.283 -1.550 206 HD1 HIS 24 HD1 HIS 24 -0.678 18.903 -3.542 207 HD2 HIS 24 HD2 HIS 24 -4.489 18.124 -2.086 208 HE1 HIS 24 HE1 HIS 24 -2.102 20.821 -4.328 209 HE2 HIS 24 HE2 HIS 24 -4.423 20.281 -3.511 210 H GLY 25 HN GLY 25 -2.492 16.597 0.776 211 1HA GLY 25 HA2 GLY 25 -2.210 18.204 2.861 212 2HA GLY 25 HA1 GLY 25 -2.767 19.363 1.666 213 H GLY 26 HN GLY 26 -3.816 17.808 4.209 214 1HA GLY 26 HA2 GLY 26 -5.937 17.425 5.009 215 2HA GLY 26 HA1 GLY 26 -6.561 18.034 3.483 216 H LYS 27 HN LYS 27 -6.346 15.372 5.430 217 HA LYS 27 HA LYS 27 -5.977 13.246 3.657 218 1HB LYS 27 HB2 LYS 27 -5.947 12.709 5.940 219 2HB LYS 27 HB1 LYS 27 -7.473 13.525 6.248 220 1HG LYS 27 HG2 LYS 27 -8.730 11.767 5.473 221 2HG LYS 27 HG1 LYS 27 -7.438 11.161 4.436 222 1HD LYS 27 HD2 LYS 27 -6.688 9.804 6.039 223 2HD LYS 27 HD1 LYS 27 -6.652 11.117 7.217 224 1HE LYS 27 HE2 LYS 27 -8.980 10.789 7.728 225 2HE LYS 27 HE1 LYS 27 -9.136 9.598 6.439 226 1HZ LYS 27 HZ1 LYS 27 -8.163 7.998 7.673 227 2HZ LYS 27 HZ2 LYS 27 -8.720 8.938 8.964 228 3HZ LYS 27 HZ3 LYS 27 -7.110 9.065 8.460 229 H ASP 28 HN ASP 28 -8.569 15.474 3.905 230 HA ASP 28 HA ASP 28 -10.776 14.027 3.111 231 1HB ASP 28 HB2 ASP 28 -10.218 16.693 3.470 232 2HB ASP 28 HB1 ASP 28 -10.533 16.612 1.739 233 H ASN 29 HN ASN 29 -8.105 15.239 1.143 234 HA ASN 29 HA ASN 29 -9.339 14.310 -1.310 235 1HB ASN 29 HB2 ASN 29 -6.535 15.352 -0.851 236 2HB ASN 29 HB1 ASN 29 -7.327 15.139 -2.408 237 1HD2 ASN 29 HD21 ASN 29 -6.331 17.442 -0.512 238 2HD2 ASN 29 HD22 ASN 29 -7.570 18.629 -0.713 239 H LEU 30 HN LEU 30 -6.610 13.392 0.757 240 HA LEU 30 HA LEU 30 -5.722 11.218 -0.796 241 1HB LEU 30 HB2 LEU 30 -4.641 12.390 1.262 242 2HB LEU 30 HB1 LEU 30 -5.569 11.242 2.197 243 HG LEU 30 HG LEU 30 -3.199 10.573 1.776 244 1HD1 LEU 30 HD11 LEU 30 -5.529 9.050 1.746 245 2HD1 LEU 30 HD12 LEU 30 -3.897 8.499 2.101 246 3HD1 LEU 30 HD13 LEU 30 -4.522 8.390 0.461 247 1HD2 LEU 30 HD21 LEU 30 -2.321 10.233 -0.274 248 2HD2 LEU 30 HD22 LEU 30 -3.564 11.389 -0.765 249 3HD2 LEU 30 HD23 LEU 30 -3.848 9.663 -0.943 250 H HIS 31 HN HIS 31 -8.365 11.615 1.418 251 HA HIS 31 HA HIS 31 -8.924 9.063 2.247 252 1HB HIS 31 HB2 HIS 31 -10.272 11.504 2.225 253 2HB HIS 31 HB1 HIS 31 -11.347 10.410 1.362 254 HD1 HIS 31 HD1 HIS 31 -10.228 7.955 3.283 255 HD2 HIS 31 HD2 HIS 31 -12.130 11.485 4.377 256 HE1 HIS 31 HE1 HIS 31 -11.243 7.501 5.539 257 HE2 HIS 31 HE2 HIS 31 -12.307 9.680 6.221 258 H ASP 32 HN ASP 32 -9.474 10.496 -0.918 259 HA ASP 32 HA ASP 32 -10.950 8.249 -1.916 260 1HB ASP 32 HB2 ASP 32 -10.133 10.865 -2.897 261 2HB ASP 32 HB1 ASP 32 -9.974 9.618 -4.130 262 H VAL 33 HN VAL 33 -7.629 9.095 -1.642 263 HA VAL 33 HA VAL 33 -6.743 7.116 -3.571 264 HB VAL 33 HB VAL 33 -5.480 9.275 -1.998 265 1HG1 VAL 33 HG11 VAL 33 -3.976 7.703 -1.196 266 2HG1 VAL 33 HG12 VAL 33 -3.203 8.231 -2.690 267 3HG1 VAL 33 HG13 VAL 33 -4.093 6.710 -2.644 268 1HG2 VAL 33 HG21 VAL 33 -6.113 9.471 -4.371 269 2HG2 VAL 33 HG22 VAL 33 -4.959 8.190 -4.750 270 3HG2 VAL 33 HG23 VAL 33 -4.389 9.727 -4.093 271 H ASP 34 HN ASP 34 -6.238 7.688 -0.069 272 HA ASP 34 HA ASP 34 -5.053 5.202 0.427 273 1HB ASP 34 HB2 ASP 34 -4.711 6.639 2.190 274 2HB ASP 34 HB1 ASP 34 -6.351 7.284 2.127 275 H ASN 35 HN ASN 35 -8.367 6.113 -0.072 276 HA ASN 35 HA ASN 35 -9.659 3.950 1.172 277 1HB ASN 35 HB2 ASN 35 -10.351 5.978 -0.819 278 2HB ASN 35 HB1 ASN 35 -11.141 4.438 -1.133 279 1HD2 ASN 35 HD21 ASN 35 -12.982 4.089 -0.139 280 2HD2 ASN 35 HD22 ASN 35 -13.537 4.889 1.288 281 H HIS 36 HN HIS 36 -8.140 4.350 -1.969 282 HA HIS 36 HA HIS 36 -8.814 1.822 -3.043 283 1HB HIS 36 HB2 HIS 36 -6.869 3.980 -3.659 284 2HB HIS 36 HB1 HIS 36 -6.440 2.375 -4.239 285 HD1 HIS 36 HD1 HIS 36 -10.051 2.956 -4.202 286 HD2 HIS 36 HD2 HIS 36 -6.906 3.572 -6.847 287 HE1 HIS 36 HE1 HIS 36 -11.123 3.341 -6.443 288 HE2 HIS 36 HE2 HIS 36 -9.205 3.791 -8.012 289 H LEU 37 HN LEU 37 -5.962 3.062 -1.339 290 HA LEU 37 HA LEU 37 -4.466 0.707 -1.198 291 1HB LEU 37 HB2 LEU 37 -3.900 3.123 -0.456 292 2HB LEU 37 HB1 LEU 37 -4.601 2.659 1.076 293 HG LEU 37 HG LEU 37 -2.484 2.131 1.588 294 1HD1 LEU 37 HD11 LEU 37 -1.864 -0.188 1.122 295 2HD1 LEU 37 HD12 LEU 37 -3.121 -0.273 -0.113 296 3HD1 LEU 37 HD13 LEU 37 -3.561 -0.045 1.580 297 1HD2 LEU 37 HD21 LEU 37 -1.272 3.035 -0.139 298 2HD2 LEU 37 HD22 LEU 37 -2.086 2.060 -1.362 299 3HD2 LEU 37 HD23 LEU 37 -0.872 1.326 -0.314 300 H GLN 38 HN GLN 38 -6.353 2.063 1.503 301 HA GLN 38 HA GLN 38 -6.352 -0.080 3.191 302 1HB GLN 38 HB2 GLN 38 -7.533 2.324 3.268 303 2HB GLN 38 HB1 GLN 38 -8.950 1.340 2.924 304 1HG GLN 38 HG2 GLN 38 -7.197 0.385 5.092 305 2HG GLN 38 HG1 GLN 38 -8.080 1.880 5.397 306 1HE2 GLN 38 HE21 GLN 38 -8.330 -0.851 6.530 307 2HE2 GLN 38 HE22 GLN 38 -9.989 -1.279 6.312 308 H ASN 39 HN ASN 39 -8.558 0.473 0.477 309 HA ASN 39 HA ASN 39 -10.217 -1.759 0.907 310 1HB ASN 39 HB2 ASN 39 -9.599 -0.005 -1.432 311 2HB ASN 39 HB1 ASN 39 -10.461 -1.513 -1.723 312 1HD2 ASN 39 HD21 ASN 39 -12.499 -0.970 -2.060 313 2HD2 ASN 39 HD22 ASN 39 -13.453 0.046 -1.038 314 H VAL 40 HN VAL 40 -7.078 -1.402 -0.570 315 HA VAL 40 HA VAL 40 -6.991 -3.863 -1.952 316 HB VAL 40 HB VAL 40 -4.678 -2.330 -0.745 317 1HG1 VAL 40 HG11 VAL 40 -3.561 -4.185 -1.338 318 2HG1 VAL 40 HG12 VAL 40 -3.718 -3.547 -2.975 319 3HG1 VAL 40 HG13 VAL 40 -4.861 -4.755 -2.385 320 1HG2 VAL 40 HG21 VAL 40 -6.397 -1.778 -3.018 321 2HG2 VAL 40 HG22 VAL 40 -4.698 -1.899 -3.476 322 3HG2 VAL 40 HG23 VAL 40 -5.196 -0.754 -2.234 323 H ILE 41 HN ILE 41 -5.734 -2.926 1.247 324 HA ILE 41 HA ILE 41 -4.620 -5.235 2.127 325 HB ILE 41 HB ILE 41 -6.104 -3.067 3.515 326 1HG1 ILE 41 HG12 ILE 41 -3.969 -2.780 4.645 327 2HG1 ILE 41 HG11 ILE 41 -3.370 -4.281 3.949 328 1HG2 ILE 41 HG21 ILE 41 -5.445 -4.302 5.713 329 2HG2 ILE 41 HG22 ILE 41 -5.580 -5.751 4.715 330 3HG2 ILE 41 HG23 ILE 41 -6.970 -4.683 4.912 331 1HD1 ILE 41 HD11 ILE 41 -3.120 -3.357 1.849 332 2HD1 ILE 41 HD12 ILE 41 -2.666 -2.027 2.915 333 3HD1 ILE 41 HD13 ILE 41 -4.265 -2.055 2.174 334 H GLU 42 HN GLU 42 -8.104 -4.552 2.041 335 HA GLU 42 HA GLU 42 -8.816 -7.018 3.308 336 1HB GLU 42 HB2 GLU 42 -11.076 -6.416 2.906 337 2HB GLU 42 HB1 GLU 42 -10.236 -4.912 3.250 338 1HG GLU 42 HG2 GLU 42 -10.799 -4.051 1.291 339 2HG GLU 42 HG1 GLU 42 -10.242 -5.476 0.420 340 H ASP 43 HN ASP 43 -8.173 -6.010 0.063 341 HA ASP 43 HA ASP 43 -9.295 -8.411 -1.097 342 1HB ASP 43 HB2 ASP 43 -8.057 -5.911 -2.119 343 2HB ASP 43 HB1 ASP 43 -7.859 -7.350 -3.117 344 H ILE 44 HN ILE 44 -6.227 -7.206 0.021 345 HA ILE 44 HA ILE 44 -4.737 -9.373 -1.202 346 HB ILE 44 HB ILE 44 -3.688 -7.419 0.840 347 1HG1 ILE 44 HG12 ILE 44 -4.621 -6.069 -0.925 348 2HG1 ILE 44 HG11 ILE 44 -2.876 -6.098 -1.130 349 1HG2 ILE 44 HG21 ILE 44 -1.556 -7.860 -0.426 350 2HG2 ILE 44 HG22 ILE 44 -2.413 -9.166 -1.247 351 3HG2 ILE 44 HG23 ILE 44 -2.191 -9.221 0.503 352 1HD1 ILE 44 HD11 ILE 44 -4.952 -7.553 -2.730 353 2HD1 ILE 44 HD12 ILE 44 -3.233 -7.937 -2.816 354 3HD1 ILE 44 HD13 ILE 44 -3.803 -6.333 -3.276 355 H HIS 45 HN HIS 45 -5.876 -8.406 1.992 356 HA HIS 45 HA HIS 45 -4.596 -10.594 3.334 357 1HB HIS 45 HB2 HIS 45 -6.745 -8.704 4.299 358 2HB HIS 45 HB1 HIS 45 -5.840 -9.824 5.315 359 HD1 HIS 45 HD1 HIS 45 -4.976 -7.714 6.655 360 HD2 HIS 45 HD2 HIS 45 -3.763 -7.935 2.689 361 HE1 HIS 45 HE1 HIS 45 -3.089 -6.065 6.440 362 HE2 HIS 45 HE2 HIS 45 -2.483 -6.102 3.993 363 H ASP 46 HN ASP 46 -7.824 -9.943 2.084 364 HA ASP 46 HA ASP 46 -8.955 -12.307 3.256 365 1HB ASP 46 HB2 ASP 46 -10.256 -10.224 2.633 366 2HB ASP 46 HB1 ASP 46 -10.078 -10.710 0.950 367 H PHE 47 HN PHE 47 -7.315 -11.492 0.299 368 HA PHE 47 HA PHE 47 -8.121 -13.989 -0.976 369 1HB PHE 47 HB2 PHE 47 -6.522 -11.625 -1.877 370 2HB PHE 47 HB1 PHE 47 -6.415 -13.139 -2.759 371 HD1 PHE 47 HD1 PHE 47 -7.495 -10.360 -3.647 372 HD2 PHE 47 HD2 PHE 47 -9.369 -13.933 -2.287 373 HE1 PHE 47 HE1 PHE 47 -9.525 -9.771 -4.902 374 HE2 PHE 47 HE2 PHE 47 -11.401 -13.347 -3.540 375 HZ PHE 47 HZ PHE 47 -11.481 -11.264 -4.850 376 H MET 48 HN MET 48 -5.143 -12.558 0.327 377 HA MET 48 HA MET 48 -3.271 -14.415 -0.388 378 1HB MET 48 HB2 MET 48 -2.035 -13.828 1.616 379 2HB MET 48 HB1 MET 48 -2.783 -12.392 0.929 380 1HG MET 48 HG2 MET 48 -4.527 -12.457 2.585 381 2HG MET 48 HG1 MET 48 -3.902 -13.972 3.229 382 1HE MET 48 HE1 MET 48 -4.167 -10.974 5.227 383 2HE MET 48 HE2 MET 48 -3.101 -11.987 6.199 384 3HE MET 48 HE3 MET 48 -4.406 -12.721 5.270 385 H GLN 49 HN GLN 49 -5.841 -14.806 1.938 386 HA GLN 49 HA GLN 49 -4.819 -17.110 3.235 387 1HB GLN 49 HB2 GLN 49 -7.492 -15.789 3.048 388 2HB GLN 49 HB1 GLN 49 -7.397 -17.421 3.699 389 1HG GLN 49 HG2 GLN 49 -5.482 -16.328 5.163 390 2HG GLN 49 HG1 GLN 49 -6.407 -14.866 4.823 391 1HE2 GLN 49 HE21 GLN 49 -6.068 -17.444 6.874 392 2HE2 GLN 49 HE22 GLN 49 -7.609 -17.385 7.652 393 H GLY 50 HN GLY 50 -6.553 -16.607 0.264 394 1HA GLY 50 HA2 GLY 50 -6.000 -18.677 -1.208 395 2HA GLY 50 HA1 GLY 50 -7.001 -19.496 -0.021 396 H GLY 51 HN GLY 51 -8.500 -16.706 -0.020 397 1HA GLY 51 HA2 GLY 51 -10.728 -17.520 -1.469 398 2HA GLY 51 HA1 GLY 51 -10.382 -15.856 -1.022 399 H GLY 52 HN GLY 52 -7.804 -16.074 -2.624 400 1HA GLY 52 HA2 GLY 52 -7.981 -16.644 -5.236 401 2HA GLY 52 HA1 GLY 52 -8.989 -15.208 -5.129 402 H SER 53 HN SER 53 -5.868 -16.201 -3.726 403 HA SER 53 HA SER 53 -4.808 -13.553 -3.972 404 1HB SER 53 HB2 SER 53 -4.245 -15.477 -2.251 405 2HB SER 53 HB1 SER 53 -3.049 -15.919 -3.471 406 HG SER 53 HG SER 53 -2.530 -13.526 -3.332 407 H GLY 54 HN GLY 54 -4.919 -16.312 -6.021 408 1HA GLY 54 HA2 GLY 54 -2.609 -15.492 -7.587 409 2HA GLY 54 HA1 GLY 54 -3.622 -16.896 -7.882 410 H GLY 55 HN GLY 55 -3.630 -13.350 -8.046 411 1HA GLY 55 HA2 GLY 55 -4.186 -12.792 -10.550 412 2HA GLY 55 HA1 GLY 55 -5.741 -13.459 -10.075 413 H LYS 56 HN LYS 56 -5.097 -12.243 -7.296 414 HA LYS 56 HA LYS 56 -6.392 -9.704 -7.864 415 1HB LYS 56 HB2 LYS 56 -6.672 -9.552 -5.425 416 2HB LYS 56 HB1 LYS 56 -7.292 -11.070 -6.060 417 1HG LYS 56 HG2 LYS 56 -6.157 -11.946 -4.334 418 2HG LYS 56 HG1 LYS 56 -4.781 -11.813 -5.428 419 1HD LYS 56 HD2 LYS 56 -4.610 -9.399 -4.407 420 2HD LYS 56 HD1 LYS 56 -5.516 -10.127 -3.080 421 1HE LYS 56 HE2 LYS 56 -3.116 -11.546 -4.129 422 2HE LYS 56 HE1 LYS 56 -2.882 -10.130 -3.106 423 1HZ LYS 56 HZ1 LYS 56 -4.104 -11.167 -1.358 424 2HZ LYS 56 HZ2 LYS 56 -2.934 -12.267 -1.883 425 3HZ LYS 56 HZ3 LYS 56 -4.548 -12.467 -2.346 426 H LEU 57 HN LEU 57 -3.400 -10.877 -6.374 427 HA LEU 57 HA LEU 57 -2.433 -8.345 -5.626 428 1HB LEU 57 HB2 LEU 57 -1.521 -10.364 -4.677 429 2HB LEU 57 HB1 LEU 57 -0.950 -10.889 -6.251 430 HG LEU 57 HG LEU 57 0.657 -9.067 -6.314 431 1HD1 LEU 57 HD11 LEU 57 0.963 -7.566 -4.440 432 2HD1 LEU 57 HD12 LEU 57 -0.376 -8.326 -3.581 433 3HD1 LEU 57 HD13 LEU 57 -0.679 -7.423 -5.065 434 1HD2 LEU 57 HD21 LEU 57 2.163 -9.874 -4.680 435 2HD2 LEU 57 HD22 LEU 57 1.164 -11.247 -5.156 436 3HD2 LEU 57 HD23 LEU 57 0.853 -10.413 -3.632 437 H GLN 58 HN GLN 58 -2.864 -9.616 -8.731 438 HA GLN 58 HA GLN 58 -0.608 -8.206 -9.872 439 1HB GLN 58 HB2 GLN 58 -1.729 -8.936 -12.076 440 2HB GLN 58 HB1 GLN 58 -1.035 -10.181 -11.050 441 1HG GLN 58 HG2 GLN 58 -3.188 -10.818 -10.248 442 2HG GLN 58 HG1 GLN 58 -3.950 -9.448 -11.053 443 1HE2 GLN 58 HE21 GLN 58 -5.329 -10.713 -12.261 444 2HE2 GLN 58 HE22 GLN 58 -4.788 -11.706 -13.567 445 H GLU 59 HN GLU 59 -4.150 -7.963 -10.007 446 HA GLU 59 HA GLU 59 -3.962 -5.381 -11.321 447 1HB GLU 59 HB2 GLU 59 -6.032 -7.399 -10.904 448 2HB GLU 59 HB1 GLU 59 -6.621 -5.764 -10.630 449 1HG GLU 59 HG2 GLU 59 -5.091 -6.486 -13.101 450 2HG GLU 59 HG1 GLU 59 -6.830 -6.742 -12.977 451 H MET 60 HN MET 60 -4.549 -6.725 -8.167 452 HA MET 60 HA MET 60 -5.539 -4.280 -7.030 453 1HB MET 60 HB2 MET 60 -5.965 -6.708 -6.228 454 2HB MET 60 HB1 MET 60 -4.407 -6.554 -5.429 455 1HG MET 60 HG2 MET 60 -5.767 -5.900 -3.738 456 2HG MET 60 HG1 MET 60 -5.483 -4.337 -4.505 457 1HE MET 60 HE1 MET 60 -8.223 -3.286 -3.427 458 2HE MET 60 HE2 MET 60 -8.651 -2.935 -5.101 459 3HE MET 60 HE3 MET 60 -6.964 -2.864 -4.589 460 H MET 61 HN MET 61 -2.411 -5.840 -7.389 461 HA MET 61 HA MET 61 -0.976 -4.430 -5.446 462 1HB MET 61 HB2 MET 61 0.200 -6.172 -6.461 463 2HB MET 61 HB1 MET 61 -0.202 -5.635 -8.085 464 1HG MET 61 HG2 MET 61 1.356 -3.641 -6.714 465 2HG MET 61 HG1 MET 61 2.165 -5.204 -6.670 466 1HE MET 61 HE1 MET 61 2.185 -2.269 -9.990 467 2HE MET 61 HE2 MET 61 3.005 -2.276 -8.428 468 3HE MET 61 HE3 MET 61 1.249 -2.139 -8.501 469 H LYS 62 HN LYS 62 -1.908 -3.505 -8.718 470 HA LYS 62 HA LYS 62 -0.423 -1.083 -8.775 471 1HB LYS 62 HB2 LYS 62 -2.726 -2.150 -10.388 472 2HB LYS 62 HB1 LYS 62 -2.108 -0.523 -10.643 473 1HG LYS 62 HG2 LYS 62 0.000 -2.521 -10.610 474 2HG LYS 62 HG1 LYS 62 -1.208 -2.822 -11.859 475 1HD LYS 62 HD2 LYS 62 -0.223 -0.040 -11.553 476 2HD LYS 62 HD1 LYS 62 0.886 -1.222 -12.251 477 1HE LYS 62 HE2 LYS 62 -0.432 -0.032 -13.961 478 2HE LYS 62 HE1 LYS 62 -0.720 -1.771 -13.970 479 1HZ LYS 62 HZ1 LYS 62 -2.784 -0.543 -14.177 480 2HZ LYS 62 HZ2 LYS 62 -2.481 0.273 -12.727 481 3HZ LYS 62 HZ3 LYS 62 -2.757 -1.395 -12.715 482 H GLU 63 HN GLU 63 -3.186 -1.981 -7.063 483 HA GLU 63 HA GLU 63 -4.422 0.631 -7.046 484 1HB GLU 63 HB2 GLU 63 -5.787 -1.415 -6.925 485 2HB GLU 63 HB1 GLU 63 -5.031 -1.823 -5.393 486 1HG GLU 63 HG2 GLU 63 -6.976 -0.873 -4.675 487 2HG GLU 63 HG1 GLU 63 -5.904 0.528 -4.669 488 H PHE 64 HN PHE 64 -2.132 -1.146 -5.113 489 HA PHE 64 HA PHE 64 -2.416 0.665 -2.863 490 1HB PHE 64 HB2 PHE 64 -0.965 -0.761 -1.670 491 2HB PHE 64 HB1 PHE 64 -1.928 -1.845 -2.665 492 HD1 PHE 64 HD1 PHE 64 -0.864 -3.522 -3.764 493 HD2 PHE 64 HD2 PHE 64 1.330 -0.004 -2.809 494 HE1 PHE 64 HE1 PHE 64 1.182 -4.562 -4.646 495 HE2 PHE 64 HE2 PHE 64 3.378 -1.037 -3.694 496 HZ PHE 64 HZ PHE 64 3.306 -3.319 -4.614 497 H GLN 65 HN GLN 65 -0.360 0.227 -5.631 498 HA GLN 65 HA GLN 65 1.667 2.045 -4.663 499 1HB GLN 65 HB2 GLN 65 2.749 1.708 -6.792 500 2HB GLN 65 HB1 GLN 65 2.211 0.151 -6.177 501 1HG GLN 65 HG2 GLN 65 1.207 -0.207 -8.110 502 2HG GLN 65 HG1 GLN 65 0.102 1.116 -7.742 503 1HE2 GLN 65 HE21 GLN 65 0.562 3.193 -8.569 504 2HE2 GLN 65 HE22 GLN 65 1.585 3.401 -9.945 505 H GLN 66 HN GLN 66 -1.195 2.173 -6.653 506 HA GLN 66 HA GLN 66 -0.759 4.581 -7.998 507 1HB GLN 66 HB2 GLN 66 -2.619 2.979 -8.447 508 2HB GLN 66 HB1 GLN 66 -3.405 3.537 -6.977 509 1HG GLN 66 HG2 GLN 66 -4.359 5.179 -8.097 510 2HG GLN 66 HG1 GLN 66 -2.775 5.813 -8.541 511 1HE2 GLN 66 HE21 GLN 66 -4.387 2.802 -9.459 512 2HE2 GLN 66 HE22 GLN 66 -4.377 3.108 -11.160 513 H VAL 67 HN VAL 67 -1.718 3.929 -4.710 514 HA VAL 67 HA VAL 67 -2.789 6.402 -3.980 515 HB VAL 67 HB VAL 67 -1.298 4.290 -2.429 516 1HG1 VAL 67 HG11 VAL 67 -2.590 5.813 -0.528 517 2HG1 VAL 67 HG12 VAL 67 -1.863 7.020 -1.588 518 3HG1 VAL 67 HG13 VAL 67 -0.854 5.788 -0.838 519 1HG2 VAL 67 HG21 VAL 67 -3.973 4.642 -3.292 520 2HG2 VAL 67 HG22 VAL 67 -3.952 4.779 -1.534 521 3HG2 VAL 67 HG23 VAL 67 -3.294 3.341 -2.315 522 H LEU 68 HN LEU 68 0.548 5.252 -3.459 523 HA LEU 68 HA LEU 68 1.625 7.750 -2.680 524 1HB LEU 68 HB2 LEU 68 2.811 5.207 -3.759 525 2HB LEU 68 HB1 LEU 68 3.810 6.609 -3.414 526 HG LEU 68 HG LEU 68 2.325 6.341 -1.101 527 1HD1 LEU 68 HD11 LEU 68 3.302 3.642 -1.124 528 2HD1 LEU 68 HD12 LEU 68 2.129 3.858 -2.423 529 3HD1 LEU 68 HD13 LEU 68 1.680 4.233 -0.758 530 1HD2 LEU 68 HD21 LEU 68 5.078 5.344 -1.828 531 2HD2 LEU 68 HD22 LEU 68 4.466 5.406 -0.174 532 3HD2 LEU 68 HD23 LEU 68 4.642 6.893 -1.106 533 H ASP 69 HN ASP 69 0.547 6.647 -5.722 534 HA ASP 69 HA ASP 69 2.316 8.086 -7.415 535 1HB ASP 69 HB2 ASP 69 0.355 6.264 -7.869 536 2HB ASP 69 HB1 ASP 69 -0.498 7.746 -8.286 537 H GLU 70 HN GLU 70 -0.939 8.774 -6.150 538 HA GLU 70 HA GLU 70 -1.197 11.401 -7.118 539 1HB GLU 70 HB2 GLU 70 -2.893 9.800 -5.844 540 2HB GLU 70 HB1 GLU 70 -2.286 10.645 -4.423 541 1HG GLU 70 HG2 GLU 70 -3.877 12.129 -4.823 542 2HG GLU 70 HG1 GLU 70 -2.846 12.701 -6.136 543 H LEU 71 HN LEU 71 0.356 9.993 -4.369 544 HA LEU 71 HA LEU 71 0.859 12.269 -2.824 545 1HB LEU 71 HB2 LEU 71 1.015 9.876 -2.128 546 2HB LEU 71 HB1 LEU 71 2.509 9.761 -3.035 547 HG LEU 71 HG LEU 71 2.862 11.960 -1.380 548 1HD1 LEU 71 HD11 LEU 71 2.263 9.924 0.578 549 2HD1 LEU 71 HD12 LEU 71 0.824 10.483 -0.271 550 3HD1 LEU 71 HD13 LEU 71 1.854 11.638 0.573 551 1HD2 LEU 71 HD21 LEU 71 4.297 10.170 -0.120 552 2HD2 LEU 71 HD22 LEU 71 4.712 10.683 -1.755 553 3HD2 LEU 71 HD23 LEU 71 3.854 9.165 -1.501 554 H ASN 72 HN ASN 72 3.229 10.428 -4.736 555 HA ASN 72 HA ASN 72 5.317 12.206 -4.632 556 1HB ASN 72 HB2 ASN 72 5.283 9.860 -5.615 557 2HB ASN 72 HB1 ASN 72 4.680 10.593 -7.098 558 1HD2 ASN 72 HD21 ASN 72 6.090 11.435 -8.486 559 2HD2 ASN 72 HD22 ASN 72 7.779 11.639 -8.189 560 H ASN 73 HN ASN 73 2.399 12.495 -6.466 561 HA ASN 73 HA ASN 73 3.474 14.491 -8.256 562 1HB ASN 73 HB2 ASN 73 0.888 13.068 -7.942 563 2HB ASN 73 HB1 ASN 73 0.836 14.660 -8.694 564 1HD2 ASN 73 HD21 ASN 73 2.031 15.005 -10.617 565 2HD2 ASN 73 HD22 ASN 73 2.445 13.683 -11.648 566 H HIS 74 HN HIS 74 2.532 14.597 -5.055 567 HA HIS 74 HA HIS 74 2.211 17.487 -5.219 568 1HB HIS 74 HB2 HIS 74 0.031 15.623 -4.387 569 2HB HIS 74 HB1 HIS 74 0.188 17.167 -3.557 570 HD1 HIS 74 HD1 HIS 74 0.426 19.263 -5.456 571 HD2 HIS 74 HD2 HIS 74 -1.636 15.808 -6.492 572 HE1 HIS 74 HE1 HIS 74 -1.040 19.911 -7.392 573 HE2 HIS 74 HE2 HIS 74 -2.218 17.786 -8.055 574 H LEU 75 HN LEU 75 4.291 15.839 -4.161 575 HA LEU 75 HA LEU 75 4.051 15.673 -1.331 576 1HB LEU 75 HB2 LEU 75 6.068 15.128 -3.300 577 2HB LEU 75 HB1 LEU 75 6.764 16.033 -1.964 578 HG LEU 75 HG LEU 75 6.984 13.672 -1.528 579 1HD1 LEU 75 HD11 LEU 75 6.250 13.675 0.651 580 2HD1 LEU 75 HD12 LEU 75 4.724 14.459 0.243 581 3HD1 LEU 75 HD13 LEU 75 6.218 15.399 0.277 582 1HD2 LEU 75 HD21 LEU 75 4.661 12.518 -1.076 583 2HD2 LEU 75 HD22 LEU 75 5.393 12.512 -2.680 584 3HD2 LEU 75 HD23 LEU 75 4.121 13.670 -2.293 585 H GLN 76 HN GLN 76 3.160 17.639 -0.765 586 HA GLN 76 HA GLN 76 4.314 20.134 -1.387 587 1HB GLN 76 HB2 GLN 76 2.189 19.150 0.426 588 2HB GLN 76 HB1 GLN 76 2.915 20.694 0.854 589 1HG GLN 76 HG2 GLN 76 1.664 20.024 -1.801 590 2HG GLN 76 HG1 GLN 76 0.907 20.960 -0.511 591 1HE2 GLN 76 HE21 GLN 76 3.282 20.941 -3.032 592 2HE2 GLN 76 HE22 GLN 76 3.620 22.636 -3.012 593 H GLY 77 HN GLY 77 6.572 19.223 -0.819 594 1HA GLY 77 HA2 GLY 77 8.447 19.495 0.481 595 2HA GLY 77 HA1 GLY 77 7.487 20.544 1.515 596 H GLY 78 HN GLY 78 7.414 17.063 0.716 597 1HA GLY 78 HA2 GLY 78 8.001 16.403 3.486 598 2HA GLY 78 HA1 GLY 78 6.391 15.973 2.932 599 H LYS 79 HN LYS 79 9.144 15.891 0.802 600 HA LYS 79 HA LYS 79 8.769 13.442 -0.293 601 1HB LYS 79 HB2 LYS 79 11.329 14.915 0.279 602 2HB LYS 79 HB1 LYS 79 11.313 13.400 -0.613 603 1HG LYS 79 HG2 LYS 79 9.473 15.525 -1.536 604 2HG LYS 79 HG1 LYS 79 11.200 15.772 -1.804 605 1HD LYS 79 HD2 LYS 79 10.554 14.671 -3.735 606 2HD LYS 79 HD1 LYS 79 11.140 13.346 -2.728 607 1HE LYS 79 HE2 LYS 79 8.900 12.747 -2.112 608 2HE LYS 79 HE1 LYS 79 8.250 14.173 -2.921 609 1HZ LYS 79 HZ1 LYS 79 7.920 12.703 -4.574 610 2HZ LYS 79 HZ2 LYS 79 9.126 11.642 -4.045 611 3HZ LYS 79 HZ3 LYS 79 9.544 13.020 -4.932 612 H HIS 80 HN HIS 80 10.065 14.073 2.869 613 HA HIS 80 HA HIS 80 11.397 11.675 3.381 614 1HB HIS 80 HB2 HIS 80 11.128 12.180 5.730 615 2HB HIS 80 HB1 HIS 80 11.436 13.680 4.864 616 HD1 HIS 80 HD1 HIS 80 8.877 11.924 6.900 617 HD2 HIS 80 HD2 HIS 80 9.229 15.455 4.740 618 HE1 HIS 80 HE1 HIS 80 6.915 13.334 7.595 619 HE2 HIS 80 HE2 HIS 80 7.101 15.431 6.210 620 H THR 81 HN THR 81 7.996 12.521 3.663 621 HA THR 81 HA THR 81 7.031 10.173 4.872 622 HB THR 81 HB THR 81 5.873 12.307 3.132 623 HG1 THR 81 HG1 THR 81 5.582 11.425 5.783 624 1HG2 THR 81 HG21 THR 81 4.466 10.740 2.272 625 2HG2 THR 81 HG22 THR 81 3.610 11.169 3.751 626 3HG2 THR 81 HG23 THR 81 4.578 9.690 3.691 627 H VAL 82 HN VAL 82 7.238 11.040 1.421 628 HA VAL 82 HA VAL 82 6.279 8.610 0.471 629 HB VAL 82 HB VAL 82 8.385 9.771 -1.211 630 1HG1 VAL 82 HG11 VAL 82 7.134 8.342 -2.437 631 2HG1 VAL 82 HG12 VAL 82 6.102 9.754 -2.650 632 3HG1 VAL 82 HG13 VAL 82 5.703 8.548 -1.424 633 1HG2 VAL 82 HG21 VAL 82 6.885 11.679 -1.854 634 2HG2 VAL 82 HG22 VAL 82 7.674 11.840 -0.287 635 3HG2 VAL 82 HG23 VAL 82 5.976 11.372 -0.373 636 H HIS 83 HN HIS 83 9.683 9.649 0.654 637 HA HIS 83 HA HIS 83 10.936 7.347 -0.062 638 1HB HIS 83 HB2 HIS 83 12.034 9.503 0.654 639 2HB HIS 83 HB1 HIS 83 11.800 8.996 2.323 640 HD1 HIS 83 HD1 HIS 83 13.206 6.930 3.134 641 HD2 HIS 83 HD2 HIS 83 14.164 8.326 -0.661 642 HE1 HIS 83 HE1 HIS 83 15.419 5.878 2.570 643 HE2 HIS 83 HE2 HIS 83 16.020 6.806 0.306 644 H HIS 84 HN HIS 84 9.454 8.058 3.063 645 HA HIS 84 HA HIS 84 10.260 5.570 4.250 646 1HB HIS 84 HB2 HIS 84 9.545 7.885 5.344 647 2HB HIS 84 HB1 HIS 84 7.956 7.127 5.326 648 HD1 HIS 84 HD1 HIS 84 11.282 5.478 6.115 649 HD2 HIS 84 HD2 HIS 84 7.665 6.415 7.934 650 HE1 HIS 84 HE1 HIS 84 11.373 4.403 8.386 651 HE2 HIS 84 HE2 HIS 84 9.140 4.912 9.435 652 H ILE 85 HN ILE 85 7.197 6.872 3.010 653 HA ILE 85 HA ILE 85 5.767 4.436 3.405 654 HB ILE 85 HB ILE 85 4.656 6.644 3.466 655 1HG1 ILE 85 HG12 ILE 85 3.729 4.428 1.753 656 2HG1 ILE 85 HG11 ILE 85 2.997 5.160 3.167 657 1HG2 ILE 85 HG21 ILE 85 4.244 7.242 0.810 658 2HG2 ILE 85 HG22 ILE 85 5.956 6.862 0.949 659 3HG2 ILE 85 HG23 ILE 85 5.236 8.104 1.978 660 1HD1 ILE 85 HD11 ILE 85 2.064 5.391 0.636 661 2HD1 ILE 85 HD12 ILE 85 2.973 6.883 0.811 662 3HD1 ILE 85 HD13 ILE 85 1.693 6.490 1.953 663 H GLU 86 HN GLU 86 7.865 5.534 0.934 664 HA GLU 86 HA GLU 86 6.703 3.743 -1.065 665 1HB GLU 86 HB2 GLU 86 8.343 4.671 -2.624 666 2HB GLU 86 HB1 GLU 86 7.414 5.947 -1.854 667 1HG GLU 86 HG2 GLU 86 9.270 6.929 -1.231 668 2HG GLU 86 HG1 GLU 86 9.730 5.510 -0.301 669 H GLN 87 HN GLN 87 9.719 4.153 0.794 670 HA GLN 87 HA GLN 87 11.000 1.853 -0.258 671 1HB GLN 87 HB2 GLN 87 11.363 3.589 2.131 672 2HB GLN 87 HB1 GLN 87 12.028 1.969 2.236 673 1HG GLN 87 HG2 GLN 87 13.560 3.832 1.429 674 2HG GLN 87 HG1 GLN 87 13.532 2.334 0.502 675 1HE2 GLN 87 HE21 GLN 87 12.437 2.304 -1.504 676 2HE2 GLN 87 HE22 GLN 87 12.155 3.761 -2.388 677 H ASN 88 HN ASN 88 8.474 2.429 1.957 678 HA ASN 88 HA ASN 88 8.502 -0.162 3.216 679 1HB ASN 88 HB2 ASN 88 6.911 2.351 3.397 680 2HB ASN 88 HB1 ASN 88 6.101 0.856 3.870 681 1HD2 ASN 88 HD21 ASN 88 9.464 1.901 4.244 682 2HD2 ASN 88 HD22 ASN 88 9.498 1.765 5.966 683 H ILE 89 HN ILE 89 6.184 1.616 1.173 684 HA ILE 89 HA ILE 89 4.604 -0.640 0.596 685 HB ILE 89 HB ILE 89 4.548 2.144 -0.059 686 1HG1 ILE 89 HG12 ILE 89 2.208 0.609 -0.776 687 2HG1 ILE 89 HG11 ILE 89 2.878 0.095 0.769 688 1HG2 ILE 89 HG21 ILE 89 5.209 1.598 -2.313 689 2HG2 ILE 89 HG22 ILE 89 3.493 2.005 -2.292 690 3HG2 ILE 89 HG23 ILE 89 3.998 0.318 -2.391 691 1HD1 ILE 89 HD11 ILE 89 2.855 2.928 0.760 692 2HD1 ILE 89 HD12 ILE 89 1.901 1.822 1.749 693 3HD1 ILE 89 HD13 ILE 89 1.278 2.373 0.196 694 H LYS 90 HN LYS 90 7.082 1.019 -1.347 695 HA LYS 90 HA LYS 90 6.874 -0.666 -3.551 696 1HB LYS 90 HB2 LYS 90 8.238 1.545 -3.221 697 2HB LYS 90 HB1 LYS 90 9.530 0.463 -2.719 698 1HG LYS 90 HG2 LYS 90 9.919 0.841 -4.986 699 2HG LYS 90 HG1 LYS 90 9.150 -0.746 -4.929 700 1HD LYS 90 HD2 LYS 90 6.981 0.855 -5.166 701 2HD LYS 90 HD1 LYS 90 8.179 1.793 -6.062 702 1HE LYS 90 HE2 LYS 90 7.606 0.482 -7.788 703 2HE LYS 90 HE1 LYS 90 8.636 -0.717 -7.007 704 1HZ LYS 90 HZ1 LYS 90 6.801 -1.794 -6.084 705 2HZ LYS 90 HZ2 LYS 90 6.305 -1.430 -7.660 706 3HZ LYS 90 HZ3 LYS 90 5.759 -0.490 -6.363 707 H GLU 91 HN GLU 91 8.346 -1.107 -0.462 708 HA GLU 91 HA GLU 91 9.754 -3.518 -1.293 709 1HB GLU 91 HB2 GLU 91 10.817 -1.948 0.311 710 2HB GLU 91 HB1 GLU 91 9.515 -2.267 1.451 711 1HG GLU 91 HG2 GLU 91 10.277 -4.362 1.954 712 2HG GLU 91 HG1 GLU 91 11.073 -4.567 0.393 713 H ILE 92 HN ILE 92 6.657 -2.702 -0.461 714 HA ILE 92 HA ILE 92 6.007 -4.946 1.187 715 HB ILE 92 HB ILE 92 4.671 -2.546 0.336 716 1HG1 ILE 92 HG12 ILE 92 3.355 -2.983 2.360 717 2HG1 ILE 92 HG11 ILE 92 4.009 -4.613 2.435 718 1HG2 ILE 92 HG21 ILE 92 3.409 -3.953 -1.188 719 2HG2 ILE 92 HG22 ILE 92 2.389 -3.418 0.147 720 3HG2 ILE 92 HG23 ILE 92 3.030 -5.060 0.131 721 1HD1 ILE 92 HD11 ILE 92 5.301 -2.020 3.064 722 2HD1 ILE 92 HD12 ILE 92 6.301 -3.338 2.449 723 3HD1 ILE 92 HD13 ILE 92 5.361 -3.557 3.927 724 H PHE 93 HN PHE 93 5.457 -3.975 -2.178 725 HA PHE 93 HA PHE 93 4.008 -6.112 -3.110 726 1HB PHE 93 HB2 PHE 93 4.504 -5.335 -5.202 727 2HB PHE 93 HB1 PHE 93 5.130 -3.964 -4.289 728 HD1 PHE 93 HD1 PHE 93 5.862 -5.926 -6.960 729 HD2 PHE 93 HD2 PHE 93 7.628 -4.607 -3.325 730 HE1 PHE 93 HE1 PHE 93 8.097 -6.343 -7.897 731 HE2 PHE 93 HE2 PHE 93 9.855 -5.025 -4.245 732 HZ PHE 93 HZ PHE 93 10.105 -5.885 -6.544 733 H HIS 94 HN HIS 94 7.359 -6.008 -2.164 734 HA HIS 94 HA HIS 94 8.287 -8.325 -3.461 735 1HB HIS 94 HB2 HIS 94 9.725 -6.600 -2.335 736 2HB HIS 94 HB1 HIS 94 9.214 -7.260 -0.785 737 HD1 HIS 94 HD1 HIS 94 10.729 -8.975 0.148 738 HD2 HIS 94 HD2 HIS 94 11.036 -8.730 -3.988 739 HE1 HIS 94 HE1 HIS 94 12.560 -10.579 -0.485 740 HE2 HIS 94 HE2 HIS 94 12.778 -10.357 -2.986 741 H HIS 95 HN HIS 95 7.421 -7.942 -0.028 742 HA HIS 95 HA HIS 95 7.245 -10.727 0.448 743 1HB HIS 95 HB2 HIS 95 6.353 -8.281 1.946 744 2HB HIS 95 HB1 HIS 95 5.874 -9.882 2.498 745 HD1 HIS 95 HD1 HIS 95 8.465 -11.434 2.090 746 HD2 HIS 95 HD2 HIS 95 8.305 -7.612 3.711 747 HE1 HIS 95 HE1 HIS 95 10.570 -11.190 3.445 748 HE2 HIS 95 HE2 HIS 95 10.403 -8.906 4.495 749 H LEU 96 HN LEU 96 5.250 -8.652 -1.298 750 HA LEU 96 HA LEU 96 2.779 -10.069 -0.666 751 1HB LEU 96 HB2 LEU 96 3.442 -7.792 -2.521 752 2HB LEU 96 HB1 LEU 96 1.854 -8.539 -2.474 753 HG LEU 96 HG LEU 96 3.235 -6.960 -0.337 754 1HD1 LEU 96 HD11 LEU 96 2.072 -5.573 -1.863 755 2HD1 LEU 96 HD12 LEU 96 1.031 -5.716 -0.446 756 3HD1 LEU 96 HD13 LEU 96 0.681 -6.656 -1.896 757 1HD2 LEU 96 HD21 LEU 96 0.741 -8.628 -0.056 758 2HD2 LEU 96 HD22 LEU 96 1.311 -7.442 1.124 759 3HD2 LEU 96 HD23 LEU 96 2.277 -8.878 0.775 760 H GLU 97 HN GLU 97 4.625 -9.353 -3.624 761 HA GLU 97 HA GLU 97 3.350 -11.400 -5.131 762 1HB GLU 97 HB2 GLU 97 5.983 -10.005 -5.661 763 2HB GLU 97 HB1 GLU 97 5.054 -10.936 -6.828 764 1HG GLU 97 HG2 GLU 97 3.238 -9.316 -6.685 765 2HG GLU 97 HG1 GLU 97 4.157 -8.388 -5.501 766 H GLU 98 HN GLU 98 5.704 -11.439 -2.714 767 HA GLU 98 HA GLU 98 7.078 -13.810 -3.689 768 1HB GLU 98 HB2 GLU 98 8.342 -12.130 -2.434 769 2HB GLU 98 HB1 GLU 98 7.283 -12.351 -1.049 770 1HG GLU 98 HG2 GLU 98 8.382 -14.872 -1.867 771 2HG GLU 98 HG1 GLU 98 9.668 -13.692 -1.618 772 H LEU 99 HN LEU 99 4.373 -13.012 -1.719 773 HA LEU 99 HA LEU 99 4.294 -15.444 -0.214 774 1HB LEU 99 HB2 LEU 99 3.239 -13.332 0.537 775 2HB LEU 99 HB1 LEU 99 2.089 -13.461 -0.780 776 HG LEU 99 HG LEU 99 1.378 -15.682 0.230 777 1HD1 LEU 99 HD11 LEU 99 3.086 -16.283 1.679 778 2HD1 LEU 99 HD12 LEU 99 1.832 -15.687 2.767 779 3HD1 LEU 99 HD13 LEU 99 3.210 -14.664 2.365 780 1HD2 LEU 99 HD21 LEU 99 0.873 -12.964 1.272 781 2HD2 LEU 99 HD22 LEU 99 0.302 -14.307 2.262 782 3HD2 LEU 99 HD23 LEU 99 -0.244 -14.148 0.594 783 H VAL 100 HN VAL 100 2.170 -14.172 -2.784 784 HA VAL 100 HA VAL 100 0.774 -16.557 -3.222 785 HB VAL 100 HB VAL 100 1.311 -14.441 -5.302 786 1HG1 VAL 100 HG11 VAL 100 -1.226 -15.248 -5.693 787 2HG1 VAL 100 HG12 VAL 100 -0.519 -16.742 -5.076 788 3HG1 VAL 100 HG13 VAL 100 0.164 -15.968 -6.506 789 1HG2 VAL 100 HG21 VAL 100 -0.891 -13.500 -4.442 790 2HG2 VAL 100 HG22 VAL 100 0.533 -13.239 -3.434 791 3HG2 VAL 100 HG23 VAL 100 -0.631 -14.496 -3.008 792 H HIS 101 HN HIS 101 3.713 -15.302 -4.743 793 HA HIS 101 HA HIS 101 3.954 -17.250 -6.748 794 1HB HIS 101 HB2 HIS 101 5.856 -15.382 -5.393 795 2HB HIS 101 HB1 HIS 101 6.504 -16.650 -6.427 796 HD1 HIS 101 HD1 HIS 101 3.268 -15.201 -7.474 797 HD2 HIS 101 HD2 HIS 101 7.309 -14.583 -8.225 798 HE1 HIS 101 HE1 HIS 101 3.357 -13.748 -9.524 799 HE2 HIS 101 HE2 HIS 101 5.812 -13.463 -10.012 800 H ARG 102 HN ARG 102 4.760 -17.289 -3.353 801 HA ARG 102 HA ARG 102 6.487 -19.518 -3.360 802 1HB ARG 102 HB2 ARG 102 5.569 -17.743 -1.464 803 2HB ARG 102 HB1 ARG 102 4.811 -19.251 -0.972 804 1HG ARG 102 HG2 ARG 102 7.165 -20.262 -1.202 805 2HG ARG 102 HG1 ARG 102 7.719 -18.587 -1.176 806 1HD ARG 102 HD2 ARG 102 7.391 -18.414 1.026 807 2HD ARG 102 HD1 ARG 102 5.788 -19.142 0.920 808 HE ARG 102 HE ARG 102 6.713 -21.061 1.706 809 1HH1 ARG 102 HH11 ARG 102 9.223 -19.238 0.109 810 2HH1 ARG 102 HH12 ARG 102 10.468 -20.382 0.488 811 1HH2 ARG 102 HH21 ARG 102 8.348 -22.565 2.207 812 2HH2 ARG 102 HH22 ARG 102 9.971 -22.271 1.679 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -3.010 -22.345 2.522 2 2H MET 1 HT2 MET 1 -1.339 -22.255 2.904 3 3H MET 1 HT3 MET 1 -2.045 -21.097 1.851 4 HA MET 1 HA MET 1 -3.465 -20.371 3.668 5 1HB MET 1 HB2 MET 1 -2.653 -22.759 4.785 6 2HB MET 1 HB1 MET 1 -1.716 -21.576 5.688 7 1HG MET 1 HG2 MET 1 -3.595 -20.572 6.579 8 2HG MET 1 HG1 MET 1 -4.652 -21.191 5.311 9 1HE MET 1 HE1 MET 1 -5.809 -24.244 5.897 10 2HE MET 1 HE2 MET 1 -4.186 -24.931 5.938 11 3HE MET 1 HE3 MET 1 -4.567 -23.637 4.802 12 H TYR 2 HN TYR 2 -2.697 -18.370 3.339 13 HA TYR 2 HA TYR 2 -0.192 -17.636 4.627 14 1HB TYR 2 HB2 TYR 2 -0.679 -17.523 1.685 15 2HB TYR 2 HB1 TYR 2 0.217 -16.200 2.425 16 HD1 TYR 2 HD1 TYR 2 0.814 -18.868 0.545 17 HD2 TYR 2 HD2 TYR 2 1.867 -17.462 4.419 18 HE1 TYR 2 HE1 TYR 2 2.863 -20.224 0.473 19 HE2 TYR 2 HE2 TYR 2 3.920 -18.814 4.358 20 HH TYR 2 HH TYR 2 5.422 -19.787 2.244 21 H GLY 3 HN GLY 3 -1.555 -16.543 6.100 22 1HA GLY 3 HA2 GLY 3 -2.888 -14.159 4.973 23 2HA GLY 3 HA1 GLY 3 -3.443 -14.995 6.413 24 H LYS 4 HN LYS 4 -0.358 -15.215 7.001 25 HA LYS 4 HA LYS 4 -0.323 -12.962 8.757 26 1HB LYS 4 HB2 LYS 4 0.765 -15.215 9.205 27 2HB LYS 4 HB1 LYS 4 2.020 -14.734 8.068 28 1HG LYS 4 HG2 LYS 4 3.023 -14.067 9.978 29 2HG LYS 4 HG1 LYS 4 2.092 -12.603 9.651 30 1HD LYS 4 HD2 LYS 4 0.989 -14.835 11.333 31 2HD LYS 4 HD1 LYS 4 2.007 -13.570 12.024 32 1HE LYS 4 HE2 LYS 4 0.232 -12.082 10.628 33 2HE LYS 4 HE1 LYS 4 -0.776 -13.459 11.068 34 1HZ LYS 4 HZ1 LYS 4 -0.434 -11.369 12.645 35 2HZ LYS 4 HZ2 LYS 4 0.860 -12.314 13.186 36 3HZ LYS 4 HZ3 LYS 4 -0.716 -12.926 13.246 37 H LEU 5 HN LEU 5 0.694 -13.455 5.524 38 HA LEU 5 HA LEU 5 2.814 -11.681 5.316 39 1HB LEU 5 HB2 LEU 5 1.450 -13.130 3.522 40 2HB LEU 5 HB1 LEU 5 0.725 -11.564 3.205 41 HG LEU 5 HG LEU 5 2.511 -11.791 1.666 42 1HD1 LEU 5 HD11 LEU 5 2.302 -9.620 2.942 43 2HD1 LEU 5 HD12 LEU 5 3.856 -9.914 2.163 44 3HD1 LEU 5 HD13 LEU 5 3.681 -10.157 3.902 45 1HD2 LEU 5 HD21 LEU 5 4.669 -12.118 3.635 46 2HD2 LEU 5 HD22 LEU 5 4.460 -12.851 2.046 47 3HD2 LEU 5 HD23 LEU 5 3.615 -13.519 3.442 48 H ASN 6 HN ASN 6 -0.508 -11.142 6.031 49 HA ASN 6 HA ASN 6 -0.707 -8.444 5.313 50 1HB ASN 6 HB2 ASN 6 -2.690 -9.728 5.716 51 2HB ASN 6 HB1 ASN 6 -2.195 -10.032 7.377 52 1HD2 ASN 6 HD21 ASN 6 -2.634 -7.247 5.220 53 2HD2 ASN 6 HD22 ASN 6 -3.485 -6.276 6.367 54 H ASP 7 HN ASP 7 0.452 -10.066 8.202 55 HA ASP 7 HA ASP 7 0.570 -7.986 10.005 56 1HB ASP 7 HB2 ASP 7 1.458 -10.514 10.076 57 2HB ASP 7 HB1 ASP 7 2.996 -9.706 9.787 58 H LEU 8 HN LEU 8 2.577 -8.672 7.236 59 HA LEU 8 HA LEU 8 4.331 -6.411 7.737 60 1HB LEU 8 HB2 LEU 8 5.344 -8.422 6.854 61 2HB LEU 8 HB1 LEU 8 4.214 -8.451 5.515 62 HG LEU 8 HG LEU 8 6.575 -7.668 5.009 63 1HD1 LEU 8 HD11 LEU 8 5.751 -6.658 3.202 64 2HD1 LEU 8 HD12 LEU 8 4.915 -5.430 4.152 65 3HD1 LEU 8 HD13 LEU 8 4.168 -7.007 3.897 66 1HD2 LEU 8 HD21 LEU 8 6.943 -5.225 5.450 67 2HD2 LEU 8 HD22 LEU 8 7.040 -6.267 6.868 68 3HD2 LEU 8 HD23 LEU 8 5.595 -5.298 6.584 69 H LEU 9 HN LEU 9 1.548 -7.289 5.802 70 HA LEU 9 HA LEU 9 1.790 -5.129 3.955 71 1HB LEU 9 HB2 LEU 9 0.257 -7.388 4.096 72 2HB LEU 9 HB1 LEU 9 -0.918 -6.143 4.474 73 HG LEU 9 HG LEU 9 0.738 -6.397 1.966 74 1HD1 LEU 9 HD11 LEU 9 -1.648 -6.298 1.004 75 2HD1 LEU 9 HD12 LEU 9 -2.161 -6.708 2.642 76 3HD1 LEU 9 HD13 LEU 9 -1.099 -7.799 1.749 77 1HD2 LEU 9 HD21 LEU 9 -0.761 -4.083 3.088 78 2HD2 LEU 9 HD22 LEU 9 -0.805 -4.363 1.347 79 3HD2 LEU 9 HD23 LEU 9 0.739 -4.115 2.162 80 H GLU 10 HN GLU 10 0.488 -5.479 7.154 81 HA GLU 10 HA GLU 10 -1.306 -3.344 7.237 82 1HB GLU 10 HB2 GLU 10 -0.503 -5.212 9.019 83 2HB GLU 10 HB1 GLU 10 0.331 -3.802 9.657 84 1HG GLU 10 HG2 GLU 10 -1.891 -2.612 9.598 85 2HG GLU 10 HG1 GLU 10 -2.620 -4.182 9.265 86 H ASP 11 HN ASP 11 2.182 -3.403 7.919 87 HA ASP 11 HA ASP 11 2.613 -0.858 8.816 88 1HB ASP 11 HB2 ASP 11 4.328 -2.695 8.450 89 2HB ASP 11 HB1 ASP 11 4.403 -2.170 6.771 90 H LEU 12 HN LEU 12 2.111 -1.880 5.489 91 HA LEU 12 HA LEU 12 2.729 0.504 4.191 92 1HB LEU 12 HB2 LEU 12 2.421 -0.994 2.556 93 2HB LEU 12 HB1 LEU 12 1.383 -1.993 3.550 94 HG LEU 12 HG LEU 12 0.134 0.464 2.461 95 1HD1 LEU 12 HD11 LEU 12 0.539 0.124 0.322 96 2HD1 LEU 12 HD12 LEU 12 -0.071 -1.525 0.445 97 3HD1 LEU 12 HD13 LEU 12 1.635 -1.194 0.736 98 1HD2 LEU 12 HD21 LEU 12 -0.673 -1.999 3.579 99 2HD2 LEU 12 HD22 LEU 12 -1.242 -1.977 1.913 100 3HD2 LEU 12 HD23 LEU 12 -1.688 -0.674 3.015 101 H GLN 13 HN GLN 13 -0.522 -0.705 5.015 102 HA GLN 13 HA GLN 13 -1.925 1.574 4.346 103 1HB GLN 13 HB2 GLN 13 -2.942 -0.613 4.968 104 2HB GLN 13 HB1 GLN 13 -2.566 -0.280 6.653 105 1HG GLN 13 HG2 GLN 13 -3.963 1.960 5.688 106 2HG GLN 13 HG1 GLN 13 -4.823 0.536 5.106 107 1HE2 GLN 13 HE21 GLN 13 -5.444 2.588 7.186 108 2HE2 GLN 13 HE22 GLN 13 -5.815 1.679 8.607 109 H GLU 14 HN GLU 14 -0.120 0.862 7.269 110 HA GLU 14 HA GLU 14 -1.032 3.204 8.673 111 1HB GLU 14 HB2 GLU 14 0.467 0.855 9.306 112 2HB GLU 14 HB1 GLU 14 1.435 2.256 9.744 113 1HG GLU 14 HG2 GLU 14 0.042 2.874 11.409 114 2HG GLU 14 HG1 GLU 14 -1.398 2.312 10.563 115 H VAL 15 HN VAL 15 1.569 2.353 6.528 116 HA VAL 15 HA VAL 15 3.253 4.550 7.080 117 HB VAL 15 HB VAL 15 3.631 2.350 5.638 118 1HG1 VAL 15 HG11 VAL 15 2.593 2.450 3.655 119 2HG1 VAL 15 HG12 VAL 15 3.938 3.485 3.199 120 3HG1 VAL 15 HG13 VAL 15 2.416 4.200 3.706 121 1HG2 VAL 15 HG21 VAL 15 5.036 4.896 4.887 122 2HG2 VAL 15 HG22 VAL 15 5.685 3.251 4.934 123 3HG2 VAL 15 HG23 VAL 15 5.264 4.075 6.434 124 H LEU 16 HN LEU 16 0.462 4.082 5.030 125 HA LEU 16 HA LEU 16 0.639 6.366 3.450 126 1HB LEU 16 HB2 LEU 16 -1.657 4.728 4.454 127 2HB LEU 16 HB1 LEU 16 -1.960 6.200 3.552 128 HG LEU 16 HG LEU 16 -2.079 4.377 2.019 129 1HD1 LEU 16 HD11 LEU 16 -0.379 4.951 0.410 130 2HD1 LEU 16 HD12 LEU 16 0.612 5.686 1.670 131 3HD1 LEU 16 HD13 LEU 16 -0.935 6.409 1.229 132 1HD2 LEU 16 HD21 LEU 16 -0.266 2.792 1.690 133 2HD2 LEU 16 HD22 LEU 16 -0.848 2.738 3.352 134 3HD2 LEU 16 HD23 LEU 16 0.661 3.565 2.975 135 H LYS 17 HN LYS 17 -0.513 5.914 6.741 136 HA LYS 17 HA LYS 17 -1.855 8.208 7.317 137 1HB LYS 17 HB2 LYS 17 -1.327 6.398 8.944 138 2HB LYS 17 HB1 LYS 17 0.313 7.021 9.060 139 1HG LYS 17 HG2 LYS 17 -1.226 9.241 9.570 140 2HG LYS 17 HG1 LYS 17 -2.131 7.937 10.341 141 1HD LYS 17 HD2 LYS 17 -0.735 8.211 12.069 142 2HD LYS 17 HD1 LYS 17 0.462 7.387 11.068 143 1HE LYS 17 HE2 LYS 17 1.720 9.214 11.142 144 2HE LYS 17 HE1 LYS 17 0.469 10.074 10.247 145 1HZ LYS 17 HZ1 LYS 17 -0.498 10.116 12.756 146 2HZ LYS 17 HZ2 LYS 17 0.403 11.365 12.056 147 3HZ LYS 17 HZ3 LYS 17 1.167 10.225 13.043 148 H ASN 18 HN ASN 18 1.653 7.818 7.126 149 HA ASN 18 HA ASN 18 2.294 10.524 7.751 150 1HB ASN 18 HB2 ASN 18 3.807 8.312 6.348 151 2HB ASN 18 HB1 ASN 18 4.495 9.917 6.573 152 1HD2 ASN 18 HD21 ASN 18 3.774 6.908 8.017 153 2HD2 ASN 18 HD22 ASN 18 4.416 7.245 9.584 154 H LEU 19 HN LEU 19 1.873 8.710 4.776 155 HA LEU 19 HA LEU 19 2.546 10.604 2.890 156 1HB LEU 19 HB2 LEU 19 2.128 8.740 1.737 157 2HB LEU 19 HB1 LEU 19 1.124 8.101 3.014 158 HG LEU 19 HG LEU 19 -0.070 10.126 1.182 159 1HD1 LEU 19 HD11 LEU 19 -0.757 7.896 -0.106 160 2HD1 LEU 19 HD12 LEU 19 0.860 7.425 0.412 161 3HD1 LEU 19 HD13 LEU 19 0.635 8.867 -0.569 162 1HD2 LEU 19 HD21 LEU 19 -1.975 8.426 1.504 163 2HD2 LEU 19 HD22 LEU 19 -1.540 9.481 2.846 164 3HD2 LEU 19 HD23 LEU 19 -0.989 7.806 2.824 165 H HIS 20 HN HIS 20 -0.437 10.262 4.718 166 HA HIS 20 HA HIS 20 -2.123 11.939 3.287 167 1HB HIS 20 HB2 HIS 20 -1.916 11.261 6.205 168 2HB HIS 20 HB1 HIS 20 -3.104 12.428 5.645 169 HD1 HIS 20 HD1 HIS 20 -5.257 11.515 4.824 170 HD2 HIS 20 HD2 HIS 20 -2.310 8.603 5.038 171 HE1 HIS 20 HE1 HIS 20 -6.430 9.338 4.379 172 HE2 HIS 20 HE2 HIS 20 -4.636 7.581 4.572 173 H LYS 21 HN LYS 21 0.483 12.748 5.474 174 HA LYS 21 HA LYS 21 -0.258 15.565 5.480 175 1HB LYS 21 HB2 LYS 21 2.130 14.319 6.819 176 2HB LYS 21 HB1 LYS 21 1.335 15.840 7.211 177 1HG LYS 21 HG2 LYS 21 0.118 13.108 7.526 178 2HG LYS 21 HG1 LYS 21 0.832 14.068 8.824 179 1HD LYS 21 HD2 LYS 21 -1.385 14.625 9.073 180 2HD LYS 21 HD1 LYS 21 -0.858 15.894 7.967 181 1HE LYS 21 HE2 LYS 21 -1.988 14.998 6.180 182 2HE LYS 21 HE1 LYS 21 -1.866 13.355 6.804 183 1HZ LYS 21 HZ1 LYS 21 -4.138 14.430 6.838 184 2HZ LYS 21 HZ2 LYS 21 -3.567 15.392 8.106 185 3HZ LYS 21 HZ3 LYS 21 -3.624 13.710 8.281 186 H ASN 22 HN ASN 22 1.561 13.622 3.463 187 HA ASN 22 HA ASN 22 3.178 15.951 2.675 188 1HB ASN 22 HB2 ASN 22 4.022 13.076 2.900 189 2HB ASN 22 HB1 ASN 22 4.912 14.235 1.918 190 1HD2 ASN 22 HD21 ASN 22 3.529 13.943 5.172 191 2HD2 ASN 22 HD22 ASN 22 4.856 14.691 5.987 192 H TRP 23 HN TRP 23 0.942 13.575 1.668 193 HA TRP 23 HA TRP 23 1.704 13.277 -1.012 194 1HB TRP 23 HB2 TRP 23 -0.135 11.997 -1.175 195 2HB TRP 23 HB1 TRP 23 -0.301 12.255 0.551 196 HD1 TRP 23 HD1 TRP 23 -2.587 13.047 1.248 197 HE1 TRP 23 HE1 TRP 23 -4.559 14.252 0.156 198 HE3 TRP 23 HE3 TRP 23 -0.520 13.816 -3.305 199 HZ2 TRP 23 HZ2 TRP 23 -5.164 15.370 -2.409 200 HZ3 TRP 23 HZ3 TRP 23 -1.826 14.926 -5.032 201 HH2 TRP 23 HH2 TRP 23 -4.112 15.699 -4.607 202 H HIS 24 HN HIS 24 -0.191 15.768 0.597 203 HA HIS 24 HA HIS 24 0.468 17.723 -1.306 204 1HB HIS 24 HB2 HIS 24 -1.064 16.532 -2.777 205 2HB HIS 24 HB1 HIS 24 -2.334 16.614 -1.560 206 HD1 HIS 24 HD1 HIS 24 -0.771 18.522 -4.299 207 HD2 HIS 24 HD2 HIS 24 -3.428 19.239 -1.187 208 HE1 HIS 24 HE1 HIS 24 -1.856 20.727 -4.836 209 HE2 HIS 24 HE2 HIS 24 -3.522 21.097 -2.983 210 H GLY 25 HN GLY 25 -2.144 16.727 0.896 211 1HA GLY 25 HA2 GLY 25 -1.860 18.196 3.035 212 2HA GLY 25 HA1 GLY 25 -2.275 19.477 1.909 213 H GLY 26 HN GLY 26 -3.519 17.763 4.291 214 1HA GLY 26 HA2 GLY 26 -5.753 17.781 4.979 215 2HA GLY 26 HA1 GLY 26 -6.233 18.150 3.328 216 H LYS 27 HN LYS 27 -5.747 15.696 5.671 217 HA LYS 27 HA LYS 27 -5.502 13.395 4.179 218 1HB LYS 27 HB2 LYS 27 -5.418 12.955 6.425 219 2HB LYS 27 HB1 LYS 27 -6.740 14.050 6.804 220 1HG LYS 27 HG2 LYS 27 -8.355 12.435 6.008 221 2HG LYS 27 HG1 LYS 27 -7.058 11.349 5.505 222 1HD LYS 27 HD2 LYS 27 -7.632 12.232 8.333 223 2HD LYS 27 HD1 LYS 27 -8.018 10.655 7.643 224 1HE LYS 27 HE2 LYS 27 -6.036 10.058 8.525 225 2HE LYS 27 HE1 LYS 27 -5.380 10.817 7.075 226 1HZ LYS 27 HZ1 LYS 27 -5.459 12.937 8.558 227 2HZ LYS 27 HZ2 LYS 27 -4.178 11.842 8.711 228 3HZ LYS 27 HZ3 LYS 27 -5.444 11.824 9.832 229 H ASP 28 HN ASP 28 -8.225 15.527 4.442 230 HA ASP 28 HA ASP 28 -10.319 13.861 3.689 231 1HB ASP 28 HB2 ASP 28 -9.771 16.762 3.576 232 2HB ASP 28 HB1 ASP 28 -10.990 16.183 2.444 233 H ASN 29 HN ASN 29 -7.718 15.234 1.810 234 HA ASN 29 HA ASN 29 -8.925 14.467 -0.717 235 1HB ASN 29 HB2 ASN 29 -7.148 16.437 -0.015 236 2HB ASN 29 HB1 ASN 29 -6.086 15.227 -0.727 237 1HD2 ASN 29 HD21 ASN 29 -8.173 17.772 -1.326 238 2HD2 ASN 29 HD22 ASN 29 -8.335 17.579 -3.035 239 H LEU 30 HN LEU 30 -6.425 13.375 1.487 240 HA LEU 30 HA LEU 30 -5.350 11.364 -0.231 241 1HB LEU 30 HB2 LEU 30 -4.266 12.463 1.811 242 2HB LEU 30 HB1 LEU 30 -5.254 11.398 2.776 243 HG LEU 30 HG LEU 30 -3.014 10.517 2.592 244 1HD1 LEU 30 HD11 LEU 30 -5.278 9.094 2.209 245 2HD1 LEU 30 HD12 LEU 30 -3.677 8.403 2.447 246 3HD1 LEU 30 HD13 LEU 30 -4.315 8.606 0.818 247 1HD2 LEU 30 HD21 LEU 30 -2.565 9.582 0.098 248 2HD2 LEU 30 HD22 LEU 30 -1.910 11.095 0.722 249 3HD2 LEU 30 HD23 LEU 30 -3.371 11.111 -0.264 250 H HIS 31 HN HIS 31 -7.933 11.536 2.122 251 HA HIS 31 HA HIS 31 -8.423 8.887 2.677 252 1HB HIS 31 HB2 HIS 31 -9.854 11.356 2.879 253 2HB HIS 31 HB1 HIS 31 -10.950 10.128 2.259 254 HD1 HIS 31 HD1 HIS 31 -8.321 8.958 4.592 255 HD2 HIS 31 HD2 HIS 31 -12.276 10.214 4.776 256 HE1 HIS 31 HE1 HIS 31 -9.138 8.271 6.867 257 HE2 HIS 31 HE2 HIS 31 -11.502 9.131 6.993 258 H ASP 32 HN ASP 32 -9.228 10.706 -0.221 259 HA ASP 32 HA ASP 32 -10.803 8.609 -1.374 260 1HB ASP 32 HB2 ASP 32 -10.111 11.343 -2.023 261 2HB ASP 32 HB1 ASP 32 -9.977 10.307 -3.441 262 H VAL 33 HN VAL 33 -7.438 9.429 -1.346 263 HA VAL 33 HA VAL 33 -6.867 7.689 -3.602 264 HB VAL 33 HB VAL 33 -5.699 9.911 -3.105 265 1HG1 VAL 33 HG11 VAL 33 -3.632 9.720 -1.776 266 2HG1 VAL 33 HG12 VAL 33 -4.166 8.135 -1.222 267 3HG1 VAL 33 HG13 VAL 33 -5.092 9.574 -0.806 268 1HG2 VAL 33 HG21 VAL 33 -4.715 7.450 -4.238 269 2HG2 VAL 33 HG22 VAL 33 -3.403 8.481 -3.663 270 3HG2 VAL 33 HG23 VAL 33 -4.570 9.105 -4.828 271 H ASP 34 HN ASP 34 -6.076 7.818 -0.115 272 HA ASP 34 HA ASP 34 -4.782 5.283 -0.147 273 1HB ASP 34 HB2 ASP 34 -4.115 6.597 1.660 274 2HB ASP 34 HB1 ASP 34 -5.766 7.093 2.036 275 H ASN 35 HN ASN 35 -8.090 6.300 -0.005 276 HA ASN 35 HA ASN 35 -9.294 4.123 1.255 277 1HB ASN 35 HB2 ASN 35 -10.135 6.205 -0.630 278 2HB ASN 35 HB1 ASN 35 -11.019 4.697 -0.834 279 1HD2 ASN 35 HD21 ASN 35 -12.941 5.206 0.012 280 2HD2 ASN 35 HD22 ASN 35 -13.195 5.726 1.640 281 H HIS 36 HN HIS 36 -7.997 4.540 -1.953 282 HA HIS 36 HA HIS 36 -8.915 2.146 -3.124 283 1HB HIS 36 HB2 HIS 36 -7.115 4.315 -3.787 284 2HB HIS 36 HB1 HIS 36 -6.373 2.772 -4.209 285 HD1 HIS 36 HD1 HIS 36 -6.748 2.380 -6.617 286 HD2 HIS 36 HD2 HIS 36 -10.088 4.048 -4.793 287 HE1 HIS 36 HE1 HIS 36 -8.499 2.514 -8.417 288 HE2 HIS 36 HE2 HIS 36 -10.539 3.447 -7.268 289 H LEU 37 HN LEU 37 -6.241 2.969 -1.065 290 HA LEU 37 HA LEU 37 -4.848 0.486 -1.308 291 1HB LEU 37 HB2 LEU 37 -3.974 2.797 -0.563 292 2HB LEU 37 HB1 LEU 37 -4.657 2.401 0.998 293 HG LEU 37 HG LEU 37 -2.660 1.552 1.476 294 1HD1 LEU 37 HD11 LEU 37 -3.853 -0.531 1.242 295 2HD1 LEU 37 HD12 LEU 37 -2.188 -0.739 0.702 296 3HD1 LEU 37 HD13 LEU 37 -3.483 -0.585 -0.482 297 1HD2 LEU 37 HD21 LEU 37 -1.077 0.865 -0.487 298 2HD2 LEU 37 HD22 LEU 37 -1.369 2.566 -0.125 299 3HD2 LEU 37 HD23 LEU 37 -2.224 1.788 -1.459 300 H GLN 38 HN GLN 38 -6.505 1.974 1.461 301 HA GLN 38 HA GLN 38 -6.635 -0.155 3.158 302 1HB GLN 38 HB2 GLN 38 -7.626 2.347 3.224 303 2HB GLN 38 HB1 GLN 38 -9.120 1.452 2.982 304 1HG GLN 38 HG2 GLN 38 -8.479 0.044 4.957 305 2HG GLN 38 HG1 GLN 38 -7.163 1.181 5.245 306 1HE2 GLN 38 HE21 GLN 38 -8.183 3.581 4.875 307 2HE2 GLN 38 HE22 GLN 38 -9.514 3.887 5.934 308 H ASN 39 HN ASN 39 -8.601 0.378 0.289 309 HA ASN 39 HA ASN 39 -10.484 -1.701 0.915 310 1HB ASN 39 HB2 ASN 39 -10.111 0.266 -1.190 311 2HB ASN 39 HB1 ASN 39 -10.536 -1.306 -1.857 312 1HD2 ASN 39 HD21 ASN 39 -11.572 1.354 0.100 313 2HD2 ASN 39 HD22 ASN 39 -13.237 0.901 0.200 314 H VAL 40 HN VAL 40 -7.403 -1.496 -0.667 315 HA VAL 40 HA VAL 40 -7.550 -4.014 -2.005 316 HB VAL 40 HB VAL 40 -5.219 -2.228 -1.301 317 1HG1 VAL 40 HG11 VAL 40 -4.097 -3.716 -3.134 318 2HG1 VAL 40 HG12 VAL 40 -5.275 -4.914 -2.598 319 3HG1 VAL 40 HG13 VAL 40 -4.116 -4.245 -1.451 320 1HG2 VAL 40 HG21 VAL 40 -5.399 -1.344 -3.394 321 2HG2 VAL 40 HG22 VAL 40 -7.094 -1.744 -3.106 322 3HG2 VAL 40 HG23 VAL 40 -6.088 -2.818 -4.075 323 H ILE 41 HN ILE 41 -6.051 -2.883 1.017 324 HA ILE 41 HA ILE 41 -4.722 -5.110 1.846 325 HB ILE 41 HB ILE 41 -5.026 -2.853 3.047 326 1HG1 ILE 41 HG12 ILE 41 -4.727 -4.154 5.338 327 2HG1 ILE 41 HG11 ILE 41 -4.649 -5.550 4.267 328 1HG2 ILE 41 HG21 ILE 41 -6.741 -2.494 4.493 329 2HG2 ILE 41 HG22 ILE 41 -6.983 -4.211 4.809 330 3HG2 ILE 41 HG23 ILE 41 -7.584 -3.497 3.315 331 1HD1 ILE 41 HD11 ILE 41 -2.462 -4.432 4.928 332 2HD1 ILE 41 HD12 ILE 41 -2.933 -3.135 3.829 333 3HD1 ILE 41 HD13 ILE 41 -2.715 -4.775 3.217 334 H GLU 42 HN GLU 42 -8.196 -4.608 1.860 335 HA GLU 42 HA GLU 42 -8.767 -6.987 3.361 336 1HB GLU 42 HB2 GLU 42 -10.713 -5.548 1.568 337 2HB GLU 42 HB1 GLU 42 -11.057 -6.486 3.016 338 1HG GLU 42 HG2 GLU 42 -9.365 -4.442 3.860 339 2HG GLU 42 HG1 GLU 42 -10.483 -3.681 2.730 340 H ASP 43 HN ASP 43 -8.386 -6.168 0.010 341 HA ASP 43 HA ASP 43 -9.429 -8.712 -0.878 342 1HB ASP 43 HB2 ASP 43 -8.473 -6.228 -2.161 343 2HB ASP 43 HB1 ASP 43 -8.137 -7.707 -3.056 344 H ILE 44 HN ILE 44 -6.396 -7.319 0.027 345 HA ILE 44 HA ILE 44 -4.853 -9.452 -1.174 346 HB ILE 44 HB ILE 44 -3.856 -7.312 0.699 347 1HG1 ILE 44 HG12 ILE 44 -4.903 -6.237 -1.211 348 2HG1 ILE 44 HG11 ILE 44 -3.156 -6.110 -1.359 349 1HG2 ILE 44 HG21 ILE 44 -2.461 -9.096 -1.290 350 2HG2 ILE 44 HG22 ILE 44 -2.331 -9.164 0.469 351 3HG2 ILE 44 HG23 ILE 44 -1.696 -7.772 -0.411 352 1HD1 ILE 44 HD11 ILE 44 -3.484 -8.314 -2.775 353 2HD1 ILE 44 HD12 ILE 44 -3.681 -6.710 -3.482 354 3HD1 ILE 44 HD13 ILE 44 -5.098 -7.638 -2.990 355 H HIS 45 HN HIS 45 -5.620 -8.312 2.104 356 HA HIS 45 HA HIS 45 -4.221 -10.425 3.384 357 1HB HIS 45 HB2 HIS 45 -4.758 -9.393 5.344 358 2HB HIS 45 HB1 HIS 45 -5.084 -8.054 4.252 359 HD1 HIS 45 HD1 HIS 45 -6.460 -9.026 7.134 360 HD2 HIS 45 HD2 HIS 45 -8.091 -8.857 3.319 361 HE1 HIS 45 HE1 HIS 45 -8.947 -8.873 7.477 362 HE2 HIS 45 HE2 HIS 45 -9.907 -8.669 5.156 363 H ASP 46 HN ASP 46 -7.464 -10.149 2.113 364 HA ASP 46 HA ASP 46 -8.373 -12.491 3.577 365 1HB ASP 46 HB2 ASP 46 -9.695 -10.740 1.504 366 2HB ASP 46 HB1 ASP 46 -10.449 -12.193 2.147 367 H PHE 47 HN PHE 47 -7.472 -11.570 0.305 368 HA PHE 47 HA PHE 47 -8.053 -14.137 -0.827 369 1HB PHE 47 HB2 PHE 47 -6.502 -11.758 -1.814 370 2HB PHE 47 HB1 PHE 47 -6.561 -13.257 -2.730 371 HD1 PHE 47 HD1 PHE 47 -7.935 -13.025 -4.546 372 HD2 PHE 47 HD2 PHE 47 -9.135 -11.329 -0.831 373 HE1 PHE 47 HE1 PHE 47 -10.072 -12.341 -5.553 374 HE2 PHE 47 HE2 PHE 47 -11.275 -10.644 -1.832 375 HZ PHE 47 HZ PHE 47 -11.746 -11.149 -4.195 376 H MET 48 HN MET 48 -5.103 -12.595 0.388 377 HA MET 48 HA MET 48 -3.220 -14.455 -0.431 378 1HB MET 48 HB2 MET 48 -1.814 -13.658 1.353 379 2HB MET 48 HB1 MET 48 -2.710 -12.298 0.695 380 1HG MET 48 HG2 MET 48 -4.175 -12.253 2.564 381 2HG MET 48 HG1 MET 48 -3.554 -13.789 3.164 382 1HE MET 48 HE1 MET 48 -2.664 -10.272 2.101 383 2HE MET 48 HE2 MET 48 -1.014 -10.836 1.840 384 3HE MET 48 HE3 MET 48 -1.376 -9.757 3.188 385 H GLN 49 HN GLN 49 -5.639 -14.721 2.041 386 HA GLN 49 HA GLN 49 -4.437 -16.992 3.333 387 1HB GLN 49 HB2 GLN 49 -6.275 -15.161 4.128 388 2HB GLN 49 HB1 GLN 49 -7.326 -16.507 3.708 389 1HG GLN 49 HG2 GLN 49 -6.386 -17.902 5.320 390 2HG GLN 49 HG1 GLN 49 -4.952 -16.892 5.490 391 1HE2 GLN 49 HE21 GLN 49 -8.150 -17.491 6.535 392 2HE2 GLN 49 HE22 GLN 49 -8.245 -16.233 7.715 393 H GLY 50 HN GLY 50 -5.859 -16.675 0.383 394 1HA GLY 50 HA2 GLY 50 -5.965 -18.809 -0.870 395 2HA GLY 50 HA1 GLY 50 -6.905 -19.436 0.475 396 H GLY 51 HN GLY 51 -7.545 -16.177 -0.432 397 1HA GLY 51 HA2 GLY 51 -10.153 -17.024 -1.458 398 2HA GLY 51 HA1 GLY 51 -9.734 -15.410 -0.905 399 H GLY 52 HN GLY 52 -7.668 -17.179 -3.089 400 1HA GLY 52 HA2 GLY 52 -7.631 -17.053 -5.462 401 2HA GLY 52 HA1 GLY 52 -8.709 -15.668 -5.378 402 H SER 53 HN SER 53 -5.730 -16.169 -3.547 403 HA SER 53 HA SER 53 -4.767 -13.577 -4.043 404 1HB SER 53 HB2 SER 53 -2.875 -14.188 -2.803 405 2HB SER 53 HB1 SER 53 -4.126 -15.258 -2.172 406 HG SER 53 HG SER 53 -2.973 -16.875 -2.826 407 H GLY 54 HN GLY 54 -4.492 -16.521 -5.855 408 1HA GLY 54 HA2 GLY 54 -2.241 -15.626 -7.429 409 2HA GLY 54 HA1 GLY 54 -3.194 -17.079 -7.698 410 H GLY 55 HN GLY 55 -3.415 -13.533 -7.952 411 1HA GLY 55 HA2 GLY 55 -3.886 -13.132 -10.532 412 2HA GLY 55 HA1 GLY 55 -5.432 -13.808 -10.045 413 H LYS 56 HN LYS 56 -4.978 -12.457 -7.335 414 HA LYS 56 HA LYS 56 -6.246 -9.953 -8.091 415 1HB LYS 56 HB2 LYS 56 -6.657 -9.707 -5.658 416 2HB LYS 56 HB1 LYS 56 -7.295 -11.207 -6.314 417 1HG LYS 56 HG2 LYS 56 -6.287 -12.177 -4.578 418 2HG LYS 56 HG1 LYS 56 -4.800 -11.963 -5.495 419 1HD LYS 56 HD2 LYS 56 -4.880 -9.574 -4.346 420 2HD LYS 56 HD1 LYS 56 -5.828 -10.458 -3.149 421 1HE LYS 56 HE2 LYS 56 -3.332 -11.750 -4.052 422 2HE LYS 56 HE1 LYS 56 -3.143 -10.282 -3.095 423 1HZ LYS 56 HZ1 LYS 56 -4.575 -12.759 -2.306 424 2HZ LYS 56 HZ2 LYS 56 -4.624 -11.323 -1.416 425 3HZ LYS 56 HZ3 LYS 56 -3.157 -12.135 -1.626 426 H LEU 57 HN LEU 57 -3.401 -11.002 -6.251 427 HA LEU 57 HA LEU 57 -2.527 -8.433 -5.566 428 1HB LEU 57 HB2 LEU 57 -1.768 -10.625 -4.598 429 2HB LEU 57 HB1 LEU 57 -0.753 -10.813 -6.014 430 HG LEU 57 HG LEU 57 0.258 -8.541 -5.355 431 1HD1 LEU 57 HD11 LEU 57 -0.070 -7.689 -3.257 432 2HD1 LEU 57 HD12 LEU 57 -0.578 -9.239 -2.585 433 3HD1 LEU 57 HD13 LEU 57 -1.682 -8.315 -3.604 434 1HD2 LEU 57 HD21 LEU 57 1.980 -9.736 -4.600 435 2HD2 LEU 57 HD22 LEU 57 0.947 -11.149 -4.807 436 3HD2 LEU 57 HD23 LEU 57 1.059 -10.362 -3.233 437 H GLN 58 HN GLN 58 -2.647 -9.810 -8.655 438 HA GLN 58 HA GLN 58 -0.284 -8.427 -9.598 439 1HB GLN 58 HB2 GLN 58 -0.654 -9.438 -11.708 440 2HB GLN 58 HB1 GLN 58 -1.053 -10.665 -10.516 441 1HG GLN 58 HG2 GLN 58 -3.449 -10.060 -10.796 442 2HG GLN 58 HG1 GLN 58 -2.973 -8.987 -12.110 443 1HE2 GLN 58 HE21 GLN 58 -3.061 -9.813 -14.067 444 2HE2 GLN 58 HE22 GLN 58 -2.995 -11.492 -14.470 445 H GLU 59 HN GLU 59 -3.791 -8.211 -10.145 446 HA GLU 59 HA GLU 59 -3.450 -5.642 -11.460 447 1HB GLU 59 HB2 GLU 59 -5.659 -7.595 -11.136 448 2HB GLU 59 HB1 GLU 59 -6.128 -5.906 -11.262 449 1HG GLU 59 HG2 GLU 59 -4.451 -7.419 -13.252 450 2HG GLU 59 HG1 GLU 59 -6.160 -7.019 -13.427 451 H MET 60 HN MET 60 -4.365 -6.955 -8.386 452 HA MET 60 HA MET 60 -5.548 -4.535 -7.398 453 1HB MET 60 HB2 MET 60 -6.080 -6.885 -6.597 454 2HB MET 60 HB1 MET 60 -4.539 -6.851 -5.753 455 1HG MET 60 HG2 MET 60 -5.841 -6.140 -4.061 456 2HG MET 60 HG1 MET 60 -5.556 -4.576 -4.824 457 1HE MET 60 HE1 MET 60 -8.255 -7.214 -6.558 458 2HE MET 60 HE2 MET 60 -9.303 -7.170 -5.140 459 3HE MET 60 HE3 MET 60 -7.629 -7.704 -4.983 460 H MET 61 HN MET 61 -2.341 -6.025 -7.329 461 HA MET 61 HA MET 61 -1.211 -4.516 -5.267 462 1HB MET 61 HB2 MET 61 0.967 -4.825 -6.410 463 2HB MET 61 HB1 MET 61 0.051 -6.314 -6.259 464 1HG MET 61 HG2 MET 61 -0.671 -6.086 -8.588 465 2HG MET 61 HG1 MET 61 0.284 -4.612 -8.731 466 1HE MET 61 HE1 MET 61 3.494 -5.436 -9.703 467 2HE MET 61 HE2 MET 61 2.002 -4.506 -9.839 468 3HE MET 61 HE3 MET 61 2.271 -5.899 -10.886 469 H LYS 62 HN LYS 62 -1.740 -3.684 -8.658 470 HA LYS 62 HA LYS 62 -0.313 -1.243 -8.621 471 1HB LYS 62 HB2 LYS 62 -1.443 -2.704 -10.578 472 2HB LYS 62 HB1 LYS 62 -2.680 -1.469 -10.391 473 1HG LYS 62 HG2 LYS 62 -1.366 0.175 -11.224 474 2HG LYS 62 HG1 LYS 62 0.118 -0.533 -10.581 475 1HD LYS 62 HD2 LYS 62 -0.885 -2.344 -12.498 476 2HD LYS 62 HD1 LYS 62 -0.991 -0.735 -13.216 477 1HE LYS 62 HE2 LYS 62 1.486 -1.852 -11.912 478 2HE LYS 62 HE1 LYS 62 1.166 -1.916 -13.645 479 1HZ LYS 62 HZ1 LYS 62 1.960 0.332 -11.987 480 2HZ LYS 62 HZ2 LYS 62 0.802 0.674 -13.171 481 3HZ LYS 62 HZ3 LYS 62 2.294 0.014 -13.615 482 H GLU 63 HN GLU 63 -3.269 -2.148 -7.202 483 HA GLU 63 HA GLU 63 -4.508 0.442 -7.275 484 1HB GLU 63 HB2 GLU 63 -5.790 -1.687 -7.155 485 2HB GLU 63 HB1 GLU 63 -5.173 -1.927 -5.529 486 1HG GLU 63 HG2 GLU 63 -6.295 0.072 -4.766 487 2HG GLU 63 HG1 GLU 63 -6.841 0.417 -6.407 488 H PHE 64 HN PHE 64 -2.277 -1.193 -5.157 489 HA PHE 64 HA PHE 64 -2.762 0.669 -2.984 490 1HB PHE 64 HB2 PHE 64 -1.267 -0.643 -1.684 491 2HB PHE 64 HB1 PHE 64 -2.198 -1.788 -2.639 492 HD1 PHE 64 HD1 PHE 64 1.026 0.105 -2.829 493 HD2 PHE 64 HD2 PHE 64 -1.093 -3.493 -3.643 494 HE1 PHE 64 HE1 PHE 64 3.101 -0.927 -3.648 495 HE2 PHE 64 HE2 PHE 64 0.979 -4.532 -4.464 496 HZ PHE 64 HZ PHE 64 3.077 -3.248 -4.469 497 H GLN 65 HN GLN 65 -0.408 0.092 -5.507 498 HA GLN 65 HA GLN 65 1.462 2.046 -4.577 499 1HB GLN 65 HB2 GLN 65 1.470 0.015 -6.494 500 2HB GLN 65 HB1 GLN 65 1.613 1.501 -7.425 501 1HG GLN 65 HG2 GLN 65 3.672 1.975 -6.622 502 2HG GLN 65 HG1 GLN 65 3.349 1.247 -5.049 503 1HE2 GLN 65 HE21 GLN 65 4.361 0.676 -8.323 504 2HE2 GLN 65 HE22 GLN 65 4.990 -0.913 -8.067 505 H GLN 66 HN GLN 66 -1.324 2.040 -6.691 506 HA GLN 66 HA GLN 66 -0.908 4.433 -8.068 507 1HB GLN 66 HB2 GLN 66 -2.750 2.680 -8.404 508 2HB GLN 66 HB1 GLN 66 -3.618 3.517 -7.124 509 1HG GLN 66 HG2 GLN 66 -3.523 5.587 -8.455 510 2HG GLN 66 HG1 GLN 66 -2.730 4.690 -9.750 511 1HE2 GLN 66 HE21 GLN 66 -4.110 2.378 -9.841 512 2HE2 GLN 66 HE22 GLN 66 -5.760 2.670 -10.260 513 H VAL 67 HN VAL 67 -2.076 3.810 -4.829 514 HA VAL 67 HA VAL 67 -3.139 6.323 -4.202 515 HB VAL 67 HB VAL 67 -1.731 4.305 -2.431 516 1HG1 VAL 67 HG11 VAL 67 -3.654 6.310 -1.351 517 2HG1 VAL 67 HG12 VAL 67 -1.981 6.795 -1.617 518 3HG1 VAL 67 HG13 VAL 67 -2.349 5.451 -0.538 519 1HG2 VAL 67 HG21 VAL 67 -4.397 4.260 -1.815 520 2HG2 VAL 67 HG22 VAL 67 -3.571 3.125 -2.883 521 3HG2 VAL 67 HG23 VAL 67 -4.413 4.519 -3.559 522 H LEU 68 HN LEU 68 0.156 5.062 -3.862 523 HA LEU 68 HA LEU 68 1.295 7.430 -2.795 524 1HB LEU 68 HB2 LEU 68 2.266 4.885 -3.935 525 2HB LEU 68 HB1 LEU 68 3.384 6.237 -4.002 526 HG LEU 68 HG LEU 68 2.624 6.457 -1.440 527 1HD1 LEU 68 HD11 LEU 68 2.887 3.689 -1.050 528 2HD1 LEU 68 HD12 LEU 68 1.614 3.901 -2.249 529 3HD1 LEU 68 HD13 LEU 68 1.495 4.707 -0.684 530 1HD2 LEU 68 HD21 LEU 68 4.856 5.342 -2.890 531 2HD2 LEU 68 HD22 LEU 68 4.632 4.508 -1.353 532 3HD2 LEU 68 HD23 LEU 68 4.841 6.258 -1.383 533 H ASP 69 HN ASP 69 0.149 6.648 -5.913 534 HA ASP 69 HA ASP 69 1.916 8.184 -7.506 535 1HB ASP 69 HB2 ASP 69 0.011 6.436 -8.138 536 2HB ASP 69 HB1 ASP 69 -0.956 7.902 -8.278 537 H GLU 70 HN GLU 70 -1.434 8.919 -6.467 538 HA GLU 70 HA GLU 70 -1.516 11.600 -7.191 539 1HB GLU 70 HB2 GLU 70 -3.318 10.021 -6.072 540 2HB GLU 70 HB1 GLU 70 -2.704 10.716 -4.574 541 1HG GLU 70 HG2 GLU 70 -4.723 11.833 -5.488 542 2HG GLU 70 HG1 GLU 70 -3.347 12.901 -5.222 543 H LEU 71 HN LEU 71 -0.059 10.000 -4.519 544 HA LEU 71 HA LEU 71 0.529 12.274 -2.928 545 1HB LEU 71 HB2 LEU 71 0.290 10.260 -1.812 546 2HB LEU 71 HB1 LEU 71 1.242 9.383 -2.985 547 HG LEU 71 HG LEU 71 3.102 11.086 -1.899 548 1HD1 LEU 71 HD11 LEU 71 2.405 10.194 0.620 549 2HD1 LEU 71 HD12 LEU 71 0.896 10.810 -0.048 550 3HD1 LEU 71 HD13 LEU 71 2.312 11.854 0.037 551 1HD2 LEU 71 HD21 LEU 71 3.646 8.971 -0.521 552 2HD2 LEU 71 HD22 LEU 71 3.676 8.871 -2.284 553 3HD2 LEU 71 HD23 LEU 71 2.290 8.259 -1.386 554 H ASN 72 HN ASN 72 2.833 10.012 -4.442 555 HA ASN 72 HA ASN 72 5.091 11.547 -4.215 556 1HB ASN 72 HB2 ASN 72 4.428 9.141 -5.454 557 2HB ASN 72 HB1 ASN 72 5.089 10.129 -6.751 558 1HD2 ASN 72 HD21 ASN 72 6.128 7.742 -5.338 559 2HD2 ASN 72 HD22 ASN 72 7.695 8.199 -4.773 560 H ASN 73 HN ASN 73 2.484 11.956 -6.467 561 HA ASN 73 HA ASN 73 3.998 13.724 -8.186 562 1HB ASN 73 HB2 ASN 73 1.759 12.142 -8.552 563 2HB ASN 73 HB1 ASN 73 1.097 13.774 -8.521 564 1HD2 ASN 73 HD21 ASN 73 2.718 11.442 -10.343 565 2HD2 ASN 73 HD22 ASN 73 3.077 12.414 -11.725 566 H HIS 74 HN HIS 74 2.930 14.183 -5.178 567 HA HIS 74 HA HIS 74 2.660 17.046 -5.575 568 1HB HIS 74 HB2 HIS 74 0.429 15.323 -4.541 569 2HB HIS 74 HB1 HIS 74 0.587 16.996 -4.019 570 HD1 HIS 74 HD1 HIS 74 0.583 18.798 -6.063 571 HD2 HIS 74 HD2 HIS 74 -0.898 15.005 -6.891 572 HE1 HIS 74 HE1 HIS 74 -0.768 19.049 -8.169 573 HE2 HIS 74 HE2 HIS 74 -1.571 16.722 -8.704 574 H LEU 75 HN LEU 75 4.637 15.333 -4.297 575 HA LEU 75 HA LEU 75 4.447 15.302 -1.502 576 1HB LEU 75 HB2 LEU 75 6.532 15.054 -3.481 577 2HB LEU 75 HB1 LEU 75 7.094 16.031 -2.140 578 HG LEU 75 HG LEU 75 7.735 13.886 -1.566 579 1HD1 LEU 75 HD11 LEU 75 5.074 13.909 -0.210 580 2HD1 LEU 75 HD12 LEU 75 6.288 15.136 0.150 581 3HD1 LEU 75 HD13 LEU 75 6.647 13.432 0.429 582 1HD2 LEU 75 HD21 LEU 75 6.275 12.867 -3.389 583 2HD2 LEU 75 HD22 LEU 75 5.030 12.743 -2.147 584 3HD2 LEU 75 HD23 LEU 75 6.566 11.900 -1.944 585 H GLN 76 HN GLN 76 3.286 17.210 -1.033 586 HA GLN 76 HA GLN 76 4.443 19.774 -1.603 587 1HB GLN 76 HB2 GLN 76 1.918 19.069 -1.399 588 2HB GLN 76 HB1 GLN 76 2.167 19.440 0.301 589 1HG GLN 76 HG2 GLN 76 3.190 21.658 -0.715 590 2HG GLN 76 HG1 GLN 76 2.119 21.240 -2.051 591 1HE2 GLN 76 HE21 GLN 76 2.340 22.328 1.211 592 2HE2 GLN 76 HE22 GLN 76 0.664 22.681 1.436 593 H GLY 77 HN GLY 77 4.166 17.645 1.179 594 1HA GLY 77 HA2 GLY 77 5.166 19.640 3.021 595 2HA GLY 77 HA1 GLY 77 4.798 17.964 3.395 596 H GLY 78 HN GLY 78 6.368 16.369 2.271 597 1HA GLY 78 HA2 GLY 78 9.001 17.221 1.678 598 2HA GLY 78 HA1 GLY 78 8.899 16.719 3.359 599 H LYS 79 HN LYS 79 9.603 15.705 0.321 600 HA LYS 79 HA LYS 79 8.518 13.257 -0.124 601 1HB LYS 79 HB2 LYS 79 10.869 12.615 -0.992 602 2HB LYS 79 HB1 LYS 79 10.025 13.960 -1.745 603 1HG LYS 79 HG2 LYS 79 11.639 15.382 -1.206 604 2HG LYS 79 HG1 LYS 79 11.631 14.855 0.479 605 1HD LYS 79 HD2 LYS 79 12.968 13.292 -1.719 606 2HD LYS 79 HD1 LYS 79 13.802 14.533 -0.781 607 1HE LYS 79 HE2 LYS 79 12.917 13.192 1.267 608 2HE LYS 79 HE1 LYS 79 12.738 11.882 0.102 609 1HZ LYS 79 HZ1 LYS 79 14.855 11.588 0.976 610 2HZ LYS 79 HZ2 LYS 79 15.210 13.241 0.974 611 3HZ LYS 79 HZ3 LYS 79 15.155 12.388 -0.485 612 H HIS 80 HN HIS 80 10.789 14.071 2.401 613 HA HIS 80 HA HIS 80 11.857 11.664 3.117 614 1HB HIS 80 HB2 HIS 80 12.056 13.995 4.249 615 2HB HIS 80 HB1 HIS 80 10.705 13.454 5.239 616 HD1 HIS 80 HD1 HIS 80 11.490 10.587 5.833 617 HD2 HIS 80 HD2 HIS 80 14.184 13.749 5.907 618 HE1 HIS 80 HE1 HIS 80 13.376 9.828 7.313 619 HE2 HIS 80 HE2 HIS 80 15.033 11.726 7.279 620 H THR 81 HN THR 81 8.548 12.693 3.471 621 HA THR 81 HA THR 81 7.724 10.609 5.233 622 HB THR 81 HB THR 81 6.375 12.630 3.501 623 HG1 THR 81 HG1 THR 81 6.309 11.917 6.231 624 1HG2 THR 81 HG21 THR 81 5.127 10.076 4.256 625 2HG2 THR 81 HG22 THR 81 4.694 11.240 2.994 626 3HG2 THR 81 HG23 THR 81 4.211 11.531 4.669 627 H VAL 82 HN VAL 82 6.662 11.113 1.896 628 HA VAL 82 HA VAL 82 5.842 8.545 1.351 629 HB VAL 82 HB VAL 82 7.209 10.327 -0.672 630 1HG1 VAL 82 HG11 VAL 82 5.491 9.217 -2.177 631 2HG1 VAL 82 HG12 VAL 82 5.226 8.074 -0.862 632 3HG1 VAL 82 HG13 VAL 82 6.817 8.200 -1.613 633 1HG2 VAL 82 HG21 VAL 82 4.457 10.447 0.512 634 2HG2 VAL 82 HG22 VAL 82 4.793 11.068 -1.102 635 3HG2 VAL 82 HG23 VAL 82 5.627 11.747 0.294 636 H HIS 83 HN HIS 83 9.134 9.891 1.055 637 HA HIS 83 HA HIS 83 10.381 7.818 -0.260 638 1HB HIS 83 HB2 HIS 83 11.214 10.027 1.337 639 2HB HIS 83 HB1 HIS 83 12.097 8.609 1.888 640 HD1 HIS 83 HD1 HIS 83 14.115 8.020 0.574 641 HD2 HIS 83 HD2 HIS 83 11.501 10.426 -1.581 642 HE1 HIS 83 HE1 HIS 83 15.304 8.543 -1.580 643 HE2 HIS 83 HE2 HIS 83 13.683 9.957 -2.891 644 H HIS 84 HN HIS 84 9.501 8.071 3.139 645 HA HIS 84 HA HIS 84 10.621 5.520 3.833 646 1HB HIS 84 HB2 HIS 84 9.298 7.724 5.220 647 2HB HIS 84 HB1 HIS 84 8.783 6.150 5.814 648 HD1 HIS 84 HD1 HIS 84 11.730 8.429 5.667 649 HD2 HIS 84 HD2 HIS 84 10.769 4.663 7.137 650 HE1 HIS 84 HE1 HIS 84 13.632 7.794 7.185 651 HE2 HIS 84 HE2 HIS 84 13.077 5.468 7.979 652 H ILE 85 HN ILE 85 7.567 6.691 2.658 653 HA ILE 85 HA ILE 85 6.191 4.237 3.320 654 HB ILE 85 HB ILE 85 4.253 5.315 2.999 655 1HG1 ILE 85 HG12 ILE 85 5.111 7.036 0.722 656 2HG1 ILE 85 HG11 ILE 85 4.764 5.334 0.450 657 1HG2 ILE 85 HG21 ILE 85 6.086 7.659 2.929 658 2HG2 ILE 85 HG22 ILE 85 5.348 6.907 4.338 659 3HG2 ILE 85 HG23 ILE 85 4.345 7.766 3.164 660 1HD1 ILE 85 HD11 ILE 85 2.722 6.765 1.985 661 2HD1 ILE 85 HD12 ILE 85 2.553 5.619 0.658 662 3HD1 ILE 85 HD13 ILE 85 2.925 7.307 0.321 663 H GLU 86 HN GLU 86 7.591 5.749 0.478 664 HA GLU 86 HA GLU 86 6.568 3.836 -1.382 665 1HB GLU 86 HB2 GLU 86 8.412 4.782 -2.867 666 2HB GLU 86 HB1 GLU 86 7.196 5.919 -2.308 667 1HG GLU 86 HG2 GLU 86 8.734 7.194 -1.393 668 2HG GLU 86 HG1 GLU 86 9.339 5.844 -0.437 669 H GLN 87 HN GLN 87 9.646 4.215 0.364 670 HA GLN 87 HA GLN 87 10.930 1.984 -0.801 671 1HB GLN 87 HB2 GLN 87 11.366 3.743 1.520 672 2HB GLN 87 HB1 GLN 87 11.980 2.110 1.735 673 1HG GLN 87 HG2 GLN 87 13.646 3.710 0.844 674 2HG GLN 87 HG1 GLN 87 13.378 2.304 -0.185 675 1HE2 GLN 87 HE21 GLN 87 12.525 2.568 -2.199 676 2HE2 GLN 87 HE22 GLN 87 12.244 4.111 -2.923 677 H ASN 88 HN ASN 88 8.583 2.396 1.700 678 HA ASN 88 HA ASN 88 8.767 -0.306 2.691 679 1HB ASN 88 HB2 ASN 88 7.952 0.815 4.473 680 2HB ASN 88 HB1 ASN 88 7.486 2.191 3.480 681 1HD2 ASN 88 HD21 ASN 88 5.434 2.280 2.604 682 2HD2 ASN 88 HD22 ASN 88 4.140 1.298 3.197 683 H ILE 89 HN ILE 89 6.235 1.617 1.060 684 HA ILE 89 HA ILE 89 4.527 -0.538 0.539 685 HB ILE 89 HB ILE 89 4.558 2.263 -0.086 686 1HG1 ILE 89 HG12 ILE 89 2.088 0.842 -0.621 687 2HG1 ILE 89 HG11 ILE 89 2.841 0.309 0.884 688 1HG2 ILE 89 HG21 ILE 89 3.719 0.479 -2.369 689 2HG2 ILE 89 HG22 ILE 89 5.000 1.692 -2.391 690 3HG2 ILE 89 HG23 ILE 89 3.316 2.190 -2.227 691 1HD1 ILE 89 HD11 ILE 89 1.901 2.065 1.864 692 2HD1 ILE 89 HD12 ILE 89 1.394 2.737 0.315 693 3HD1 ILE 89 HD13 ILE 89 3.001 3.097 0.947 694 H LYS 90 HN LYS 90 6.955 1.022 -1.538 695 HA LYS 90 HA LYS 90 6.485 -0.636 -3.743 696 1HB LYS 90 HB2 LYS 90 7.821 1.493 -3.785 697 2HB LYS 90 HB1 LYS 90 9.131 0.627 -2.993 698 1HG LYS 90 HG2 LYS 90 9.696 0.630 -5.257 699 2HG LYS 90 HG1 LYS 90 9.041 -0.982 -4.964 700 1HD LYS 90 HD2 LYS 90 7.043 -0.502 -6.069 701 2HD LYS 90 HD1 LYS 90 7.284 1.242 -5.943 702 1HE LYS 90 HE2 LYS 90 7.746 0.794 -8.178 703 2HE LYS 90 HE1 LYS 90 9.343 0.852 -7.433 704 1HZ LYS 90 HZ1 LYS 90 9.459 -1.055 -8.683 705 2HZ LYS 90 HZ2 LYS 90 7.843 -1.475 -8.422 706 3HZ LYS 90 HZ3 LYS 90 8.980 -1.686 -7.188 707 H GLU 91 HN GLU 91 8.234 -1.081 -0.796 708 HA GLU 91 HA GLU 91 9.466 -3.557 -1.713 709 1HB GLU 91 HB2 GLU 91 10.734 -1.991 -0.251 710 2HB GLU 91 HB1 GLU 91 9.552 -2.263 1.021 711 1HG GLU 91 HG2 GLU 91 10.439 -4.232 1.599 712 2HG GLU 91 HG1 GLU 91 10.729 -4.707 -0.073 713 H ILE 92 HN ILE 92 6.491 -2.636 -0.675 714 HA ILE 92 HA ILE 92 5.899 -4.780 1.125 715 HB ILE 92 HB ILE 92 4.582 -2.380 0.250 716 1HG1 ILE 92 HG12 ILE 92 3.416 -2.634 2.373 717 2HG1 ILE 92 HG11 ILE 92 3.939 -4.311 2.480 718 1HG2 ILE 92 HG21 ILE 92 2.828 -4.821 0.295 719 2HG2 ILE 92 HG22 ILE 92 3.196 -3.843 -1.125 720 3HG2 ILE 92 HG23 ILE 92 2.275 -3.149 0.210 721 1HD1 ILE 92 HD11 ILE 92 5.458 -3.298 3.844 722 2HD1 ILE 92 HD12 ILE 92 5.483 -1.810 2.896 723 3HD1 ILE 92 HD13 ILE 92 6.325 -3.245 2.308 724 H PHE 93 HN PHE 93 5.318 -3.967 -2.251 725 HA PHE 93 HA PHE 93 3.734 -6.126 -2.997 726 1HB PHE 93 HB2 PHE 93 4.054 -5.376 -5.132 727 2HB PHE 93 HB1 PHE 93 4.767 -3.993 -4.306 728 HD1 PHE 93 HD1 PHE 93 7.335 -4.671 -3.528 729 HD2 PHE 93 HD2 PHE 93 5.255 -5.984 -6.997 730 HE1 PHE 93 HE1 PHE 93 9.474 -5.127 -4.628 731 HE2 PHE 93 HE2 PHE 93 7.399 -6.434 -8.115 732 HZ PHE 93 HZ PHE 93 9.519 -6.003 -6.935 733 H HIS 94 HN HIS 94 7.125 -5.948 -2.252 734 HA HIS 94 HA HIS 94 8.021 -8.269 -3.569 735 1HB HIS 94 HB2 HIS 94 9.087 -6.361 -1.703 736 2HB HIS 94 HB1 HIS 94 9.495 -7.985 -1.161 737 HD1 HIS 94 HD1 HIS 94 10.931 -5.419 -3.031 738 HD2 HIS 94 HD2 HIS 94 10.496 -9.499 -3.689 739 HE1 HIS 94 HE1 HIS 94 12.687 -6.017 -4.728 740 HE2 HIS 94 HE2 HIS 94 12.456 -8.505 -5.052 741 H HIS 95 HN HIS 95 7.414 -7.870 -0.084 742 HA HIS 95 HA HIS 95 7.320 -10.622 0.470 743 1HB HIS 95 HB2 HIS 95 6.618 -8.128 1.888 744 2HB HIS 95 HB1 HIS 95 5.753 -9.562 2.428 745 HD1 HIS 95 HD1 HIS 95 9.327 -9.694 1.275 746 HD2 HIS 95 HD2 HIS 95 7.147 -9.810 4.810 747 HE1 HIS 95 HE1 HIS 95 10.970 -10.365 3.056 748 HE2 HIS 95 HE2 HIS 95 9.647 -10.344 5.200 749 H LEU 96 HN LEU 96 5.159 -8.655 -1.238 750 HA LEU 96 HA LEU 96 2.799 -10.224 -0.569 751 1HB LEU 96 HB2 LEU 96 3.304 -7.865 -2.369 752 2HB LEU 96 HB1 LEU 96 1.769 -8.718 -2.367 753 HG LEU 96 HG LEU 96 3.020 -7.316 -0.021 754 1HD1 LEU 96 HD11 LEU 96 2.217 -5.722 -1.626 755 2HD1 LEU 96 HD12 LEU 96 1.072 -5.783 -0.284 756 3HD1 LEU 96 HD13 LEU 96 0.697 -6.598 -1.801 757 1HD2 LEU 96 HD21 LEU 96 1.253 -9.421 0.067 758 2HD2 LEU 96 HD22 LEU 96 0.200 -8.011 0.158 759 3HD2 LEU 96 HD23 LEU 96 1.496 -8.220 1.336 760 H GLU 97 HN GLU 97 4.341 -9.289 -3.640 761 HA GLU 97 HA GLU 97 3.186 -11.382 -5.131 762 1HB GLU 97 HB2 GLU 97 5.494 -9.515 -5.576 763 2HB GLU 97 HB1 GLU 97 5.207 -10.837 -6.699 764 1HG GLU 97 HG2 GLU 97 3.086 -8.840 -5.977 765 2HG GLU 97 HG1 GLU 97 4.220 -8.593 -7.303 766 H GLU 98 HN GLU 98 5.738 -11.338 -2.870 767 HA GLU 98 HA GLU 98 7.051 -13.695 -3.970 768 1HB GLU 98 HB2 GLU 98 8.287 -11.810 -2.807 769 2HB GLU 98 HB1 GLU 98 7.587 -12.390 -1.302 770 1HG GLU 98 HG2 GLU 98 8.695 -14.517 -1.566 771 2HG GLU 98 HG1 GLU 98 9.321 -14.024 -3.140 772 H LEU 99 HN LEU 99 4.388 -13.039 -2.037 773 HA LEU 99 HA LEU 99 4.584 -15.338 -0.308 774 1HB LEU 99 HB2 LEU 99 3.426 -13.345 0.461 775 2HB LEU 99 HB1 LEU 99 2.315 -13.434 -0.892 776 HG LEU 99 HG LEU 99 1.576 -15.686 0.045 777 1HD1 LEU 99 HD11 LEU 99 2.016 -15.378 2.717 778 2HD1 LEU 99 HD12 LEU 99 3.564 -14.883 2.033 779 3HD1 LEU 99 HD13 LEU 99 2.905 -16.475 1.660 780 1HD2 LEU 99 HD21 LEU 99 0.503 -14.249 2.107 781 2HD2 LEU 99 HD22 LEU 99 -0.109 -14.267 0.453 782 3HD2 LEU 99 HD23 LEU 99 0.977 -12.979 0.979 783 H VAL 100 HN VAL 100 2.369 -14.363 -2.919 784 HA VAL 100 HA VAL 100 1.081 -16.846 -3.162 785 HB VAL 100 HB VAL 100 1.440 -14.762 -5.322 786 1HG1 VAL 100 HG11 VAL 100 -1.061 -16.271 -5.193 787 2HG1 VAL 100 HG12 VAL 100 0.352 -17.271 -5.531 788 3HG1 VAL 100 HG13 VAL 100 -0.029 -15.900 -6.575 789 1HG2 VAL 100 HG21 VAL 100 0.413 -13.457 -3.787 790 2HG2 VAL 100 HG22 VAL 100 -0.211 -14.830 -2.874 791 3HG2 VAL 100 HG23 VAL 100 -1.025 -14.308 -4.350 792 H HIS 101 HN HIS 101 4.050 -15.611 -4.538 793 HA HIS 101 HA HIS 101 4.342 -17.589 -6.557 794 1HB HIS 101 HB2 HIS 101 5.690 -15.266 -5.823 795 2HB HIS 101 HB1 HIS 101 6.862 -16.547 -5.538 796 HD1 HIS 101 HD1 HIS 101 4.359 -16.663 -8.347 797 HD2 HIS 101 HD2 HIS 101 8.417 -15.995 -7.759 798 HE1 HIS 101 HE1 HIS 101 5.376 -16.640 -10.645 799 HE2 HIS 101 HE2 HIS 101 7.816 -16.142 -10.270 800 H ARG 102 HN ARG 102 5.453 -17.325 -3.215 801 HA ARG 102 HA ARG 102 7.087 -19.621 -3.208 802 1HB ARG 102 HB2 ARG 102 6.461 -17.623 -1.401 803 2HB ARG 102 HB1 ARG 102 5.772 -19.059 -0.658 804 1HG ARG 102 HG2 ARG 102 8.426 -19.581 -1.660 805 2HG ARG 102 HG1 ARG 102 8.416 -18.210 -0.549 806 1HD ARG 102 HD2 ARG 102 8.562 -19.799 1.035 807 2HD ARG 102 HD1 ARG 102 6.825 -19.953 0.780 808 HE ARG 102 HE ARG 102 8.342 -21.611 -0.986 809 1HH1 ARG 102 HH11 ARG 102 7.049 -21.384 2.247 810 2HH1 ARG 102 HH12 ARG 102 6.985 -23.099 2.476 811 1HH2 ARG 102 HH21 ARG 102 8.257 -23.868 -0.687 812 2HH2 ARG 102 HH22 ARG 102 7.671 -24.509 0.812 Start of MODEL 8 1 1H MET 1 HT1 MET 1 1.934 -22.117 5.214 2 2H MET 1 HT2 MET 1 0.948 -23.420 5.739 3 3H MET 1 HT3 MET 1 1.394 -22.181 6.840 4 HA MET 1 HA MET 1 -0.442 -22.043 4.557 5 1HB MET 1 HB2 MET 1 -0.616 -21.632 7.540 6 2HB MET 1 HB1 MET 1 -1.874 -21.078 6.443 7 1HG MET 1 HG2 MET 1 -0.952 -23.925 6.760 8 2HG MET 1 HG1 MET 1 -2.418 -23.232 7.447 9 1HE MET 1 HE1 MET 1 -3.728 -25.599 5.692 10 2HE MET 1 HE2 MET 1 -1.979 -25.737 5.864 11 3HE MET 1 HE3 MET 1 -2.715 -25.802 4.262 12 H TYR 2 HN TYR 2 -0.025 -20.333 3.307 13 HA TYR 2 HA TYR 2 1.394 -18.032 4.234 14 1HB TYR 2 HB2 TYR 2 -0.111 -18.534 1.659 15 2HB TYR 2 HB1 TYR 2 0.889 -17.119 1.969 16 HD1 TYR 2 HD1 TYR 2 0.839 -20.350 0.592 17 HD2 TYR 2 HD2 TYR 2 3.364 -17.659 2.709 18 HE1 TYR 2 HE1 TYR 2 2.812 -21.582 -0.208 19 HE2 TYR 2 HE2 TYR 2 5.345 -18.882 1.914 20 HH TYR 2 HH TYR 2 5.148 -21.311 -0.533 21 H GLY 3 HN GLY 3 0.604 -16.323 5.257 22 1HA GLY 3 HA2 GLY 3 -1.785 -15.003 4.598 23 2HA GLY 3 HA1 GLY 3 -2.101 -16.056 5.969 24 H LYS 4 HN LYS 4 0.546 -15.759 7.128 25 HA LYS 4 HA LYS 4 0.076 -13.519 8.752 26 1HB LYS 4 HB2 LYS 4 1.515 -15.537 9.309 27 2HB LYS 4 HB1 LYS 4 2.772 -14.806 8.318 28 1HG LYS 4 HG2 LYS 4 3.257 -14.250 10.562 29 2HG LYS 4 HG1 LYS 4 2.629 -12.787 9.800 30 1HD LYS 4 HD2 LYS 4 0.348 -13.542 10.727 31 2HD LYS 4 HD1 LYS 4 1.288 -14.612 11.767 32 1HE LYS 4 HE2 LYS 4 2.287 -11.869 11.712 33 2HE LYS 4 HE1 LYS 4 0.636 -12.000 12.316 34 1HZ LYS 4 HZ1 LYS 4 1.758 -13.972 13.659 35 2HZ LYS 4 HZ2 LYS 4 1.739 -12.382 14.234 36 3HZ LYS 4 HZ3 LYS 4 3.122 -12.989 13.471 37 H LEU 5 HN LEU 5 1.418 -13.720 5.624 38 HA LEU 5 HA LEU 5 3.230 -11.642 5.548 39 1HB LEU 5 HB2 LEU 5 2.109 -13.194 3.667 40 2HB LEU 5 HB1 LEU 5 1.192 -11.727 3.388 41 HG LEU 5 HG LEU 5 2.985 -11.604 1.882 42 1HD1 LEU 5 HD11 LEU 5 4.285 -9.705 2.624 43 2HD1 LEU 5 HD12 LEU 5 3.872 -10.044 4.306 44 3HD1 LEU 5 HD13 LEU 5 2.617 -9.538 3.176 45 1HD2 LEU 5 HD21 LEU 5 5.387 -11.743 3.137 46 2HD2 LEU 5 HD22 LEU 5 4.620 -13.091 2.295 47 3HD2 LEU 5 HD23 LEU 5 4.460 -12.938 4.044 48 H ASN 6 HN ASN 6 -0.187 -11.613 6.094 49 HA ASN 6 HA ASN 6 -0.797 -8.981 5.459 50 1HB ASN 6 HB2 ASN 6 -2.671 -9.221 7.064 51 2HB ASN 6 HB1 ASN 6 -2.559 -10.549 5.915 52 1HD2 ASN 6 HD21 ASN 6 -3.958 -10.776 8.277 53 2HD2 ASN 6 HD22 ASN 6 -3.150 -11.899 9.312 54 H ASP 7 HN ASP 7 0.513 -10.389 8.417 55 HA ASP 7 HA ASP 7 0.372 -8.225 10.126 56 1HB ASP 7 HB2 ASP 7 1.247 -10.535 10.663 57 2HB ASP 7 HB1 ASP 7 2.768 -10.057 9.914 58 H LEU 8 HN LEU 8 2.471 -8.786 7.411 59 HA LEU 8 HA LEU 8 4.170 -6.514 7.974 60 1HB LEU 8 HB2 LEU 8 5.125 -8.471 6.887 61 2HB LEU 8 HB1 LEU 8 3.967 -8.342 5.578 62 HG LEU 8 HG LEU 8 6.319 -7.545 5.089 63 1HD1 LEU 8 HD11 LEU 8 3.897 -6.695 4.146 64 2HD1 LEU 8 HD12 LEU 8 5.468 -6.311 3.442 65 3HD1 LEU 8 HD13 LEU 8 4.703 -5.180 4.558 66 1HD2 LEU 8 HD21 LEU 8 5.693 -4.941 6.318 67 2HD2 LEU 8 HD22 LEU 8 7.241 -5.761 6.110 68 3HD2 LEU 8 HD23 LEU 8 6.164 -6.230 7.426 69 H LEU 9 HN LEU 9 1.358 -7.302 6.058 70 HA LEU 9 HA LEU 9 1.403 -5.147 4.269 71 1HB LEU 9 HB2 LEU 9 -0.644 -7.021 5.301 72 2HB LEU 9 HB1 LEU 9 -1.245 -5.532 4.600 73 HG LEU 9 HG LEU 9 0.629 -7.400 3.158 74 1HD1 LEU 9 HD11 LEU 9 -1.706 -8.303 3.822 75 2HD1 LEU 9 HD12 LEU 9 -1.159 -8.467 2.153 76 3HD1 LEU 9 HD13 LEU 9 -2.297 -7.192 2.585 77 1HD2 LEU 9 HD21 LEU 9 -0.701 -6.057 1.258 78 2HD2 LEU 9 HD22 LEU 9 0.822 -5.497 1.951 79 3HD2 LEU 9 HD23 LEU 9 -0.708 -4.841 2.535 80 H GLU 10 HN GLU 10 0.044 -5.465 7.524 81 HA GLU 10 HA GLU 10 -1.389 -3.166 7.815 82 1HB GLU 10 HB2 GLU 10 -0.953 -4.986 9.536 83 2HB GLU 10 HB1 GLU 10 0.529 -4.128 9.932 84 1HG GLU 10 HG2 GLU 10 -1.162 -2.097 10.157 85 2HG GLU 10 HG1 GLU 10 -2.288 -3.413 10.485 86 H ASP 11 HN ASP 11 2.126 -3.482 7.947 87 HA ASP 11 HA ASP 11 2.799 -0.945 8.849 88 1HB ASP 11 HB2 ASP 11 4.156 -2.981 7.144 89 2HB ASP 11 HB1 ASP 11 4.853 -1.365 7.213 90 H LEU 12 HN LEU 12 2.095 -2.029 5.561 91 HA LEU 12 HA LEU 12 2.719 0.288 4.176 92 1HB LEU 12 HB2 LEU 12 2.216 -1.156 2.550 93 2HB LEU 12 HB1 LEU 12 1.346 -2.188 3.662 94 HG LEU 12 HG LEU 12 -0.195 0.168 2.811 95 1HD1 LEU 12 HD11 LEU 12 -0.514 -1.508 0.626 96 2HD1 LEU 12 HD12 LEU 12 1.230 -1.343 0.818 97 3HD1 LEU 12 HD13 LEU 12 0.221 0.094 0.646 98 1HD2 LEU 12 HD21 LEU 12 -1.220 -2.491 2.219 99 2HD2 LEU 12 HD22 LEU 12 -1.906 -1.207 3.213 100 3HD2 LEU 12 HD23 LEU 12 -0.709 -2.305 3.895 101 H GLN 13 HN GLN 13 -0.529 -0.775 5.138 102 HA GLN 13 HA GLN 13 -1.881 1.547 4.521 103 1HB GLN 13 HB2 GLN 13 -2.736 -0.776 5.365 104 2HB GLN 13 HB1 GLN 13 -2.655 -0.030 6.955 105 1HG GLN 13 HG2 GLN 13 -3.985 1.754 5.182 106 2HG GLN 13 HG1 GLN 13 -4.707 0.154 5.026 107 1HE2 GLN 13 HE21 GLN 13 -5.049 -0.942 7.230 108 2HE2 GLN 13 HE22 GLN 13 -5.775 0.045 8.447 109 H GLU 14 HN GLU 14 -0.092 0.756 7.456 110 HA GLU 14 HA GLU 14 -0.896 3.133 8.851 111 1HB GLU 14 HB2 GLU 14 -0.083 0.937 9.896 112 2HB GLU 14 HB1 GLU 14 1.538 1.459 9.459 113 1HG GLU 14 HG2 GLU 14 1.459 2.246 11.581 114 2HG GLU 14 HG1 GLU 14 0.796 3.646 10.737 115 H VAL 15 HN VAL 15 1.585 2.248 6.611 116 HA VAL 15 HA VAL 15 3.336 4.406 7.176 117 HB VAL 15 HB VAL 15 3.709 2.186 5.785 118 1HG1 VAL 15 HG11 VAL 15 2.372 3.872 3.847 119 2HG1 VAL 15 HG12 VAL 15 2.822 2.175 3.749 120 3HG1 VAL 15 HG13 VAL 15 3.988 3.417 3.320 121 1HG2 VAL 15 HG21 VAL 15 5.088 4.757 5.059 122 2HG2 VAL 15 HG22 VAL 15 5.744 3.116 4.965 123 3HG2 VAL 15 HG23 VAL 15 5.376 3.830 6.535 124 H LEU 16 HN LEU 16 0.433 4.036 5.296 125 HA LEU 16 HA LEU 16 0.731 6.359 3.711 126 1HB LEU 16 HB2 LEU 16 -1.693 4.793 4.557 127 2HB LEU 16 HB1 LEU 16 -1.805 6.211 3.534 128 HG LEU 16 HG LEU 16 -1.833 4.544 1.960 129 1HD1 LEU 16 HD11 LEU 16 -0.021 4.916 0.695 130 2HD1 LEU 16 HD12 LEU 16 1.097 4.399 1.956 131 3HD1 LEU 16 HD13 LEU 16 0.433 6.031 1.982 132 1HD2 LEU 16 HD21 LEU 16 0.233 2.731 2.655 133 2HD2 LEU 16 HD22 LEU 16 -1.504 2.448 2.566 134 3HD2 LEU 16 HD23 LEU 16 -0.776 3.001 4.073 135 H LYS 17 HN LYS 17 -0.523 5.761 6.937 136 HA LYS 17 HA LYS 17 -1.971 7.962 7.558 137 1HB LYS 17 HB2 LYS 17 -1.378 6.198 9.177 138 2HB LYS 17 HB1 LYS 17 0.258 6.837 9.267 139 1HG LYS 17 HG2 LYS 17 -1.036 9.053 9.911 140 2HG LYS 17 HG1 LYS 17 -2.261 7.891 10.422 141 1HD LYS 17 HD2 LYS 17 -0.980 8.182 12.340 142 2HD LYS 17 HD1 LYS 17 -0.309 6.710 11.634 143 1HE LYS 17 HE2 LYS 17 1.694 7.671 11.659 144 2HE LYS 17 HE1 LYS 17 1.106 8.843 10.479 145 1HZ LYS 17 HZ1 LYS 17 1.851 10.157 12.206 146 2HZ LYS 17 HZ2 LYS 17 1.294 9.105 13.408 147 3HZ LYS 17 HZ3 LYS 17 0.195 10.052 12.539 148 H ASN 18 HN ASN 18 1.466 7.826 6.994 149 HA ASN 18 HA ASN 18 1.921 10.587 7.751 150 1HB ASN 18 HB2 ASN 18 3.547 8.276 7.039 151 2HB ASN 18 HB1 ASN 18 4.104 9.736 6.228 152 1HD2 ASN 18 HD21 ASN 18 4.541 7.907 8.866 153 2HD2 ASN 18 HD22 ASN 18 5.126 9.095 9.975 154 H LEU 19 HN LEU 19 1.627 8.694 4.798 155 HA LEU 19 HA LEU 19 2.272 10.568 2.885 156 1HB LEU 19 HB2 LEU 19 1.841 8.750 1.685 157 2HB LEU 19 HB1 LEU 19 0.948 8.038 3.005 158 HG LEU 19 HG LEU 19 -0.282 9.936 1.015 159 1HD1 LEU 19 HD11 LEU 19 -0.925 8.200 -0.325 160 2HD1 LEU 19 HD12 LEU 19 -0.851 7.024 0.979 161 3HD1 LEU 19 HD13 LEU 19 0.635 7.584 0.217 162 1HD2 LEU 19 HD21 LEU 19 -1.251 8.419 3.344 163 2HD2 LEU 19 HD22 LEU 19 -2.289 8.465 1.928 164 3HD2 LEU 19 HD23 LEU 19 -1.776 9.964 2.689 165 H HIS 20 HN HIS 20 -0.609 10.339 4.832 166 HA HIS 20 HA HIS 20 -2.319 11.971 3.313 167 1HB HIS 20 HB2 HIS 20 -2.181 11.463 6.288 168 2HB HIS 20 HB1 HIS 20 -3.461 12.398 5.530 169 HD1 HIS 20 HD1 HIS 20 -5.336 11.120 4.406 170 HD2 HIS 20 HD2 HIS 20 -2.254 8.673 5.731 171 HE1 HIS 20 HE1 HIS 20 -6.218 8.772 4.231 172 HE2 HIS 20 HE2 HIS 20 -4.318 7.304 4.989 173 H LYS 21 HN LYS 21 0.132 12.719 5.702 174 HA LYS 21 HA LYS 21 -0.463 15.570 5.542 175 1HB LYS 21 HB2 LYS 21 1.798 14.449 7.144 176 2HB LYS 21 HB1 LYS 21 0.767 15.832 7.487 177 1HG LYS 21 HG2 LYS 21 -0.220 12.997 7.551 178 2HG LYS 21 HG1 LYS 21 0.455 13.820 8.957 179 1HD LYS 21 HD2 LYS 21 -1.843 14.163 9.185 180 2HD LYS 21 HD1 LYS 21 -1.273 15.663 8.452 181 1HE LYS 21 HE2 LYS 21 -2.160 15.118 6.358 182 2HE LYS 21 HE1 LYS 21 -2.266 13.406 6.754 183 1HZ LYS 21 HZ1 LYS 21 -4.221 13.673 7.819 184 2HZ LYS 21 HZ2 LYS 21 -4.356 15.007 6.787 185 3HZ LYS 21 HZ3 LYS 21 -3.849 15.224 8.386 186 H ASN 22 HN ASN 22 0.970 13.824 3.387 187 HA ASN 22 HA ASN 22 3.011 15.846 2.890 188 1HB ASN 22 HB2 ASN 22 3.613 12.891 2.942 189 2HB ASN 22 HB1 ASN 22 4.717 14.138 2.365 190 1HD2 ASN 22 HD21 ASN 22 2.889 13.071 5.184 191 2HD2 ASN 22 HD22 ASN 22 3.983 13.709 6.359 192 H TRP 23 HN TRP 23 0.757 13.515 1.614 193 HA TRP 23 HA TRP 23 1.791 13.416 -0.999 194 1HB TRP 23 HB2 TRP 23 -0.018 12.207 -1.568 195 2HB TRP 23 HB1 TRP 23 -0.231 12.101 0.174 196 HD1 TRP 23 HD1 TRP 23 -2.413 12.983 1.084 197 HE1 TRP 23 HE1 TRP 23 -4.467 14.198 0.136 198 HE3 TRP 23 HE3 TRP 23 -0.587 13.959 -3.535 199 HZ2 TRP 23 HZ2 TRP 23 -5.213 15.386 -2.347 200 HZ3 TRP 23 HZ3 TRP 23 -2.022 15.127 -5.165 201 HH2 TRP 23 HH2 TRP 23 -4.287 15.827 -4.578 202 H HIS 24 HN HIS 24 -0.051 15.829 0.665 203 HA HIS 24 HA HIS 24 0.496 17.826 -1.216 204 1HB HIS 24 HB2 HIS 24 -1.093 16.619 -2.646 205 2HB HIS 24 HB1 HIS 24 -2.316 16.715 -1.384 206 HD1 HIS 24 HD1 HIS 24 -0.220 19.141 -3.439 207 HD2 HIS 24 HD2 HIS 24 -3.981 18.816 -1.704 208 HE1 HIS 24 HE1 HIS 24 -1.458 21.221 -4.123 209 HE2 HIS 24 HE2 HIS 24 -3.758 20.965 -3.125 210 H GLY 25 HN GLY 25 -2.143 16.784 0.934 211 1HA GLY 25 HA2 GLY 25 -1.867 18.090 3.165 212 2HA GLY 25 HA1 GLY 25 -2.163 19.470 2.120 213 H GLY 26 HN GLY 26 -3.587 17.686 4.334 214 1HA GLY 26 HA2 GLY 26 -5.848 17.842 4.938 215 2HA GLY 26 HA1 GLY 26 -6.240 18.261 3.277 216 H LYS 27 HN LYS 27 -5.782 15.702 5.562 217 HA LYS 27 HA LYS 27 -5.655 13.449 4.008 218 1HB LYS 27 HB2 LYS 27 -5.568 13.270 6.392 219 2HB LYS 27 HB1 LYS 27 -7.189 13.931 6.564 220 1HG LYS 27 HG2 LYS 27 -7.365 11.634 4.914 221 2HG LYS 27 HG1 LYS 27 -6.382 11.219 6.318 222 1HD LYS 27 HD2 LYS 27 -8.096 11.638 7.808 223 2HD LYS 27 HD1 LYS 27 -8.937 12.719 6.696 224 1HE LYS 27 HE2 LYS 27 -10.298 10.924 6.462 225 2HE LYS 27 HE1 LYS 27 -9.076 10.452 5.281 226 1HZ LYS 27 HZ1 LYS 27 -9.289 8.568 6.555 227 2HZ LYS 27 HZ2 LYS 27 -9.522 9.417 7.999 228 3HZ LYS 27 HZ3 LYS 27 -7.979 9.324 7.312 229 H ASP 28 HN ASP 28 -8.313 15.652 4.369 230 HA ASP 28 HA ASP 28 -10.468 14.097 3.580 231 1HB ASP 28 HB2 ASP 28 -11.491 16.190 2.790 232 2HB ASP 28 HB1 ASP 28 -10.699 16.416 4.347 233 H ASN 29 HN ASN 29 -7.843 15.452 1.689 234 HA ASN 29 HA ASN 29 -9.097 14.722 -0.829 235 1HB ASN 29 HB2 ASN 29 -7.380 16.704 -0.222 236 2HB ASN 29 HB1 ASN 29 -6.228 15.478 -0.739 237 1HD2 ASN 29 HD21 ASN 29 -8.236 17.935 -1.731 238 2HD2 ASN 29 HD22 ASN 29 -8.272 17.588 -3.423 239 H LEU 30 HN LEU 30 -6.410 13.678 1.204 240 HA LEU 30 HA LEU 30 -5.412 11.644 -0.468 241 1HB LEU 30 HB2 LEU 30 -4.297 12.643 1.553 242 2HB LEU 30 HB1 LEU 30 -5.406 11.736 2.551 243 HG LEU 30 HG LEU 30 -3.281 10.632 2.516 244 1HD1 LEU 30 HD11 LEU 30 -5.608 9.392 2.144 245 2HD1 LEU 30 HD12 LEU 30 -4.078 8.549 2.347 246 3HD1 LEU 30 HD13 LEU 30 -4.731 8.808 0.731 247 1HD2 LEU 30 HD21 LEU 30 -3.417 11.121 -0.381 248 2HD2 LEU 30 HD22 LEU 30 -2.765 9.550 0.099 249 3HD2 LEU 30 HD23 LEU 30 -2.023 11.033 0.695 250 H HIS 31 HN HIS 31 -8.000 11.744 1.902 251 HA HIS 31 HA HIS 31 -8.539 9.114 2.375 252 1HB HIS 31 HB2 HIS 31 -9.772 11.201 3.214 253 2HB HIS 31 HB1 HIS 31 -10.749 11.064 1.755 254 HD1 HIS 31 HD1 HIS 31 -9.699 8.693 4.553 255 HD2 HIS 31 HD2 HIS 31 -13.007 9.678 2.240 256 HE1 HIS 31 HE1 HIS 31 -11.559 7.216 5.379 257 HE2 HIS 31 HE2 HIS 31 -13.523 7.760 3.897 258 H ASP 32 HN ASP 32 -9.247 10.926 -0.554 259 HA ASP 32 HA ASP 32 -10.824 8.841 -1.724 260 1HB ASP 32 HB2 ASP 32 -10.496 11.517 -2.239 261 2HB ASP 32 HB1 ASP 32 -9.620 10.774 -3.573 262 H VAL 33 HN VAL 33 -7.447 9.561 -1.576 263 HA VAL 33 HA VAL 33 -6.851 7.791 -3.808 264 HB VAL 33 HB VAL 33 -5.661 10.003 -3.312 265 1HG1 VAL 33 HG11 VAL 33 -3.583 9.731 -1.962 266 2HG1 VAL 33 HG12 VAL 33 -4.249 8.224 -1.343 267 3HG1 VAL 33 HG13 VAL 33 -5.072 9.750 -1.023 268 1HG2 VAL 33 HG21 VAL 33 -4.498 9.182 -4.998 269 2HG2 VAL 33 HG22 VAL 33 -4.722 7.527 -4.429 270 3HG2 VAL 33 HG23 VAL 33 -3.385 8.502 -3.813 271 H ASP 34 HN ASP 34 -6.193 7.952 -0.298 272 HA ASP 34 HA ASP 34 -4.929 5.391 -0.277 273 1HB ASP 34 HB2 ASP 34 -4.264 6.784 1.496 274 2HB ASP 34 HB1 ASP 34 -5.928 7.210 1.901 275 H ASN 35 HN ASN 35 -8.219 6.485 -0.177 276 HA ASN 35 HA ASN 35 -9.466 4.347 1.114 277 1HB ASN 35 HB2 ASN 35 -10.841 6.189 0.509 278 2HB ASN 35 HB1 ASN 35 -10.352 6.103 -1.179 279 1HD2 ASN 35 HD21 ASN 35 -12.605 6.110 -1.674 280 2HD2 ASN 35 HD22 ASN 35 -13.527 4.653 -1.563 281 H HIS 36 HN HIS 36 -7.999 4.642 -2.008 282 HA HIS 36 HA HIS 36 -9.008 2.255 -3.171 283 1HB HIS 36 HB2 HIS 36 -7.347 4.427 -3.948 284 2HB HIS 36 HB1 HIS 36 -6.396 2.959 -4.173 285 HD1 HIS 36 HD1 HIS 36 -9.107 1.288 -4.931 286 HD2 HIS 36 HD2 HIS 36 -7.609 4.718 -6.734 287 HE1 HIS 36 HE1 HIS 36 -10.069 1.301 -7.254 288 HE2 HIS 36 HE2 HIS 36 -9.073 3.336 -8.357 289 H LEU 37 HN LEU 37 -6.339 3.069 -1.099 290 HA LEU 37 HA LEU 37 -4.968 0.573 -1.345 291 1HB LEU 37 HB2 LEU 37 -4.052 2.867 -0.611 292 2HB LEU 37 HB1 LEU 37 -4.740 2.493 0.954 293 HG LEU 37 HG LEU 37 -2.768 1.594 1.442 294 1HD1 LEU 37 HD11 LEU 37 -3.983 -0.471 1.179 295 2HD1 LEU 37 HD12 LEU 37 -2.317 -0.695 0.652 296 3HD1 LEU 37 HD13 LEU 37 -3.601 -0.513 -0.542 297 1HD2 LEU 37 HD21 LEU 37 -1.442 2.601 -0.134 298 2HD2 LEU 37 HD22 LEU 37 -2.304 1.864 -1.485 299 3HD2 LEU 37 HD23 LEU 37 -1.180 0.901 -0.522 300 H GLN 38 HN GLN 38 -6.596 2.076 1.439 301 HA GLN 38 HA GLN 38 -6.724 -0.075 3.116 302 1HB GLN 38 HB2 GLN 38 -8.795 0.970 4.068 303 2HB GLN 38 HB1 GLN 38 -7.434 2.070 3.890 304 1HG GLN 38 HG2 GLN 38 -8.481 3.341 2.375 305 2HG GLN 38 HG1 GLN 38 -9.282 1.969 1.610 306 1HE2 GLN 38 HE21 GLN 38 -11.394 2.099 1.741 307 2HE2 GLN 38 HE22 GLN 38 -12.303 2.733 3.067 308 H ASN 39 HN ASN 39 -8.638 0.476 0.240 309 HA ASN 39 HA ASN 39 -10.594 -1.542 0.860 310 1HB ASN 39 HB2 ASN 39 -10.926 0.442 -0.713 311 2HB ASN 39 HB1 ASN 39 -9.955 -0.448 -1.883 312 1HD2 ASN 39 HD21 ASN 39 -10.720 -2.648 -2.409 313 2HD2 ASN 39 HD22 ASN 39 -12.425 -2.911 -2.502 314 H VAL 40 HN VAL 40 -7.484 -1.429 -0.677 315 HA VAL 40 HA VAL 40 -7.698 -3.986 -1.953 316 HB VAL 40 HB VAL 40 -5.286 -2.272 -1.331 317 1HG1 VAL 40 HG11 VAL 40 -5.517 -4.990 -2.431 318 2HG1 VAL 40 HG12 VAL 40 -4.148 -4.187 -1.661 319 3HG1 VAL 40 HG13 VAL 40 -4.502 -3.887 -3.363 320 1HG2 VAL 40 HG21 VAL 40 -5.513 -1.328 -3.389 321 2HG2 VAL 40 HG22 VAL 40 -7.212 -1.668 -3.057 322 3HG2 VAL 40 HG23 VAL 40 -6.279 -2.757 -4.082 323 H ILE 41 HN ILE 41 -6.236 -2.755 1.041 324 HA ILE 41 HA ILE 41 -4.876 -4.951 1.937 325 HB ILE 41 HB ILE 41 -5.218 -2.661 3.074 326 1HG1 ILE 41 HG12 ILE 41 -4.829 -3.803 5.378 327 2HG1 ILE 41 HG11 ILE 41 -4.899 -5.304 4.460 328 1HG2 ILE 41 HG21 ILE 41 -7.154 -3.987 4.875 329 2HG2 ILE 41 HG22 ILE 41 -7.772 -3.362 3.348 330 3HG2 ILE 41 HG23 ILE 41 -6.957 -2.280 4.475 331 1HD1 ILE 41 HD11 ILE 41 -2.933 -4.886 3.367 332 2HD1 ILE 41 HD12 ILE 41 -2.621 -4.123 4.926 333 3HD1 ILE 41 HD13 ILE 41 -3.082 -3.137 3.538 334 H GLU 42 HN GLU 42 -8.342 -4.478 1.843 335 HA GLU 42 HA GLU 42 -8.962 -6.810 3.406 336 1HB GLU 42 HB2 GLU 42 -10.813 -5.405 1.480 337 2HB GLU 42 HB1 GLU 42 -11.247 -6.343 2.905 338 1HG GLU 42 HG2 GLU 42 -9.570 -4.240 3.759 339 2HG GLU 42 HG1 GLU 42 -10.767 -3.550 2.665 340 H ASP 43 HN ASP 43 -8.429 -6.078 0.066 341 HA ASP 43 HA ASP 43 -9.396 -8.648 -0.827 342 1HB ASP 43 HB2 ASP 43 -8.029 -6.347 -2.225 343 2HB ASP 43 HB1 ASP 43 -8.366 -7.872 -3.038 344 H ILE 44 HN ILE 44 -6.427 -7.205 0.220 345 HA ILE 44 HA ILE 44 -4.794 -9.340 -0.862 346 HB ILE 44 HB ILE 44 -3.874 -7.237 1.085 347 1HG1 ILE 44 HG12 ILE 44 -4.865 -6.023 -0.752 348 2HG1 ILE 44 HG11 ILE 44 -3.118 -5.955 -0.926 349 1HG2 ILE 44 HG21 ILE 44 -2.502 -9.321 0.482 350 2HG2 ILE 44 HG22 ILE 44 -1.714 -7.747 0.381 351 3HG2 ILE 44 HG23 ILE 44 -2.278 -8.546 -1.086 352 1HD1 ILE 44 HD11 ILE 44 -5.144 -7.307 -2.602 353 2HD1 ILE 44 HD12 ILE 44 -3.565 -8.076 -2.442 354 3HD1 ILE 44 HD13 ILE 44 -3.685 -6.430 -3.063 355 H HIS 45 HN HIS 45 -5.598 -8.107 2.378 356 HA HIS 45 HA HIS 45 -4.349 -10.217 3.764 357 1HB HIS 45 HB2 HIS 45 -5.027 -9.150 5.658 358 2HB HIS 45 HB1 HIS 45 -5.339 -7.840 4.526 359 HD1 HIS 45 HD1 HIS 45 -6.849 -8.936 7.336 360 HD2 HIS 45 HD2 HIS 45 -8.252 -8.672 3.436 361 HE1 HIS 45 HE1 HIS 45 -9.355 -8.857 7.530 362 HE2 HIS 45 HE2 HIS 45 -10.179 -8.601 5.162 363 H ASP 46 HN ASP 46 -7.485 -9.943 2.263 364 HA ASP 46 HA ASP 46 -8.509 -12.297 3.627 365 1HB ASP 46 HB2 ASP 46 -9.979 -10.351 3.009 366 2HB ASP 46 HB1 ASP 46 -9.747 -10.782 1.319 367 H PHE 47 HN PHE 47 -7.558 -11.344 0.348 368 HA PHE 47 HA PHE 47 -8.010 -13.913 -0.787 369 1HB PHE 47 HB2 PHE 47 -6.355 -11.565 -1.691 370 2HB PHE 47 HB1 PHE 47 -6.399 -13.068 -2.596 371 HD1 PHE 47 HD1 PHE 47 -9.375 -11.839 -0.837 372 HD2 PHE 47 HD2 PHE 47 -7.312 -12.020 -4.557 373 HE1 PHE 47 HE1 PHE 47 -11.412 -11.102 -1.997 374 HE2 PHE 47 HE2 PHE 47 -9.350 -11.283 -5.723 375 HZ PHE 47 HZ PHE 47 -11.402 -10.823 -4.443 376 H MET 48 HN MET 48 -5.447 -12.599 1.113 377 HA MET 48 HA MET 48 -3.261 -14.125 0.363 378 1HB MET 48 HB2 MET 48 -3.859 -12.390 2.442 379 2HB MET 48 HB1 MET 48 -3.529 -13.907 3.263 380 1HG MET 48 HG2 MET 48 -1.341 -13.816 2.824 381 2HG MET 48 HG1 MET 48 -1.592 -13.227 1.182 382 1HE MET 48 HE1 MET 48 -0.370 -11.708 0.607 383 2HE MET 48 HE2 MET 48 0.664 -10.808 1.716 384 3HE MET 48 HE3 MET 48 -0.716 -10.015 0.958 385 H GLN 49 HN GLN 49 -6.165 -15.073 1.996 386 HA GLN 49 HA GLN 49 -5.053 -17.630 2.813 387 1HB GLN 49 HB2 GLN 49 -7.346 -16.007 3.555 388 2HB GLN 49 HB1 GLN 49 -7.803 -17.683 3.281 389 1HG GLN 49 HG2 GLN 49 -5.941 -18.337 4.833 390 2HG GLN 49 HG1 GLN 49 -5.773 -16.627 5.226 391 1HE2 GLN 49 HE21 GLN 49 -6.484 -16.523 7.260 392 2HE2 GLN 49 HE22 GLN 49 -8.042 -17.041 7.798 393 H GLY 50 HN GLY 50 -5.847 -16.566 -0.070 394 1HA GLY 50 HA2 GLY 50 -6.041 -18.021 -1.935 395 2HA GLY 50 HA1 GLY 50 -6.855 -19.188 -0.906 396 H GLY 51 HN GLY 51 -8.256 -16.319 -0.136 397 1HA GLY 51 HA2 GLY 51 -10.748 -16.871 -1.168 398 2HA GLY 51 HA1 GLY 51 -10.198 -15.251 -0.762 399 H GLY 52 HN GLY 52 -8.165 -14.985 -2.664 400 1HA GLY 52 HA2 GLY 52 -9.182 -15.553 -5.291 401 2HA GLY 52 HA1 GLY 52 -9.399 -13.872 -4.826 402 H SER 53 HN SER 53 -6.679 -15.648 -3.618 403 HA SER 53 HA SER 53 -4.814 -13.796 -4.619 404 1HB SER 53 HB2 SER 53 -3.336 -14.877 -3.277 405 2HB SER 53 HB1 SER 53 -4.766 -15.713 -2.670 406 HG SER 53 HG SER 53 -3.619 -17.395 -3.270 407 H GLY 54 HN GLY 54 -2.695 -15.223 -5.592 408 1HA GLY 54 HA2 GLY 54 -1.925 -16.492 -7.399 409 2HA GLY 54 HA1 GLY 54 -3.588 -16.765 -7.890 410 H GLY 55 HN GLY 55 -4.703 -14.532 -8.521 411 1HA GLY 55 HA2 GLY 55 -2.791 -13.123 -10.280 412 2HA GLY 55 HA1 GLY 55 -4.389 -13.598 -10.824 413 H LYS 56 HN LYS 56 -4.394 -12.548 -7.592 414 HA LYS 56 HA LYS 56 -5.744 -10.098 -8.392 415 1HB LYS 56 HB2 LYS 56 -6.774 -11.497 -6.671 416 2HB LYS 56 HB1 LYS 56 -5.343 -11.337 -5.666 417 1HG LYS 56 HG2 LYS 56 -6.718 -8.854 -6.528 418 2HG LYS 56 HG1 LYS 56 -7.490 -9.847 -5.294 419 1HD LYS 56 HD2 LYS 56 -4.639 -8.874 -5.131 420 2HD LYS 56 HD1 LYS 56 -6.009 -8.039 -4.404 421 1HE LYS 56 HE2 LYS 56 -5.337 -9.269 -2.619 422 2HE LYS 56 HE1 LYS 56 -6.443 -10.418 -3.353 423 1HZ LYS 56 HZ1 LYS 56 -3.728 -10.574 -4.327 424 2HZ LYS 56 HZ2 LYS 56 -4.783 -11.812 -3.859 425 3HZ LYS 56 HZ3 LYS 56 -3.906 -10.964 -2.690 426 H LEU 57 HN LEU 57 -2.934 -11.057 -6.459 427 HA LEU 57 HA LEU 57 -2.202 -8.517 -5.587 428 1HB LEU 57 HB2 LEU 57 -1.088 -11.139 -5.553 429 2HB LEU 57 HB1 LEU 57 0.164 -10.015 -6.040 430 HG LEU 57 HG LEU 57 0.459 -10.040 -3.766 431 1HD1 LEU 57 HD11 LEU 57 -1.670 -7.935 -3.781 432 2HD1 LEU 57 HD12 LEU 57 -0.161 -7.718 -4.669 433 3HD1 LEU 57 HD13 LEU 57 -0.131 -7.957 -2.922 434 1HD2 LEU 57 HD21 LEU 57 -1.008 -10.823 -2.270 435 2HD2 LEU 57 HD22 LEU 57 -1.950 -11.297 -3.684 436 3HD2 LEU 57 HD23 LEU 57 -2.309 -9.784 -2.851 437 H GLN 58 HN GLN 58 -2.097 -9.730 -8.777 438 HA GLN 58 HA GLN 58 0.120 -8.041 -9.555 439 1HB GLN 58 HB2 GLN 58 -0.323 -8.864 -11.843 440 2HB GLN 58 HB1 GLN 58 -0.106 -10.170 -10.687 441 1HG GLN 58 HG2 GLN 58 -2.564 -10.393 -10.548 442 2HG GLN 58 HG1 GLN 58 -2.711 -9.171 -11.811 443 1HE2 GLN 58 HE21 GLN 58 -3.704 -11.798 -11.993 444 2HE2 GLN 58 HE22 GLN 58 -2.858 -12.605 -13.264 445 H GLU 59 HN GLU 59 -3.367 -8.170 -10.252 446 HA GLU 59 HA GLU 59 -3.248 -5.558 -11.504 447 1HB GLU 59 HB2 GLU 59 -4.719 -7.329 -12.408 448 2HB GLU 59 HB1 GLU 59 -5.635 -7.317 -10.907 449 1HG GLU 59 HG2 GLU 59 -6.959 -5.803 -11.824 450 2HG GLU 59 HG1 GLU 59 -5.614 -4.666 -11.738 451 H MET 60 HN MET 60 -4.160 -6.979 -8.462 452 HA MET 60 HA MET 60 -5.547 -4.649 -7.513 453 1HB MET 60 HB2 MET 60 -6.026 -6.973 -6.714 454 2HB MET 60 HB1 MET 60 -4.469 -6.961 -5.896 455 1HG MET 60 HG2 MET 60 -5.504 -6.121 -4.134 456 2HG MET 60 HG1 MET 60 -5.702 -4.628 -5.050 457 1HE MET 60 HE1 MET 60 -7.436 -4.123 -6.544 458 2HE MET 60 HE2 MET 60 -9.126 -4.326 -6.082 459 3HE MET 60 HE3 MET 60 -8.383 -5.448 -7.221 460 H MET 61 HN MET 61 -2.263 -5.899 -7.365 461 HA MET 61 HA MET 61 -1.293 -4.357 -5.244 462 1HB MET 61 HB2 MET 61 0.135 -6.033 -6.076 463 2HB MET 61 HB1 MET 61 0.029 -5.437 -7.725 464 1HG MET 61 HG2 MET 61 1.124 -3.368 -6.131 465 2HG MET 61 HG1 MET 61 1.959 -4.862 -5.722 466 1HE MET 61 HE1 MET 61 0.669 -2.958 -9.079 467 2HE MET 61 HE2 MET 61 2.285 -2.410 -9.523 468 3HE MET 61 HE3 MET 61 1.600 -1.963 -7.960 469 H LYS 62 HN LYS 62 -1.710 -3.541 -8.658 470 HA LYS 62 HA LYS 62 -0.421 -1.050 -8.621 471 1HB LYS 62 HB2 LYS 62 -1.417 -2.493 -10.591 472 2HB LYS 62 HB1 LYS 62 -2.835 -1.485 -10.330 473 1HG LYS 62 HG2 LYS 62 -0.678 0.286 -10.397 474 2HG LYS 62 HG1 LYS 62 -0.376 -0.876 -11.691 475 1HD LYS 62 HD2 LYS 62 -2.128 -0.155 -12.918 476 2HD LYS 62 HD1 LYS 62 -3.145 0.104 -11.499 477 1HE LYS 62 HE2 LYS 62 -2.190 2.214 -11.073 478 2HE LYS 62 HE1 LYS 62 -0.840 1.912 -12.165 479 1HZ LYS 62 HZ1 LYS 62 -2.051 2.478 -13.961 480 2HZ LYS 62 HZ2 LYS 62 -2.967 3.347 -12.836 481 3HZ LYS 62 HZ3 LYS 62 -3.490 1.825 -13.356 482 H GLU 63 HN GLU 63 -3.403 -2.053 -7.256 483 HA GLU 63 HA GLU 63 -4.669 0.514 -7.257 484 1HB GLU 63 HB2 GLU 63 -5.892 -1.667 -7.144 485 2HB GLU 63 HB1 GLU 63 -5.291 -1.863 -5.505 486 1HG GLU 63 HG2 GLU 63 -6.583 -0.121 -4.685 487 2HG GLU 63 HG1 GLU 63 -6.819 0.585 -6.282 488 H PHE 64 HN PHE 64 -2.546 -1.222 -5.058 489 HA PHE 64 HA PHE 64 -2.966 0.736 -2.960 490 1HB PHE 64 HB2 PHE 64 -1.720 -0.670 -1.547 491 2HB PHE 64 HB1 PHE 64 -2.594 -1.782 -2.590 492 HD1 PHE 64 HD1 PHE 64 -1.465 -3.550 -3.443 493 HD2 PHE 64 HD2 PHE 64 0.710 -0.024 -2.471 494 HE1 PHE 64 HE1 PHE 64 0.633 -4.689 -4.021 495 HE2 PHE 64 HE2 PHE 64 2.811 -1.159 -3.055 496 HZ PHE 64 HZ PHE 64 2.772 -3.492 -3.828 497 H GLN 65 HN GLN 65 -0.774 0.103 -5.545 498 HA GLN 65 HA GLN 65 1.295 1.853 -4.551 499 1HB GLN 65 HB2 GLN 65 1.502 -0.214 -6.159 500 2HB GLN 65 HB1 GLN 65 1.115 0.964 -7.405 501 1HG GLN 65 HG2 GLN 65 3.102 2.045 -7.201 502 2HG GLN 65 HG1 GLN 65 3.267 1.652 -5.490 503 1HE2 GLN 65 HE21 GLN 65 4.366 -0.140 -4.893 504 2HE2 GLN 65 HE22 GLN 65 5.158 -1.205 -6.000 505 H GLN 66 HN GLN 66 -1.472 2.025 -6.680 506 HA GLN 66 HA GLN 66 -0.883 4.377 -8.071 507 1HB GLN 66 HB2 GLN 66 -2.784 2.852 -8.582 508 2HB GLN 66 HB1 GLN 66 -3.606 3.441 -7.143 509 1HG GLN 66 HG2 GLN 66 -3.509 5.735 -8.135 510 2HG GLN 66 HG1 GLN 66 -2.905 4.998 -9.617 511 1HE2 GLN 66 HE21 GLN 66 -4.311 4.131 -11.015 512 2HE2 GLN 66 HE22 GLN 66 -6.014 4.005 -10.752 513 H VAL 67 HN VAL 67 -2.217 3.846 -4.872 514 HA VAL 67 HA VAL 67 -3.104 6.402 -4.223 515 HB VAL 67 HB VAL 67 -1.776 4.328 -2.460 516 1HG1 VAL 67 HG11 VAL 67 -1.980 6.827 -1.649 517 2HG1 VAL 67 HG12 VAL 67 -2.356 5.484 -0.572 518 3HG1 VAL 67 HG13 VAL 67 -3.658 6.363 -1.374 519 1HG2 VAL 67 HG21 VAL 67 -3.638 3.193 -2.932 520 2HG2 VAL 67 HG22 VAL 67 -4.442 4.607 -3.612 521 3HG2 VAL 67 HG23 VAL 67 -4.448 4.343 -1.869 522 H LEU 68 HN LEU 68 0.131 5.016 -4.029 523 HA LEU 68 HA LEU 68 1.314 7.381 -2.932 524 1HB LEU 68 HB2 LEU 68 2.206 4.726 -3.844 525 2HB LEU 68 HB1 LEU 68 3.393 6.011 -3.993 526 HG LEU 68 HG LEU 68 2.513 6.445 -1.458 527 1HD1 LEU 68 HD11 LEU 68 2.839 3.733 -0.847 528 2HD1 LEU 68 HD12 LEU 68 1.657 3.775 -2.154 529 3HD1 LEU 68 HD13 LEU 68 1.372 4.697 -0.678 530 1HD2 LEU 68 HD21 LEU 68 4.584 4.543 -1.241 531 2HD2 LEU 68 HD22 LEU 68 4.732 6.300 -1.294 532 3HD2 LEU 68 HD23 LEU 68 4.826 5.363 -2.783 533 H ASP 69 HN ASP 69 0.269 6.470 -6.034 534 HA ASP 69 HA ASP 69 2.163 7.808 -7.654 535 1HB ASP 69 HB2 ASP 69 0.111 6.154 -8.206 536 2HB ASP 69 HB1 ASP 69 -0.671 7.695 -8.549 537 H GLU 70 HN GLU 70 -1.048 8.766 -6.443 538 HA GLU 70 HA GLU 70 -1.061 11.395 -7.419 539 1HB GLU 70 HB2 GLU 70 -2.930 10.014 -6.228 540 2HB GLU 70 HB1 GLU 70 -2.243 10.670 -4.745 541 1HG GLU 70 HG2 GLU 70 -4.026 12.075 -5.326 542 2HG GLU 70 HG1 GLU 70 -2.552 12.951 -5.740 543 H LEU 71 HN LEU 71 0.597 9.895 -4.831 544 HA LEU 71 HA LEU 71 1.158 12.153 -3.229 545 1HB LEU 71 HB2 LEU 71 1.757 9.342 -3.304 546 2HB LEU 71 HB1 LEU 71 3.190 10.269 -2.857 547 HG LEU 71 HG LEU 71 1.585 11.527 -1.314 548 1HD1 LEU 71 HD11 LEU 71 -0.336 10.254 -0.589 549 2HD1 LEU 71 HD12 LEU 71 0.128 8.898 -1.617 550 3HD1 LEU 71 HD13 LEU 71 -0.402 10.414 -2.341 551 1HD2 LEU 71 HD21 LEU 71 3.378 9.520 -0.917 552 2HD2 LEU 71 HD22 LEU 71 1.919 8.816 -0.230 553 3HD2 LEU 71 HD23 LEU 71 2.519 10.356 0.376 554 H ASN 72 HN ASN 72 3.424 10.229 -5.200 555 HA ASN 72 HA ASN 72 5.600 11.876 -5.106 556 1HB ASN 72 HB2 ASN 72 5.071 9.581 -6.377 557 2HB ASN 72 HB1 ASN 72 4.978 10.674 -7.755 558 1HD2 ASN 72 HD21 ASN 72 6.887 8.662 -7.507 559 2HD2 ASN 72 HD22 ASN 72 8.445 9.393 -7.357 560 H ASN 73 HN ASN 73 2.606 12.433 -6.690 561 HA ASN 73 HA ASN 73 3.599 14.464 -8.461 562 1HB ASN 73 HB2 ASN 73 0.769 13.661 -7.769 563 2HB ASN 73 HB1 ASN 73 1.228 14.777 -9.052 564 1HD2 ASN 73 HD21 ASN 73 -0.253 12.741 -9.809 565 2HD2 ASN 73 HD22 ASN 73 0.671 11.546 -10.646 566 H HIS 74 HN HIS 74 2.316 14.376 -5.147 567 HA HIS 74 HA HIS 74 2.531 17.323 -5.222 568 1HB HIS 74 HB2 HIS 74 0.163 15.714 -4.384 569 2HB HIS 74 HB1 HIS 74 0.506 17.228 -3.552 570 HD1 HIS 74 HD1 HIS 74 0.665 19.387 -5.195 571 HD2 HIS 74 HD2 HIS 74 -1.175 15.995 -6.735 572 HE1 HIS 74 HE1 HIS 74 -0.651 20.181 -7.185 573 HE2 HIS 74 HE2 HIS 74 -1.688 18.098 -8.149 574 H LEU 75 HN LEU 75 4.399 15.370 -4.199 575 HA LEU 75 HA LEU 75 4.341 15.034 -1.427 576 1HB LEU 75 HB2 LEU 75 6.248 14.787 -3.503 577 2HB LEU 75 HB1 LEU 75 6.977 15.824 -2.293 578 HG LEU 75 HG LEU 75 7.687 13.761 -1.590 579 1HD1 LEU 75 HD11 LEU 75 6.142 14.993 0.102 580 2HD1 LEU 75 HD12 LEU 75 6.693 13.354 0.450 581 3HD1 LEU 75 HD13 LEU 75 5.063 13.623 -0.172 582 1HD2 LEU 75 HD21 LEU 75 5.005 12.541 -2.199 583 2HD2 LEU 75 HD22 LEU 75 6.507 11.705 -1.804 584 3HD2 LEU 75 HD23 LEU 75 6.354 12.565 -3.335 585 H GLN 76 HN GLN 76 3.423 16.808 -0.431 586 HA GLN 76 HA GLN 76 4.134 19.474 -0.881 587 1HB GLN 76 HB2 GLN 76 2.041 18.608 0.250 588 2HB GLN 76 HB1 GLN 76 3.010 18.384 1.700 589 1HG GLN 76 HG2 GLN 76 1.866 20.450 1.907 590 2HG GLN 76 HG1 GLN 76 3.568 20.811 1.615 591 1HE2 GLN 76 HE21 GLN 76 2.906 22.905 0.940 592 2HE2 GLN 76 HE22 GLN 76 2.262 23.160 -0.643 593 H GLY 77 HN GLY 77 6.535 18.994 -0.887 594 1HA GLY 77 HA2 GLY 77 8.614 19.216 0.066 595 2HA GLY 77 HA1 GLY 77 7.807 20.277 1.209 596 H GLY 78 HN GLY 78 6.873 16.939 0.971 597 1HA GLY 78 HA2 GLY 78 8.333 16.391 3.481 598 2HA GLY 78 HA1 GLY 78 6.656 15.916 3.258 599 H LYS 79 HN LYS 79 9.289 15.704 0.912 600 HA LYS 79 HA LYS 79 8.688 13.220 -0.077 601 1HB LYS 79 HB2 LYS 79 10.946 13.125 -0.943 602 2HB LYS 79 HB1 LYS 79 10.341 14.771 -1.062 603 1HG LYS 79 HG2 LYS 79 11.587 14.732 1.394 604 2HG LYS 79 HG1 LYS 79 12.628 13.722 0.389 605 1HD LYS 79 HD2 LYS 79 13.469 15.889 0.100 606 2HD LYS 79 HD1 LYS 79 12.479 15.611 -1.335 607 1HE LYS 79 HE2 LYS 79 11.068 17.262 -0.806 608 2HE LYS 79 HE1 LYS 79 10.967 16.747 0.877 609 1HZ LYS 79 HZ1 LYS 79 12.774 18.683 -0.369 610 2HZ LYS 79 HZ2 LYS 79 13.363 17.784 0.936 611 3HZ LYS 79 HZ3 LYS 79 11.987 18.749 1.127 612 H HIS 80 HN HIS 80 10.420 14.000 2.858 613 HA HIS 80 HA HIS 80 11.639 11.540 3.358 614 1HB HIS 80 HB2 HIS 80 11.996 13.684 4.636 615 2HB HIS 80 HB1 HIS 80 10.472 13.372 5.460 616 HD1 HIS 80 HD1 HIS 80 10.864 12.414 7.694 617 HD2 HIS 80 HD2 HIS 80 13.717 11.135 4.957 618 HE1 HIS 80 HE1 HIS 80 12.390 10.883 8.980 619 HE2 HIS 80 HE2 HIS 80 14.051 10.047 7.279 620 H THR 81 HN THR 81 8.327 12.573 3.771 621 HA THR 81 HA THR 81 7.486 10.409 5.409 622 HB THR 81 HB THR 81 6.145 12.498 3.746 623 HG1 THR 81 HG1 THR 81 5.714 11.654 6.416 624 1HG2 THR 81 HG21 THR 81 3.978 11.350 4.851 625 2HG2 THR 81 HG22 THR 81 4.899 9.911 4.394 626 3HG2 THR 81 HG23 THR 81 4.476 11.121 3.171 627 H VAL 82 HN VAL 82 6.462 11.039 2.091 628 HA VAL 82 HA VAL 82 5.651 8.491 1.443 629 HB VAL 82 HB VAL 82 7.032 10.302 -0.533 630 1HG1 VAL 82 HG11 VAL 82 5.319 9.319 -2.064 631 2HG1 VAL 82 HG12 VAL 82 4.860 8.224 -0.759 632 3HG1 VAL 82 HG13 VAL 82 6.486 8.154 -1.439 633 1HG2 VAL 82 HG21 VAL 82 4.351 10.534 0.768 634 2HG2 VAL 82 HG22 VAL 82 4.609 11.139 -0.867 635 3HG2 VAL 82 HG23 VAL 82 5.557 11.779 0.474 636 H HIS 83 HN HIS 83 8.934 9.860 1.222 637 HA HIS 83 HA HIS 83 10.206 7.833 -0.148 638 1HB HIS 83 HB2 HIS 83 11.068 9.735 1.985 639 2HB HIS 83 HB1 HIS 83 12.142 8.394 1.603 640 HD1 HIS 83 HD1 HIS 83 13.827 10.244 0.731 641 HD2 HIS 83 HD2 HIS 83 10.311 9.856 -1.450 642 HE1 HIS 83 HE1 HIS 83 14.254 11.425 -1.448 643 HE2 HIS 83 HE2 HIS 83 12.147 11.092 -2.788 644 H HIS 84 HN HIS 84 9.315 7.995 3.257 645 HA HIS 84 HA HIS 84 10.434 5.429 3.891 646 1HB HIS 84 HB2 HIS 84 9.021 7.574 5.326 647 2HB HIS 84 HB1 HIS 84 8.663 5.954 5.914 648 HD1 HIS 84 HD1 HIS 84 11.726 8.078 5.157 649 HD2 HIS 84 HD2 HIS 84 10.483 5.031 7.692 650 HE1 HIS 84 HE1 HIS 84 13.645 7.693 6.735 651 HE2 HIS 84 HE2 HIS 84 12.824 5.925 8.331 652 H ILE 85 HN ILE 85 7.387 6.623 2.723 653 HA ILE 85 HA ILE 85 6.002 4.159 3.334 654 HB ILE 85 HB ILE 85 4.066 5.241 3.006 655 1HG1 ILE 85 HG12 ILE 85 5.024 6.920 0.722 656 2HG1 ILE 85 HG11 ILE 85 4.542 5.245 0.492 657 1HG2 ILE 85 HG21 ILE 85 4.179 7.723 3.136 658 2HG2 ILE 85 HG22 ILE 85 5.927 7.564 3.016 659 3HG2 ILE 85 HG23 ILE 85 5.074 6.843 4.376 660 1HD1 ILE 85 HD11 ILE 85 2.357 5.699 0.706 661 2HD1 ILE 85 HD12 ILE 85 2.866 7.329 0.277 662 3HD1 ILE 85 HD13 ILE 85 2.623 6.899 1.968 663 H GLU 86 HN GLU 86 7.436 5.723 0.534 664 HA GLU 86 HA GLU 86 6.445 3.834 -1.366 665 1HB GLU 86 HB2 GLU 86 8.352 4.787 -2.798 666 2HB GLU 86 HB1 GLU 86 7.082 5.895 -2.304 667 1HG GLU 86 HG2 GLU 86 8.536 7.220 -1.314 668 2HG GLU 86 HG1 GLU 86 9.186 5.887 -0.364 669 H GLN 87 HN GLN 87 9.518 4.217 0.390 670 HA GLN 87 HA GLN 87 10.835 2.003 -0.732 671 1HB GLN 87 HB2 GLN 87 11.190 3.750 1.589 672 2HB GLN 87 HB1 GLN 87 11.722 2.104 1.896 673 1HG GLN 87 HG2 GLN 87 13.594 3.328 1.126 674 2HG GLN 87 HG1 GLN 87 13.103 2.245 -0.176 675 1HE2 GLN 87 HE21 GLN 87 12.087 3.112 -2.008 676 2HE2 GLN 87 HE22 GLN 87 12.224 4.787 -2.410 677 H ASN 88 HN ASN 88 8.386 2.336 1.696 678 HA ASN 88 HA ASN 88 8.568 -0.392 2.620 679 1HB ASN 88 HB2 ASN 88 6.987 2.023 3.317 680 2HB ASN 88 HB1 ASN 88 6.210 0.470 3.614 681 1HD2 ASN 88 HD21 ASN 88 9.416 1.940 4.027 682 2HD2 ASN 88 HD22 ASN 88 9.665 1.351 5.632 683 H ILE 89 HN ILE 89 5.848 1.467 1.235 684 HA ILE 89 HA ILE 89 4.296 -0.697 0.521 685 HB ILE 89 HB ILE 89 4.193 2.111 0.066 686 1HG1 ILE 89 HG12 ILE 89 1.823 0.613 -0.690 687 2HG1 ILE 89 HG11 ILE 89 2.549 -0.003 0.796 688 1HG2 ILE 89 HG21 ILE 89 4.772 1.720 -2.262 689 2HG2 ILE 89 HG22 ILE 89 3.075 2.180 -2.129 690 3HG2 ILE 89 HG23 ILE 89 3.511 0.493 -2.389 691 1HD1 ILE 89 HD11 ILE 89 1.705 1.683 1.948 692 2HD1 ILE 89 HD12 ILE 89 0.867 2.216 0.490 693 3HD1 ILE 89 HD13 ILE 89 2.464 2.858 0.875 694 H LYS 90 HN LYS 90 6.690 0.998 -1.503 695 HA LYS 90 HA LYS 90 6.252 -0.606 -3.766 696 1HB LYS 90 HB2 LYS 90 7.665 1.611 -3.435 697 2HB LYS 90 HB1 LYS 90 8.986 0.472 -3.212 698 1HG LYS 90 HG2 LYS 90 9.193 0.659 -5.435 699 2HG LYS 90 HG1 LYS 90 7.863 -0.502 -5.471 700 1HD LYS 90 HD2 LYS 90 7.046 1.122 -6.873 701 2HD LYS 90 HD1 LYS 90 6.390 1.669 -5.328 702 1HE LYS 90 HE2 LYS 90 7.287 3.634 -6.028 703 2HE LYS 90 HE1 LYS 90 8.717 2.957 -5.250 704 1HZ LYS 90 HZ1 LYS 90 9.729 2.580 -7.229 705 2HZ LYS 90 HZ2 LYS 90 8.774 3.893 -7.698 706 3HZ LYS 90 HZ3 LYS 90 8.283 2.317 -8.069 707 H GLU 91 HN GLU 91 8.058 -1.081 -0.852 708 HA GLU 91 HA GLU 91 9.337 -3.496 -1.863 709 1HB GLU 91 HB2 GLU 91 10.597 -1.942 -0.386 710 2HB GLU 91 HB1 GLU 91 9.448 -2.274 0.902 711 1HG GLU 91 HG2 GLU 91 10.418 -4.212 1.430 712 2HG GLU 91 HG1 GLU 91 10.629 -4.675 -0.258 713 H ILE 92 HN ILE 92 6.371 -2.667 -0.679 714 HA ILE 92 HA ILE 92 5.885 -4.899 1.043 715 HB ILE 92 HB ILE 92 4.423 -2.525 0.201 716 1HG1 ILE 92 HG12 ILE 92 3.547 -2.651 2.451 717 2HG1 ILE 92 HG11 ILE 92 4.075 -4.323 2.603 718 1HG2 ILE 92 HG21 ILE 92 2.170 -3.551 0.641 719 2HG2 ILE 92 HG22 ILE 92 2.936 -5.124 0.417 720 3HG2 ILE 92 HG23 ILE 92 2.906 -3.961 -0.910 721 1HD1 ILE 92 HD11 ILE 92 5.630 -1.813 2.783 722 2HD1 ILE 92 HD12 ILE 92 6.433 -3.230 2.104 723 3HD1 ILE 92 HD13 ILE 92 5.751 -3.296 3.729 724 H PHE 93 HN PHE 93 5.098 -3.956 -2.270 725 HA PHE 93 HA PHE 93 3.512 -6.090 -3.030 726 1HB PHE 93 HB2 PHE 93 3.734 -5.255 -5.133 727 2HB PHE 93 HB1 PHE 93 4.545 -3.926 -4.312 728 HD1 PHE 93 HD1 PHE 93 4.791 -5.984 -7.032 729 HD2 PHE 93 HD2 PHE 93 7.128 -4.589 -3.766 730 HE1 PHE 93 HE1 PHE 93 6.844 -6.479 -8.292 731 HE2 PHE 93 HE2 PHE 93 9.178 -5.080 -5.012 732 HZ PHE 93 HZ PHE 93 9.047 -6.021 -7.288 733 H HIS 94 HN HIS 94 6.953 -5.949 -2.498 734 HA HIS 94 HA HIS 94 7.741 -8.240 -3.911 735 1HB HIS 94 HB2 HIS 94 9.184 -6.406 -2.764 736 2HB HIS 94 HB1 HIS 94 9.037 -7.410 -1.326 737 HD1 HIS 94 HD1 HIS 94 10.069 -9.860 -1.517 738 HD2 HIS 94 HD2 HIS 94 11.062 -7.236 -4.582 739 HE1 HIS 94 HE1 HIS 94 12.046 -10.896 -2.675 740 HE2 HIS 94 HE2 HIS 94 12.572 -9.336 -4.582 741 H HIS 95 HN HIS 95 7.342 -7.933 -0.391 742 HA HIS 95 HA HIS 95 7.261 -10.710 0.076 743 1HB HIS 95 HB2 HIS 95 6.295 -8.357 1.703 744 2HB HIS 95 HB1 HIS 95 6.210 -10.017 2.285 745 HD1 HIS 95 HD1 HIS 95 7.838 -8.660 4.129 746 HD2 HIS 95 HD2 HIS 95 9.455 -9.745 0.457 747 HE1 HIS 95 HE1 HIS 95 10.331 -8.635 4.458 748 HE2 HIS 95 HE2 HIS 95 11.285 -9.377 2.247 749 H LEU 96 HN LEU 96 5.027 -8.696 -1.431 750 HA LEU 96 HA LEU 96 2.680 -10.188 -0.569 751 1HB LEU 96 HB2 LEU 96 3.133 -7.843 -2.391 752 2HB LEU 96 HB1 LEU 96 1.581 -8.665 -2.325 753 HG LEU 96 HG LEU 96 2.974 -7.272 -0.058 754 1HD1 LEU 96 HD11 LEU 96 0.452 -6.626 -1.579 755 2HD1 LEU 96 HD12 LEU 96 1.975 -5.744 -1.664 756 3HD1 LEU 96 HD13 LEU 96 1.041 -5.751 -0.167 757 1HD2 LEU 96 HD21 LEU 96 1.795 -9.198 0.796 758 2HD2 LEU 96 HD22 LEU 96 0.348 -8.743 -0.103 759 3HD2 LEU 96 HD23 LEU 96 0.919 -7.727 1.222 760 H GLU 97 HN GLU 97 4.080 -9.343 -3.734 761 HA GLU 97 HA GLU 97 2.729 -11.438 -5.085 762 1HB GLU 97 HB2 GLU 97 4.973 -9.578 -5.801 763 2HB GLU 97 HB1 GLU 97 4.557 -10.912 -6.870 764 1HG GLU 97 HG2 GLU 97 2.282 -9.283 -5.998 765 2HG GLU 97 HG1 GLU 97 3.471 -8.435 -6.986 766 H GLU 98 HN GLU 98 5.396 -11.424 -3.010 767 HA GLU 98 HA GLU 98 6.682 -13.736 -4.242 768 1HB GLU 98 HB2 GLU 98 7.284 -12.100 -1.783 769 2HB GLU 98 HB1 GLU 98 8.119 -13.608 -2.120 770 1HG GLU 98 HG2 GLU 98 8.038 -11.572 -4.271 771 2HG GLU 98 HG1 GLU 98 9.075 -11.265 -2.880 772 H LEU 99 HN LEU 99 4.403 -12.988 -1.751 773 HA LEU 99 HA LEU 99 4.593 -15.378 -0.252 774 1HB LEU 99 HB2 LEU 99 3.513 -13.394 0.636 775 2HB LEU 99 HB1 LEU 99 2.299 -13.454 -0.627 776 HG LEU 99 HG LEU 99 1.771 -15.813 0.385 777 1HD1 LEU 99 HD11 LEU 99 2.101 -15.806 2.845 778 2HD1 LEU 99 HD12 LEU 99 3.154 -14.404 2.656 779 3HD1 LEU 99 HD13 LEU 99 3.601 -15.942 1.925 780 1HD2 LEU 99 HD21 LEU 99 0.993 -13.229 1.734 781 2HD2 LEU 99 HD22 LEU 99 0.142 -14.766 1.893 782 3HD2 LEU 99 HD23 LEU 99 0.209 -13.952 0.329 783 H VAL 100 HN VAL 100 2.196 -14.360 -2.688 784 HA VAL 100 HA VAL 100 0.895 -16.852 -2.844 785 HB VAL 100 HB VAL 100 1.045 -14.760 -5.017 786 1HG1 VAL 100 HG11 VAL 100 -0.627 -15.834 -6.078 787 2HG1 VAL 100 HG12 VAL 100 -1.399 -16.343 -4.577 788 3HG1 VAL 100 HG13 VAL 100 -0.011 -17.235 -5.202 789 1HG2 VAL 100 HG21 VAL 100 -1.318 -14.772 -3.305 790 2HG2 VAL 100 HG22 VAL 100 -0.333 -13.423 -3.868 791 3HG2 VAL 100 HG23 VAL 100 0.164 -14.345 -2.450 792 H HIS 101 HN HIS 101 3.571 -15.474 -4.702 793 HA HIS 101 HA HIS 101 3.725 -17.453 -6.683 794 1HB HIS 101 HB2 HIS 101 4.959 -15.163 -6.462 795 2HB HIS 101 HB1 HIS 101 6.186 -16.105 -5.622 796 HD1 HIS 101 HD1 HIS 101 6.434 -18.574 -7.289 797 HD2 HIS 101 HD2 HIS 101 5.924 -14.804 -8.959 798 HE1 HIS 101 HE1 HIS 101 7.321 -18.752 -9.635 799 HE2 HIS 101 HE2 HIS 101 7.063 -16.441 -10.605 800 H ARG 102 HN ARG 102 4.940 -17.350 -3.400 801 HA ARG 102 HA ARG 102 6.603 -19.671 -3.677 802 1HB ARG 102 HB2 ARG 102 6.330 -17.638 -1.798 803 2HB ARG 102 HB1 ARG 102 5.767 -19.073 -0.954 804 1HG ARG 102 HG2 ARG 102 7.937 -20.160 -1.825 805 2HG ARG 102 HG1 ARG 102 8.465 -18.500 -2.107 806 1HD ARG 102 HD2 ARG 102 8.612 -18.025 0.110 807 2HD ARG 102 HD1 ARG 102 7.283 -19.102 0.540 808 HE ARG 102 HE ARG 102 9.635 -20.491 -0.342 809 1HH1 ARG 102 HH11 ARG 102 8.059 -19.015 2.399 810 2HH1 ARG 102 HH12 ARG 102 8.914 -19.969 3.564 811 1HH2 ARG 102 HH21 ARG 102 10.762 -21.746 1.187 812 2HH2 ARG 102 HH22 ARG 102 10.451 -21.519 2.876 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -0.075 -22.727 5.832 2 2H MET 1 HT2 MET 1 1.256 -21.717 5.442 3 3H MET 1 HT3 MET 1 0.068 -22.071 4.255 4 HA MET 1 HA MET 1 -1.528 -20.807 5.290 5 1HB MET 1 HB2 MET 1 -0.951 -19.738 7.541 6 2HB MET 1 HB1 MET 1 -1.302 -21.460 7.545 7 1HG MET 1 HG2 MET 1 1.043 -21.987 7.663 8 2HG MET 1 HG1 MET 1 1.465 -20.282 7.511 9 1HE MET 1 HE1 MET 1 1.601 -22.976 9.862 10 2HE MET 1 HE2 MET 1 -0.160 -23.035 9.774 11 3HE MET 1 HE3 MET 1 0.635 -22.570 11.280 12 H TYR 2 HN TYR 2 -1.067 -19.466 3.563 13 HA TYR 2 HA TYR 2 1.140 -17.561 3.859 14 1HB TYR 2 HB2 TYR 2 -0.600 -18.286 1.495 15 2HB TYR 2 HB1 TYR 2 0.586 -16.984 1.466 16 HD1 TYR 2 HD1 TYR 2 0.086 -20.228 0.479 17 HD2 TYR 2 HD2 TYR 2 2.982 -17.855 2.500 18 HE1 TYR 2 HE1 TYR 2 1.833 -21.845 -0.138 19 HE2 TYR 2 HE2 TYR 2 4.738 -19.464 1.888 20 HH TYR 2 HH TYR 2 5.177 -21.184 0.269 21 H GLY 3 HN GLY 3 -0.637 -16.924 5.678 22 1HA GLY 3 HA2 GLY 3 -2.215 -14.727 4.489 23 2HA GLY 3 HA1 GLY 3 -2.741 -15.632 5.899 24 H LYS 4 HN LYS 4 0.088 -15.631 6.933 25 HA LYS 4 HA LYS 4 -0.136 -13.344 8.567 26 1HB LYS 4 HB2 LYS 4 1.115 -15.495 9.101 27 2HB LYS 4 HB1 LYS 4 2.408 -14.888 8.072 28 1HG LYS 4 HG2 LYS 4 3.109 -14.263 10.175 29 2HG LYS 4 HG1 LYS 4 2.313 -12.800 9.590 30 1HD LYS 4 HD2 LYS 4 0.262 -13.478 10.792 31 2HD LYS 4 HD1 LYS 4 1.129 -14.875 11.433 32 1HE LYS 4 HE2 LYS 4 1.959 -12.008 11.858 33 2HE LYS 4 HE1 LYS 4 1.008 -12.950 13.006 34 1HZ LYS 4 HZ1 LYS 4 3.841 -13.131 12.348 35 2HZ LYS 4 HZ2 LYS 4 3.045 -14.590 12.661 36 3HZ LYS 4 HZ3 LYS 4 3.056 -13.367 13.829 37 H LEU 5 HN LEU 5 1.094 -13.709 5.408 38 HA LEU 5 HA LEU 5 3.088 -11.791 5.308 39 1HB LEU 5 HB2 LEU 5 1.888 -13.294 3.443 40 2HB LEU 5 HB1 LEU 5 1.064 -11.777 3.130 41 HG LEU 5 HG LEU 5 2.887 -11.815 1.642 42 1HD1 LEU 5 HD11 LEU 5 2.560 -9.714 2.989 43 2HD1 LEU 5 HD12 LEU 5 4.151 -9.909 2.257 44 3HD1 LEU 5 HD13 LEU 5 3.926 -10.230 3.978 45 1HD2 LEU 5 HD21 LEU 5 4.085 -13.467 3.555 46 2HD2 LEU 5 HD22 LEU 5 5.134 -12.055 3.430 47 3HD2 LEU 5 HD23 LEU 5 4.742 -12.993 1.989 48 H ASN 6 HN ASN 6 -0.296 -11.489 5.888 49 HA ASN 6 HA ASN 6 -0.734 -8.840 5.186 50 1HB ASN 6 HB2 ASN 6 -2.588 -8.908 6.837 51 2HB ASN 6 HB1 ASN 6 -2.592 -10.265 5.716 52 1HD2 ASN 6 HD21 ASN 6 -3.994 -10.475 8.003 53 2HD2 ASN 6 HD22 ASN 6 -3.227 -11.578 9.089 54 H ASP 7 HN ASP 7 0.532 -10.257 8.161 55 HA ASP 7 HA ASP 7 0.558 -8.075 9.833 56 1HB ASP 7 HB2 ASP 7 2.128 -9.204 11.119 57 2HB ASP 7 HB1 ASP 7 1.447 -10.522 10.173 58 H LEU 8 HN LEU 8 2.574 -8.755 7.081 59 HA LEU 8 HA LEU 8 4.312 -6.479 7.573 60 1HB LEU 8 HB2 LEU 8 5.310 -8.480 6.643 61 2HB LEU 8 HB1 LEU 8 4.168 -8.477 5.314 62 HG LEU 8 HG LEU 8 6.528 -7.684 4.808 63 1HD1 LEU 8 HD11 LEU 8 5.700 -6.614 3.033 64 2HD1 LEU 8 HD12 LEU 8 4.835 -5.438 4.021 65 3HD1 LEU 8 HD13 LEU 8 4.124 -7.022 3.713 66 1HD2 LEU 8 HD21 LEU 8 6.998 -6.319 6.697 67 2HD2 LEU 8 HD22 LEU 8 5.554 -5.343 6.430 68 3HD2 LEU 8 HD23 LEU 8 6.902 -5.253 5.296 69 H LEU 9 HN LEU 9 1.540 -7.353 5.636 70 HA LEU 9 HA LEU 9 1.703 -5.190 3.806 71 1HB LEU 9 HB2 LEU 9 0.096 -7.435 4.127 72 2HB LEU 9 HB1 LEU 9 -1.005 -6.093 4.361 73 HG LEU 9 HG LEU 9 0.669 -6.685 1.926 74 1HD1 LEU 9 HD11 LEU 9 -1.389 -7.962 2.111 75 2HD1 LEU 9 HD12 LEU 9 -1.508 -6.773 0.813 76 3HD1 LEU 9 HD13 LEU 9 -2.308 -6.476 2.357 77 1HD2 LEU 9 HD21 LEU 9 -0.229 -4.140 2.912 78 2HD2 LEU 9 HD22 LEU 9 -1.046 -4.531 1.400 79 3HD2 LEU 9 HD23 LEU 9 0.716 -4.513 1.470 80 H GLU 10 HN GLU 10 0.271 -5.623 6.979 81 HA GLU 10 HA GLU 10 -1.408 -3.436 7.141 82 1HB GLU 10 HB2 GLU 10 -0.033 -5.189 9.018 83 2HB GLU 10 HB1 GLU 10 -0.247 -3.566 9.658 84 1HG GLU 10 HG2 GLU 10 -2.608 -3.687 9.388 85 2HG GLU 10 HG1 GLU 10 -2.483 -5.195 8.482 86 H ASP 11 HN ASP 11 2.090 -3.569 7.702 87 HA ASP 11 HA ASP 11 2.576 -1.061 8.700 88 1HB ASP 11 HB2 ASP 11 4.141 -3.110 7.788 89 2HB ASP 11 HB1 ASP 11 4.473 -1.858 6.594 90 H LEU 12 HN LEU 12 2.053 -1.969 5.332 91 HA LEU 12 HA LEU 12 2.645 0.459 4.116 92 1HB LEU 12 HB2 LEU 12 2.308 -0.954 2.418 93 2HB LEU 12 HB1 LEU 12 1.330 -2.020 3.399 94 HG LEU 12 HG LEU 12 -0.023 0.438 2.447 95 1HD1 LEU 12 HD11 LEU 12 0.381 0.210 0.291 96 2HD1 LEU 12 HD12 LEU 12 -0.248 -1.436 0.344 97 3HD1 LEU 12 HD13 LEU 12 1.469 -1.139 0.616 98 1HD2 LEU 12 HD21 LEU 12 -0.677 -2.243 3.310 99 2HD2 LEU 12 HD22 LEU 12 -1.473 -1.841 1.790 100 3HD2 LEU 12 HD23 LEU 12 -1.702 -0.813 3.204 101 H GLN 13 HN GLN 13 -0.591 -0.781 4.940 102 HA GLN 13 HA GLN 13 -2.030 1.496 4.366 103 1HB GLN 13 HB2 GLN 13 -3.026 -0.698 4.950 104 2HB GLN 13 HB1 GLN 13 -2.584 -0.436 6.631 105 1HG GLN 13 HG2 GLN 13 -4.277 1.570 5.216 106 2HG GLN 13 HG1 GLN 13 -4.995 0.075 5.815 107 1HE2 GLN 13 HE21 GLN 13 -4.575 3.187 6.553 108 2HE2 GLN 13 HE22 GLN 13 -4.559 3.106 8.279 109 H GLU 14 HN GLU 14 -0.235 0.713 7.299 110 HA GLU 14 HA GLU 14 -1.128 3.040 8.729 111 1HB GLU 14 HB2 GLU 14 0.010 0.700 9.511 112 2HB GLU 14 HB1 GLU 14 1.415 1.758 9.530 113 1HG GLU 14 HG2 GLU 14 0.112 3.327 10.973 114 2HG GLU 14 HG1 GLU 14 -1.145 2.094 11.070 115 H VAL 15 HN VAL 15 1.445 2.243 6.543 116 HA VAL 15 HA VAL 15 3.110 4.453 7.158 117 HB VAL 15 HB VAL 15 3.550 2.251 5.732 118 1HG1 VAL 15 HG11 VAL 15 2.382 4.088 3.766 119 2HG1 VAL 15 HG12 VAL 15 2.600 2.344 3.706 120 3HG1 VAL 15 HG13 VAL 15 3.940 3.411 3.309 121 1HG2 VAL 15 HG21 VAL 15 5.159 3.931 6.597 122 2HG2 VAL 15 HG22 VAL 15 4.949 4.834 5.094 123 3HG2 VAL 15 HG23 VAL 15 5.617 3.196 5.061 124 H LEU 16 HN LEU 16 0.312 3.980 5.139 125 HA LEU 16 HA LEU 16 0.512 6.269 3.534 126 1HB LEU 16 HB2 LEU 16 -1.776 4.582 4.479 127 2HB LEU 16 HB1 LEU 16 -2.098 6.073 3.617 128 HG LEU 16 HG LEU 16 -2.179 4.328 2.014 129 1HD1 LEU 16 HD11 LEU 16 0.574 5.503 1.723 130 2HD1 LEU 16 HD12 LEU 16 -0.911 6.398 1.399 131 3HD1 LEU 16 HD13 LEU 16 -0.517 4.968 0.445 132 1HD2 LEU 16 HD21 LEU 16 -0.962 2.671 3.405 133 2HD2 LEU 16 HD22 LEU 16 0.549 3.438 2.921 134 3HD2 LEU 16 HD23 LEU 16 -0.480 2.671 1.710 135 H LYS 17 HN LYS 17 -0.723 5.777 6.797 136 HA LYS 17 HA LYS 17 -2.111 8.039 7.357 137 1HB LYS 17 HB2 LYS 17 -1.638 6.286 9.014 138 2HB LYS 17 HB1 LYS 17 0.034 6.822 9.108 139 1HG LYS 17 HG2 LYS 17 -1.195 9.129 9.683 140 2HG LYS 17 HG1 LYS 17 -2.405 7.993 10.283 141 1HD LYS 17 HD2 LYS 17 -0.858 8.594 12.057 142 2HD LYS 17 HD1 LYS 17 -0.675 6.889 11.636 143 1HE LYS 17 HE2 LYS 17 1.407 7.182 10.786 144 2HE LYS 17 HE1 LYS 17 1.051 8.802 10.188 145 1HZ LYS 17 HZ1 LYS 17 2.374 9.387 11.894 146 2HZ LYS 17 HZ2 LYS 17 2.094 7.965 12.767 147 3HZ LYS 17 HZ3 LYS 17 0.960 9.219 12.809 148 H ASN 18 HN ASN 18 1.392 7.741 7.129 149 HA ASN 18 HA ASN 18 1.951 10.465 7.813 150 1HB ASN 18 HB2 ASN 18 3.462 8.103 6.969 151 2HB ASN 18 HB1 ASN 18 4.093 9.592 6.272 152 1HD2 ASN 18 HD21 ASN 18 3.059 8.173 9.345 153 2HD2 ASN 18 HD22 ASN 18 4.212 9.011 10.320 154 H LEU 19 HN LEU 19 1.635 8.653 4.820 155 HA LEU 19 HA LEU 19 2.347 10.520 2.942 156 1HB LEU 19 HB2 LEU 19 1.902 8.648 1.816 157 2HB LEU 19 HB1 LEU 19 0.816 8.071 3.055 158 HG LEU 19 HG LEU 19 -0.208 10.135 1.168 159 1HD1 LEU 19 HD11 LEU 19 -0.925 7.949 -0.167 160 2HD1 LEU 19 HD12 LEU 19 0.637 7.394 0.437 161 3HD1 LEU 19 HD13 LEU 19 0.539 8.848 -0.545 162 1HD2 LEU 19 HD21 LEU 19 -1.883 9.605 2.595 163 2HD2 LEU 19 HD22 LEU 19 -1.257 7.985 2.904 164 3HD2 LEU 19 HD23 LEU 19 -2.131 8.322 1.413 165 H HIS 20 HN HIS 20 -0.814 10.140 4.506 166 HA HIS 20 HA HIS 20 -2.340 11.908 3.069 167 1HB HIS 20 HB2 HIS 20 -2.335 11.401 6.048 168 2HB HIS 20 HB1 HIS 20 -3.580 12.330 5.227 169 HD1 HIS 20 HD1 HIS 20 -5.398 11.030 4.017 170 HD2 HIS 20 HD2 HIS 20 -2.381 8.613 5.526 171 HE1 HIS 20 HE1 HIS 20 -6.274 8.680 3.852 172 HE2 HIS 20 HE2 HIS 20 -4.457 7.241 4.836 173 H LYS 21 HN LYS 21 0.151 12.664 5.409 174 HA LYS 21 HA LYS 21 -0.569 15.486 5.404 175 1HB LYS 21 HB2 LYS 21 1.749 14.241 6.856 176 2HB LYS 21 HB1 LYS 21 0.901 15.737 7.231 177 1HG LYS 21 HG2 LYS 21 -0.302 12.987 7.411 178 2HG LYS 21 HG1 LYS 21 0.363 13.892 8.773 179 1HD LYS 21 HD2 LYS 21 -1.868 14.432 8.953 180 2HD LYS 21 HD1 LYS 21 -1.289 15.756 7.941 181 1HE LYS 21 HE2 LYS 21 -2.333 14.953 6.055 182 2HE LYS 21 HE1 LYS 21 -2.260 13.282 6.608 183 1HZ LYS 21 HZ1 LYS 21 -4.437 13.636 6.974 184 2HZ LYS 21 HZ2 LYS 21 -4.271 15.313 7.119 185 3HZ LYS 21 HZ3 LYS 21 -3.890 14.309 8.427 186 H ASN 22 HN ASN 22 1.470 13.503 3.572 187 HA ASN 22 HA ASN 22 3.035 15.876 2.802 188 1HB ASN 22 HB2 ASN 22 3.962 13.058 3.237 189 2HB ASN 22 HB1 ASN 22 4.851 14.148 2.180 190 1HD2 ASN 22 HD21 ASN 22 6.498 15.062 3.143 191 2HD2 ASN 22 HD22 ASN 22 6.582 15.536 4.802 192 H TRP 23 HN TRP 23 0.665 13.918 1.741 193 HA TRP 23 HA TRP 23 1.680 13.338 -0.879 194 1HB TRP 23 HB2 TRP 23 -0.129 12.031 -1.082 195 2HB TRP 23 HB1 TRP 23 -0.396 12.358 0.622 196 HD1 TRP 23 HD1 TRP 23 -2.692 13.269 1.178 197 HE1 TRP 23 HE1 TRP 23 -4.610 14.371 -0.099 198 HE3 TRP 23 HE3 TRP 23 -0.431 13.652 -3.330 199 HZ2 TRP 23 HZ2 TRP 23 -5.103 15.271 -2.762 200 HZ3 TRP 23 HZ3 TRP 23 -1.667 14.602 -5.199 201 HH2 TRP 23 HH2 TRP 23 -3.961 15.413 -4.936 202 H HIS 24 HN HIS 24 -0.776 15.622 0.354 203 HA HIS 24 HA HIS 24 0.079 17.787 -1.166 204 1HB HIS 24 HB2 HIS 24 -0.706 16.311 -3.067 205 2HB HIS 24 HB1 HIS 24 -2.337 16.505 -2.438 206 HD1 HIS 24 HD1 HIS 24 -1.877 17.506 -5.217 207 HD2 HIS 24 HD2 HIS 24 -1.232 19.867 -1.859 208 HE1 HIS 24 HE1 HIS 24 -2.029 19.883 -6.027 209 HE2 HIS 24 HE2 HIS 24 -1.536 21.291 -3.997 210 H GLY 25 HN GLY 25 -0.576 17.858 1.320 211 1HA GLY 25 HA2 GLY 25 -1.911 19.705 2.281 212 2HA GLY 25 HA1 GLY 25 -3.284 19.044 1.407 213 H GLY 26 HN GLY 26 -4.574 17.622 2.434 214 1HA GLY 26 HA2 GLY 26 -3.538 16.428 4.919 215 2HA GLY 26 HA1 GLY 26 -5.160 17.097 4.798 216 H LYS 27 HN LYS 27 -6.211 15.229 5.266 217 HA LYS 27 HA LYS 27 -5.740 12.877 3.611 218 1HB LYS 27 HB2 LYS 27 -5.925 12.445 5.967 219 2HB LYS 27 HB1 LYS 27 -7.452 13.312 6.057 220 1HG LYS 27 HG2 LYS 27 -8.646 11.570 5.269 221 2HG LYS 27 HG1 LYS 27 -7.364 11.043 4.178 222 1HD LYS 27 HD2 LYS 27 -7.460 9.339 5.766 223 2HD LYS 27 HD1 LYS 27 -6.121 10.345 6.325 224 1HE LYS 27 HE2 LYS 27 -7.413 9.858 8.241 225 2HE LYS 27 HE1 LYS 27 -7.794 11.523 7.807 226 1HZ LYS 27 HZ1 LYS 27 -9.661 9.769 8.347 227 2HZ LYS 27 HZ2 LYS 27 -9.489 9.413 6.702 228 3HZ LYS 27 HZ3 LYS 27 -9.896 10.981 7.189 229 H ASP 28 HN ASP 28 -7.763 15.579 3.599 230 HA ASP 28 HA ASP 28 -10.234 14.640 2.861 231 1HB ASP 28 HB2 ASP 28 -10.280 16.778 1.355 232 2HB ASP 28 HB1 ASP 28 -10.172 16.942 3.104 233 H ASN 29 HN ASN 29 -7.791 15.658 0.450 234 HA ASN 29 HA ASN 29 -9.193 14.280 -1.633 235 1HB ASN 29 HB2 ASN 29 -6.579 15.759 -1.497 236 2HB ASN 29 HB1 ASN 29 -7.035 14.854 -2.937 237 1HD2 ASN 29 HD21 ASN 29 -7.659 17.629 -0.977 238 2HD2 ASN 29 HD22 ASN 29 -8.746 18.416 -2.066 239 H LEU 30 HN LEU 30 -6.648 13.461 0.575 240 HA LEU 30 HA LEU 30 -5.613 11.272 -0.945 241 1HB LEU 30 HB2 LEU 30 -4.500 12.549 1.002 242 2HB LEU 30 HB1 LEU 30 -5.450 11.522 2.043 243 HG LEU 30 HG LEU 30 -3.095 10.762 1.698 244 1HD1 LEU 30 HD11 LEU 30 -4.412 8.466 0.623 245 2HD1 LEU 30 HD12 LEU 30 -5.474 9.285 1.766 246 3HD1 LEU 30 HD13 LEU 30 -3.868 8.775 2.269 247 1HD2 LEU 30 HD21 LEU 30 -2.598 9.540 -0.412 248 2HD2 LEU 30 HD22 LEU 30 -2.736 11.284 -0.618 249 3HD2 LEU 30 HD23 LEU 30 -4.062 10.239 -1.108 250 H HIS 31 HN HIS 31 -8.239 11.744 1.300 251 HA HIS 31 HA HIS 31 -8.745 9.214 2.226 252 1HB HIS 31 HB2 HIS 31 -10.063 11.423 2.582 253 2HB HIS 31 HB1 HIS 31 -10.996 10.913 1.180 254 HD1 HIS 31 HD1 HIS 31 -9.997 9.511 4.575 255 HD2 HIS 31 HD2 HIS 31 -13.098 9.331 1.814 256 HE1 HIS 31 HE1 HIS 31 -11.782 8.108 5.657 257 HE2 HIS 31 HE2 HIS 31 -13.618 7.954 3.941 258 H ASP 32 HN ASP 32 -9.874 10.590 -0.860 259 HA ASP 32 HA ASP 32 -11.082 8.203 -1.774 260 1HB ASP 32 HB2 ASP 32 -10.755 10.859 -2.722 261 2HB ASP 32 HB1 ASP 32 -10.175 9.781 -3.988 262 H VAL 33 HN VAL 33 -7.819 9.255 -1.654 263 HA VAL 33 HA VAL 33 -6.898 7.392 -3.669 264 HB VAL 33 HB VAL 33 -5.738 9.617 -2.144 265 1HG1 VAL 33 HG11 VAL 33 -4.218 7.996 -1.278 266 2HG1 VAL 33 HG12 VAL 33 -3.396 8.840 -2.593 267 3HG1 VAL 33 HG13 VAL 33 -4.058 7.226 -2.857 268 1HG2 VAL 33 HG21 VAL 33 -4.596 9.993 -4.264 269 2HG2 VAL 33 HG22 VAL 33 -6.331 9.760 -4.491 270 3HG2 VAL 33 HG23 VAL 33 -5.208 8.448 -4.858 271 H ASP 34 HN ASP 34 -6.114 7.849 -0.187 272 HA ASP 34 HA ASP 34 -4.931 5.319 0.089 273 1HB ASP 34 HB2 ASP 34 -4.374 6.718 1.846 274 2HB ASP 34 HB1 ASP 34 -6.019 7.330 2.020 275 H ASN 35 HN ASN 35 -8.256 6.320 -0.030 276 HA ASN 35 HA ASN 35 -9.490 4.158 1.261 277 1HB ASN 35 HB2 ASN 35 -10.294 6.117 -0.824 278 2HB ASN 35 HB1 ASN 35 -11.221 4.622 -0.780 279 1HD2 ASN 35 HD21 ASN 35 -11.321 4.062 1.875 280 2HD2 ASN 35 HD22 ASN 35 -12.191 5.299 2.710 281 H HIS 36 HN HIS 36 -8.169 4.588 -1.953 282 HA HIS 36 HA HIS 36 -8.935 2.076 -3.020 283 1HB HIS 36 HB2 HIS 36 -7.440 4.361 -3.879 284 2HB HIS 36 HB1 HIS 36 -6.440 2.934 -4.139 285 HD1 HIS 36 HD1 HIS 36 -9.060 1.117 -4.772 286 HD2 HIS 36 HD2 HIS 36 -7.900 4.648 -6.629 287 HE1 HIS 36 HE1 HIS 36 -10.150 1.074 -7.038 288 HE2 HIS 36 HE2 HIS 36 -9.367 3.182 -8.175 289 H LEU 37 HN LEU 37 -6.056 3.330 -1.406 290 HA LEU 37 HA LEU 37 -4.434 1.072 -1.442 291 1HB LEU 37 HB2 LEU 37 -3.995 3.454 -0.520 292 2HB LEU 37 HB1 LEU 37 -4.651 2.837 0.978 293 HG LEU 37 HG LEU 37 -2.461 2.471 1.391 294 1HD1 LEU 37 HD11 LEU 37 -3.491 0.261 1.418 295 2HD1 LEU 37 HD12 LEU 37 -1.796 0.176 0.945 296 3HD1 LEU 37 HD13 LEU 37 -3.058 0.036 -0.277 297 1HD2 LEU 37 HD21 LEU 37 -1.518 3.471 -0.523 298 2HD2 LEU 37 HD22 LEU 37 -2.114 2.190 -1.579 299 3HD2 LEU 37 HD23 LEU 37 -0.816 1.856 -0.433 300 H GLN 38 HN GLN 38 -6.299 2.088 1.418 301 HA GLN 38 HA GLN 38 -6.132 -0.202 2.895 302 1HB GLN 38 HB2 GLN 38 -7.737 2.154 2.921 303 2HB GLN 38 HB1 GLN 38 -8.794 0.779 3.212 304 1HG GLN 38 HG2 GLN 38 -7.400 0.070 5.065 305 2HG GLN 38 HG1 GLN 38 -6.285 1.400 4.754 306 1HE2 GLN 38 HE21 GLN 38 -9.076 0.406 6.369 307 2HE2 GLN 38 HE22 GLN 38 -9.562 1.941 6.994 308 H ASN 39 HN ASN 39 -8.505 0.514 0.359 309 HA ASN 39 HA ASN 39 -10.116 -1.741 0.622 310 1HB ASN 39 HB2 ASN 39 -9.577 0.250 -1.458 311 2HB ASN 39 HB1 ASN 39 -10.031 -1.321 -2.112 312 1HD2 ASN 39 HD21 ASN 39 -12.026 -0.775 -2.833 313 2HD2 ASN 39 HD22 ASN 39 -13.332 -0.316 -1.799 314 H VAL 40 HN VAL 40 -6.910 -1.398 -0.619 315 HA VAL 40 HA VAL 40 -6.820 -3.865 -2.064 316 HB VAL 40 HB VAL 40 -4.496 -2.293 -0.940 317 1HG1 VAL 40 HG11 VAL 40 -3.287 -3.965 -1.763 318 2HG1 VAL 40 HG12 VAL 40 -3.808 -3.468 -3.373 319 3HG1 VAL 40 HG13 VAL 40 -4.705 -4.708 -2.500 320 1HG2 VAL 40 HG21 VAL 40 -5.271 -0.653 -2.269 321 2HG2 VAL 40 HG22 VAL 40 -6.287 -1.748 -3.208 322 3HG2 VAL 40 HG23 VAL 40 -4.563 -1.627 -3.557 323 H ILE 41 HN ILE 41 -5.335 -2.792 0.993 324 HA ILE 41 HA ILE 41 -4.217 -5.106 1.867 325 HB ILE 41 HB ILE 41 -4.196 -2.860 3.007 326 1HG1 ILE 41 HG12 ILE 41 -4.486 -4.331 5.364 327 2HG1 ILE 41 HG11 ILE 41 -4.050 -5.519 4.140 328 1HG2 ILE 41 HG21 ILE 41 -6.014 -3.129 5.034 329 2HG2 ILE 41 HG22 ILE 41 -6.937 -3.618 3.620 330 3HG2 ILE 41 HG23 ILE 41 -6.158 -2.043 3.655 331 1HD1 ILE 41 HD11 ILE 41 -2.010 -4.498 3.704 332 2HD1 ILE 41 HD12 ILE 41 -2.178 -4.377 5.456 333 3HD1 ILE 41 HD13 ILE 41 -2.509 -2.974 4.439 334 H GLU 42 HN GLU 42 -7.627 -4.292 1.944 335 HA GLU 42 HA GLU 42 -8.363 -6.583 3.505 336 1HB GLU 42 HB2 GLU 42 -10.652 -5.935 3.083 337 2HB GLU 42 HB1 GLU 42 -9.715 -4.496 3.460 338 1HG GLU 42 HG2 GLU 42 -9.851 -3.675 1.327 339 2HG GLU 42 HG1 GLU 42 -10.090 -5.268 0.611 340 H ASP 43 HN ASP 43 -7.991 -5.884 0.128 341 HA ASP 43 HA ASP 43 -9.287 -8.342 -0.672 342 1HB ASP 43 HB2 ASP 43 -8.128 -5.987 -2.052 343 2HB ASP 43 HB1 ASP 43 -8.034 -7.515 -2.921 344 H ILE 44 HN ILE 44 -6.104 -7.165 0.043 345 HA ILE 44 HA ILE 44 -4.805 -9.467 -1.134 346 HB ILE 44 HB ILE 44 -3.528 -7.361 0.600 347 1HG1 ILE 44 HG12 ILE 44 -4.657 -6.290 -1.304 348 2HG1 ILE 44 HG11 ILE 44 -2.909 -6.210 -1.479 349 1HG2 ILE 44 HG21 ILE 44 -2.567 -9.625 -1.028 350 2HG2 ILE 44 HG22 ILE 44 -1.880 -8.894 0.424 351 3HG2 ILE 44 HG23 ILE 44 -1.639 -8.129 -1.147 352 1HD1 ILE 44 HD11 ILE 44 -3.234 -8.368 -2.891 353 2HD1 ILE 44 HD12 ILE 44 -3.576 -6.787 -3.594 354 3HD1 ILE 44 HD13 ILE 44 -4.899 -7.802 -3.018 355 H HIS 45 HN HIS 45 -5.275 -8.131 2.130 356 HA HIS 45 HA HIS 45 -4.013 -10.303 3.443 357 1HB HIS 45 HB2 HIS 45 -4.398 -9.153 5.374 358 2HB HIS 45 HB1 HIS 45 -4.702 -7.838 4.247 359 HD1 HIS 45 HD1 HIS 45 -6.014 -8.696 7.217 360 HD2 HIS 45 HD2 HIS 45 -7.778 -8.459 3.464 361 HE1 HIS 45 HE1 HIS 45 -8.475 -8.402 7.651 362 HE2 HIS 45 HE2 HIS 45 -9.510 -8.160 5.367 363 H ASP 46 HN ASP 46 -7.244 -9.794 2.253 364 HA ASP 46 HA ASP 46 -8.334 -11.997 3.800 365 1HB ASP 46 HB2 ASP 46 -9.655 -9.921 3.198 366 2HB ASP 46 HB1 ASP 46 -9.666 -10.504 1.536 367 H PHE 47 HN PHE 47 -7.456 -11.255 0.473 368 HA PHE 47 HA PHE 47 -8.263 -13.806 -0.553 369 1HB PHE 47 HB2 PHE 47 -6.537 -11.605 -1.669 370 2HB PHE 47 HB1 PHE 47 -6.789 -13.114 -2.530 371 HD1 PHE 47 HD1 PHE 47 -8.005 -12.438 -4.397 372 HD2 PHE 47 HD2 PHE 47 -9.271 -11.212 -0.523 373 HE1 PHE 47 HE1 PHE 47 -10.089 -11.558 -5.359 374 HE2 PHE 47 HE2 PHE 47 -11.357 -10.332 -1.479 375 HZ PHE 47 HZ PHE 47 -11.769 -10.504 -3.900 376 H MET 48 HN MET 48 -5.448 -12.614 1.043 377 HA MET 48 HA MET 48 -3.444 -14.314 0.158 378 1HB MET 48 HB2 MET 48 -3.830 -12.497 2.291 379 2HB MET 48 HB1 MET 48 -3.258 -13.995 3.010 380 1HG MET 48 HG2 MET 48 -1.197 -13.483 2.422 381 2HG MET 48 HG1 MET 48 -1.677 -13.514 0.726 382 1HE MET 48 HE1 MET 48 -1.215 -11.807 3.871 383 2HE MET 48 HE2 MET 48 -2.054 -10.268 3.676 384 3HE MET 48 HE3 MET 48 -0.322 -10.372 3.365 385 H GLN 49 HN GLN 49 -6.076 -14.922 2.398 386 HA GLN 49 HA GLN 49 -5.087 -17.436 3.318 387 1HB GLN 49 HB2 GLN 49 -7.451 -15.768 3.750 388 2HB GLN 49 HB1 GLN 49 -7.807 -17.489 3.772 389 1HG GLN 49 HG2 GLN 49 -6.123 -17.831 5.494 390 2HG GLN 49 HG1 GLN 49 -5.726 -16.112 5.457 391 1HE2 GLN 49 HE21 GLN 49 -6.604 -14.982 7.020 392 2HE2 GLN 49 HE22 GLN 49 -8.101 -15.320 7.814 393 H GLY 50 HN GLY 50 -6.845 -16.416 0.526 394 1HA GLY 50 HA2 GLY 50 -6.578 -18.451 -1.117 395 2HA GLY 50 HA1 GLY 50 -7.766 -19.141 -0.022 396 H GLY 51 HN GLY 51 -8.692 -16.101 0.138 397 1HA GLY 51 HA2 GLY 51 -11.008 -16.318 -1.317 398 2HA GLY 51 HA1 GLY 51 -10.249 -14.782 -0.925 399 H GLY 52 HN GLY 52 -7.832 -15.561 -2.519 400 1HA GLY 52 HA2 GLY 52 -8.101 -16.199 -5.099 401 2HA GLY 52 HA1 GLY 52 -8.849 -14.608 -5.070 402 H SER 53 HN SER 53 -6.020 -15.834 -3.311 403 HA SER 53 HA SER 53 -4.504 -13.513 -3.661 404 1HB SER 53 HB2 SER 53 -4.192 -15.553 -2.041 405 2HB SER 53 HB1 SER 53 -3.173 -16.180 -3.338 406 HG SER 53 HG SER 53 -2.099 -14.868 -1.686 407 H GLY 54 HN GLY 54 -4.908 -16.315 -5.698 408 1HA GLY 54 HA2 GLY 54 -2.691 -15.532 -7.425 409 2HA GLY 54 HA1 GLY 54 -3.703 -16.957 -7.611 410 H GLY 55 HN GLY 55 -3.829 -13.409 -7.835 411 1HA GLY 55 HA2 GLY 55 -4.558 -12.959 -10.339 412 2HA GLY 55 HA1 GLY 55 -6.065 -13.601 -9.703 413 H LYS 56 HN LYS 56 -5.264 -12.301 -7.038 414 HA LYS 56 HA LYS 56 -6.548 -9.758 -7.613 415 1HB LYS 56 HB2 LYS 56 -6.693 -9.535 -5.157 416 2HB LYS 56 HB1 LYS 56 -7.400 -11.036 -5.736 417 1HG LYS 56 HG2 LYS 56 -6.221 -11.914 -4.033 418 2HG LYS 56 HG1 LYS 56 -4.909 -11.889 -5.208 419 1HD LYS 56 HD2 LYS 56 -4.501 -9.486 -4.286 420 2HD LYS 56 HD1 LYS 56 -5.427 -10.065 -2.899 421 1HE LYS 56 HE2 LYS 56 -3.175 -11.716 -3.950 422 2HE LYS 56 HE1 LYS 56 -2.816 -10.303 -2.959 423 1HZ LYS 56 HZ1 LYS 56 -4.750 -12.349 -2.066 424 2HZ LYS 56 HZ2 LYS 56 -3.910 -11.214 -1.135 425 3HZ LYS 56 HZ3 LYS 56 -3.090 -12.537 -1.798 426 H LEU 57 HN LEU 57 -3.540 -10.914 -6.130 427 HA LEU 57 HA LEU 57 -2.497 -8.395 -5.503 428 1HB LEU 57 HB2 LEU 57 -1.698 -10.662 -4.722 429 2HB LEU 57 HB1 LEU 57 -0.853 -10.794 -6.250 430 HG LEU 57 HG LEU 57 0.148 -8.458 -5.493 431 1HD1 LEU 57 HD11 LEU 57 0.092 -9.678 -2.807 432 2HD1 LEU 57 HD12 LEU 57 -1.385 -8.875 -3.337 433 3HD1 LEU 57 HD13 LEU 57 0.133 -7.981 -3.287 434 1HD2 LEU 57 HD21 LEU 57 1.579 -10.251 -6.004 435 2HD2 LEU 57 HD22 LEU 57 0.989 -11.215 -4.650 436 3HD2 LEU 57 HD23 LEU 57 1.986 -9.791 -4.351 437 H GLN 58 HN GLN 58 -3.010 -9.715 -8.586 438 HA GLN 58 HA GLN 58 -0.754 -8.353 -9.785 439 1HB GLN 58 HB2 GLN 58 -1.642 -9.181 -11.931 440 2HB GLN 58 HB1 GLN 58 -1.425 -10.473 -10.759 441 1HG GLN 58 HG2 GLN 58 -3.469 -11.048 -11.515 442 2HG GLN 58 HG1 GLN 58 -3.969 -9.917 -10.263 443 1HE2 GLN 58 HE21 GLN 58 -5.643 -10.505 -12.330 444 2HE2 GLN 58 HE22 GLN 58 -5.803 -9.133 -13.368 445 H GLU 59 HN GLU 59 -4.301 -8.066 -9.917 446 HA GLU 59 HA GLU 59 -4.075 -5.498 -11.250 447 1HB GLU 59 HB2 GLU 59 -5.859 -7.044 -11.926 448 2HB GLU 59 HB1 GLU 59 -6.509 -7.018 -10.292 449 1HG GLU 59 HG2 GLU 59 -7.818 -5.599 -11.731 450 2HG GLU 59 HG1 GLU 59 -6.977 -4.625 -10.527 451 H MET 60 HN MET 60 -4.709 -6.805 -8.088 452 HA MET 60 HA MET 60 -5.662 -4.348 -6.962 453 1HB MET 60 HB2 MET 60 -6.068 -6.785 -6.146 454 2HB MET 60 HB1 MET 60 -4.514 -6.603 -5.346 455 1HG MET 60 HG2 MET 60 -5.829 -5.915 -3.654 456 2HG MET 60 HG1 MET 60 -5.673 -4.369 -4.488 457 1HE MET 60 HE1 MET 60 -7.853 -4.661 -7.046 458 2HE MET 60 HE2 MET 60 -7.249 -3.368 -6.008 459 3HE MET 60 HE3 MET 60 -8.981 -3.693 -6.095 460 H MET 61 HN MET 61 -2.554 -5.897 -7.401 461 HA MET 61 HA MET 61 -1.049 -4.543 -5.481 462 1HB MET 61 HB2 MET 61 0.167 -6.194 -6.532 463 2HB MET 61 HB1 MET 61 -0.427 -5.770 -8.130 464 1HG MET 61 HG2 MET 61 1.288 -3.765 -6.820 465 2HG MET 61 HG1 MET 61 2.067 -5.282 -7.264 466 1HE MET 61 HE1 MET 61 2.795 -5.945 -9.404 467 2HE MET 61 HE2 MET 61 2.327 -5.290 -10.973 468 3HE MET 61 HE3 MET 61 1.186 -6.268 -10.050 469 H LYS 62 HN LYS 62 -1.914 -3.559 -8.780 470 HA LYS 62 HA LYS 62 -0.473 -1.123 -8.740 471 1HB LYS 62 HB2 LYS 62 -1.358 -2.336 -10.780 472 2HB LYS 62 HB1 LYS 62 -2.945 -1.697 -10.372 473 1HG LYS 62 HG2 LYS 62 -1.207 0.500 -10.343 474 2HG LYS 62 HG1 LYS 62 -0.780 -0.442 -11.772 475 1HD LYS 62 HD2 LYS 62 -3.664 -0.144 -11.367 476 2HD LYS 62 HD1 LYS 62 -2.818 1.384 -11.620 477 1HE LYS 62 HE2 LYS 62 -3.590 0.450 -13.736 478 2HE LYS 62 HE1 LYS 62 -1.829 0.501 -13.671 479 1HZ LYS 62 HZ1 LYS 62 -2.278 -1.940 -12.731 480 2HZ LYS 62 HZ2 LYS 62 -2.052 -1.611 -14.375 481 3HZ LYS 62 HZ3 LYS 62 -3.616 -1.787 -13.757 482 H GLU 63 HN GLU 63 -3.293 -2.061 -7.116 483 HA GLU 63 HA GLU 63 -4.511 0.553 -7.062 484 1HB GLU 63 HB2 GLU 63 -5.838 -1.553 -6.977 485 2HB GLU 63 HB1 GLU 63 -5.162 -1.875 -5.387 486 1HG GLU 63 HG2 GLU 63 -6.260 -0.012 -4.439 487 2HG GLU 63 HG1 GLU 63 -6.690 0.629 -6.023 488 H PHE 64 HN PHE 64 -2.210 -1.215 -5.144 489 HA PHE 64 HA PHE 64 -2.551 0.539 -2.860 490 1HB PHE 64 HB2 PHE 64 -1.041 -0.862 -1.699 491 2HB PHE 64 HB1 PHE 64 -1.990 -1.953 -2.699 492 HD1 PHE 64 HD1 PHE 64 1.220 -0.033 -2.845 493 HD2 PHE 64 HD2 PHE 64 -0.907 -3.578 -3.847 494 HE1 PHE 64 HE1 PHE 64 3.278 -0.999 -3.783 495 HE2 PHE 64 HE2 PHE 64 1.147 -4.549 -4.789 496 HZ PHE 64 HZ PHE 64 3.242 -3.259 -4.759 497 H GLN 65 HN GLN 65 -0.349 0.056 -5.531 498 HA GLN 65 HA GLN 65 1.567 1.984 -4.595 499 1HB GLN 65 HB2 GLN 65 2.680 1.624 -6.732 500 2HB GLN 65 HB1 GLN 65 2.249 0.084 -6.001 501 1HG GLN 65 HG2 GLN 65 1.163 -0.499 -7.828 502 2HG GLN 65 HG1 GLN 65 0.100 0.898 -7.663 503 1HE2 GLN 65 HE21 GLN 65 0.421 2.673 -8.933 504 2HE2 GLN 65 HE22 GLN 65 1.564 2.726 -10.227 505 H GLN 66 HN GLN 66 -1.231 1.979 -6.696 506 HA GLN 66 HA GLN 66 -0.787 4.370 -8.083 507 1HB GLN 66 HB2 GLN 66 -2.571 2.825 -8.701 508 2HB GLN 66 HB1 GLN 66 -3.398 3.134 -7.182 509 1HG GLN 66 HG2 GLN 66 -3.034 5.642 -8.354 510 2HG GLN 66 HG1 GLN 66 -3.524 4.571 -9.666 511 1HE2 GLN 66 HE21 GLN 66 -4.594 6.526 -7.214 512 2HE2 GLN 66 HE22 GLN 66 -6.216 5.947 -7.085 513 H VAL 67 HN VAL 67 -2.018 3.741 -4.869 514 HA VAL 67 HA VAL 67 -3.075 6.251 -4.237 515 HB VAL 67 HB VAL 67 -1.694 4.221 -2.466 516 1HG1 VAL 67 HG11 VAL 67 -2.143 5.418 -0.622 517 2HG1 VAL 67 HG12 VAL 67 -3.686 5.992 -1.250 518 3HG1 VAL 67 HG13 VAL 67 -2.191 6.792 -1.726 519 1HG2 VAL 67 HG21 VAL 67 -4.166 4.176 -3.826 520 2HG2 VAL 67 HG22 VAL 67 -4.518 4.377 -2.111 521 3HG2 VAL 67 HG23 VAL 67 -3.543 3.015 -2.655 522 H LEU 68 HN LEU 68 0.218 4.998 -3.956 523 HA LEU 68 HA LEU 68 1.328 7.374 -2.822 524 1HB LEU 68 HB2 LEU 68 2.317 4.796 -3.863 525 2HB LEU 68 HB1 LEU 68 3.450 6.136 -3.926 526 HG LEU 68 HG LEU 68 2.557 6.413 -1.395 527 1HD1 LEU 68 HD11 LEU 68 1.450 4.637 -0.659 528 2HD1 LEU 68 HD12 LEU 68 2.899 3.669 -0.931 529 3HD1 LEU 68 HD13 LEU 68 1.682 3.803 -2.198 530 1HD2 LEU 68 HD21 LEU 68 4.628 4.524 -1.210 531 2HD2 LEU 68 HD22 LEU 68 4.770 6.280 -1.212 532 3HD2 LEU 68 HD23 LEU 68 4.892 5.386 -2.726 533 H ASP 69 HN ASP 69 0.168 6.668 -5.905 534 HA ASP 69 HA ASP 69 2.041 8.125 -7.488 535 1HB ASP 69 HB2 ASP 69 0.320 6.374 -8.278 536 2HB ASP 69 HB1 ASP 69 -0.854 7.684 -8.206 537 H GLU 70 HN GLU 70 -1.291 8.869 -6.415 538 HA GLU 70 HA GLU 70 -1.384 11.550 -7.191 539 1HB GLU 70 HB2 GLU 70 -3.160 9.931 -6.018 540 2HB GLU 70 HB1 GLU 70 -2.582 10.739 -4.563 541 1HG GLU 70 HG2 GLU 70 -4.643 11.701 -5.611 542 2HG GLU 70 HG1 GLU 70 -3.334 12.835 -5.305 543 H LEU 71 HN LEU 71 -0.090 9.972 -4.405 544 HA LEU 71 HA LEU 71 0.565 12.248 -2.866 545 1HB LEU 71 HB2 LEU 71 0.250 10.265 -1.724 546 2HB LEU 71 HB1 LEU 71 1.194 9.340 -2.866 547 HG LEU 71 HG LEU 71 3.084 11.010 -1.773 548 1HD1 LEU 71 HD11 LEU 71 0.841 10.814 0.043 549 2HD1 LEU 71 HD12 LEU 71 2.282 11.822 0.141 550 3HD1 LEU 71 HD13 LEU 71 2.319 10.163 0.746 551 1HD2 LEU 71 HD21 LEU 71 3.621 8.783 -2.119 552 2HD2 LEU 71 HD22 LEU 71 2.194 8.205 -1.264 553 3HD2 LEU 71 HD23 LEU 71 3.543 8.887 -0.360 554 H ASN 72 HN ASN 72 2.811 9.902 -4.328 555 HA ASN 72 HA ASN 72 5.126 11.346 -4.078 556 1HB ASN 72 HB2 ASN 72 4.759 8.942 -4.935 557 2HB ASN 72 HB1 ASN 72 4.607 9.680 -6.527 558 1HD2 ASN 72 HD21 ASN 72 6.400 9.662 -7.650 559 2HD2 ASN 72 HD22 ASN 72 8.005 9.745 -7.020 560 H ASN 73 HN ASN 73 2.557 11.876 -6.350 561 HA ASN 73 HA ASN 73 4.165 13.547 -8.078 562 1HB ASN 73 HB2 ASN 73 2.148 12.060 -8.751 563 2HB ASN 73 HB1 ASN 73 1.169 13.402 -8.167 564 1HD2 ASN 73 HD21 ASN 73 0.366 13.726 -10.260 565 2HD2 ASN 73 HD22 ASN 73 1.314 14.499 -11.481 566 H HIS 74 HN HIS 74 3.050 14.089 -5.073 567 HA HIS 74 HA HIS 74 2.976 16.966 -5.509 568 1HB HIS 74 HB2 HIS 74 0.638 15.393 -4.470 569 2HB HIS 74 HB1 HIS 74 0.884 17.070 -3.996 570 HD1 HIS 74 HD1 HIS 74 0.962 18.819 -6.061 571 HD2 HIS 74 HD2 HIS 74 -0.631 15.065 -6.857 572 HE1 HIS 74 HE1 HIS 74 -0.338 19.080 -8.199 573 HE2 HIS 74 HE2 HIS 74 -1.220 16.775 -8.706 574 H LEU 75 HN LEU 75 4.819 15.140 -4.164 575 HA LEU 75 HA LEU 75 4.616 15.114 -1.391 576 1HB LEU 75 HB2 LEU 75 6.728 14.907 -3.347 577 2HB LEU 75 HB1 LEU 75 7.272 15.835 -1.964 578 HG LEU 75 HG LEU 75 7.878 13.657 -1.462 579 1HD1 LEU 75 HD11 LEU 75 5.212 13.666 -0.121 580 2HD1 LEU 75 HD12 LEU 75 6.413 14.900 0.266 581 3HD1 LEU 75 HD13 LEU 75 6.785 13.195 0.522 582 1HD2 LEU 75 HD21 LEU 75 5.142 12.644 -2.171 583 2HD2 LEU 75 HD22 LEU 75 6.594 11.702 -1.832 584 3HD2 LEU 75 HD23 LEU 75 6.492 12.664 -3.306 585 H GLN 76 HN GLN 76 3.449 17.011 -0.915 586 HA GLN 76 HA GLN 76 4.634 19.581 -1.390 587 1HB GLN 76 HB2 GLN 76 2.119 18.963 -1.343 588 2HB GLN 76 HB1 GLN 76 2.271 19.117 0.402 589 1HG GLN 76 HG2 GLN 76 2.497 21.367 0.328 590 2HG GLN 76 HG1 GLN 76 3.317 21.346 -1.233 591 1HE2 GLN 76 HE21 GLN 76 0.208 21.139 0.367 592 2HE2 GLN 76 HE22 GLN 76 -0.742 21.598 -1.001 593 H GLY 77 HN GLY 77 4.254 17.375 1.316 594 1HA GLY 77 HA2 GLY 77 5.294 19.313 3.217 595 2HA GLY 77 HA1 GLY 77 4.776 17.674 3.577 596 H GLY 78 HN GLY 78 6.544 16.796 1.217 597 1HA GLY 78 HA2 GLY 78 9.060 17.072 1.047 598 2HA GLY 78 HA1 GLY 78 9.043 16.798 2.783 599 H LYS 79 HN LYS 79 9.915 15.346 0.129 600 HA LYS 79 HA LYS 79 8.639 12.910 -0.085 601 1HB LYS 79 HB2 LYS 79 10.637 12.071 -1.127 602 2HB LYS 79 HB1 LYS 79 10.410 13.745 -1.611 603 1HG LYS 79 HG2 LYS 79 12.025 13.666 0.742 604 2HG LYS 79 HG1 LYS 79 12.686 12.554 -0.459 605 1HD LYS 79 HD2 LYS 79 13.698 14.413 -1.242 606 2HD LYS 79 HD1 LYS 79 12.138 14.692 -2.019 607 1HE LYS 79 HE2 LYS 79 12.066 16.642 -0.950 608 2HE LYS 79 HE1 LYS 79 11.834 15.729 0.541 609 1HZ LYS 79 HZ1 LYS 79 14.046 15.920 1.105 610 2HZ LYS 79 HZ2 LYS 79 13.753 17.422 0.383 611 3HZ LYS 79 HZ3 LYS 79 14.553 16.210 -0.484 612 H HIS 80 HN HIS 80 10.564 14.029 2.541 613 HA HIS 80 HA HIS 80 11.694 11.748 3.552 614 1HB HIS 80 HB2 HIS 80 11.223 14.311 4.505 615 2HB HIS 80 HB1 HIS 80 10.377 13.283 5.657 616 HD1 HIS 80 HD1 HIS 80 12.028 13.642 7.561 617 HD2 HIS 80 HD2 HIS 80 13.800 12.176 4.100 618 HE1 HIS 80 HE1 HIS 80 14.358 12.972 8.230 619 HE2 HIS 80 HE2 HIS 80 15.384 12.013 6.137 620 H THR 81 HN THR 81 8.307 12.721 3.750 621 HA THR 81 HA THR 81 7.512 10.587 5.465 622 HB THR 81 HB THR 81 6.127 12.605 3.761 623 HG1 THR 81 HG1 THR 81 6.564 13.134 5.883 624 1HG2 THR 81 HG21 THR 81 4.938 10.001 4.460 625 2HG2 THR 81 HG22 THR 81 4.512 11.157 3.188 626 3HG2 THR 81 HG23 THR 81 3.974 11.431 4.849 627 H VAL 82 HN VAL 82 6.480 11.115 2.127 628 HA VAL 82 HA VAL 82 5.697 8.556 1.526 629 HB VAL 82 HB VAL 82 7.098 10.384 -0.430 630 1HG1 VAL 82 HG11 VAL 82 5.185 8.085 -0.715 631 2HG1 VAL 82 HG12 VAL 82 6.774 8.290 -1.448 632 3HG1 VAL 82 HG13 VAL 82 5.416 9.274 -1.996 633 1HG2 VAL 82 HG21 VAL 82 5.444 11.719 0.594 634 2HG2 VAL 82 HG22 VAL 82 4.278 10.400 0.607 635 3HG2 VAL 82 HG23 VAL 82 4.738 11.155 -0.917 636 H HIS 83 HN HIS 83 8.994 9.882 1.469 637 HA HIS 83 HA HIS 83 10.285 7.834 0.115 638 1HB HIS 83 HB2 HIS 83 11.423 9.896 0.858 639 2HB HIS 83 HB1 HIS 83 11.304 9.357 2.530 640 HD1 HIS 83 HD1 HIS 83 12.915 7.479 3.287 641 HD2 HIS 83 HD2 HIS 83 13.421 8.668 -0.663 642 HE1 HIS 83 HE1 HIS 83 15.103 6.477 2.558 643 HE2 HIS 83 HE2 HIS 83 15.436 7.292 0.198 644 H HIS 84 HN HIS 84 9.266 8.055 3.473 645 HA HIS 84 HA HIS 84 10.330 5.488 4.196 646 1HB HIS 84 HB2 HIS 84 9.990 7.366 5.821 647 2HB HIS 84 HB1 HIS 84 8.253 7.137 5.651 648 HD1 HIS 84 HD1 HIS 84 11.186 5.893 7.461 649 HD2 HIS 84 HD2 HIS 84 7.323 4.587 6.661 650 HE1 HIS 84 HE1 HIS 84 10.750 4.037 9.102 651 HE2 HIS 84 HE2 HIS 84 8.444 3.197 8.532 652 H ILE 85 HN ILE 85 7.340 6.717 2.906 653 HA ILE 85 HA ILE 85 5.929 4.256 3.454 654 HB ILE 85 HB ILE 85 4.018 5.359 3.145 655 1HG1 ILE 85 HG12 ILE 85 4.812 7.118 0.894 656 2HG1 ILE 85 HG11 ILE 85 4.611 5.400 0.580 657 1HG2 ILE 85 HG21 ILE 85 5.017 6.974 4.486 658 2HG2 ILE 85 HG22 ILE 85 4.135 7.844 3.229 659 3HG2 ILE 85 HG23 ILE 85 5.883 7.673 3.124 660 1HD1 ILE 85 HD11 ILE 85 2.617 7.188 0.412 661 2HD1 ILE 85 HD12 ILE 85 2.433 6.677 2.088 662 3HD1 ILE 85 HD13 ILE 85 2.373 5.486 0.793 663 H GLU 86 HN GLU 86 7.537 5.775 0.746 664 HA GLU 86 HA GLU 86 6.548 3.885 -1.184 665 1HB GLU 86 HB2 GLU 86 8.401 4.857 -2.626 666 2HB GLU 86 HB1 GLU 86 7.171 5.985 -2.085 667 1HG GLU 86 HG2 GLU 86 8.698 7.278 -1.179 668 2HG GLU 86 HG1 GLU 86 9.281 5.950 -0.180 669 H GLN 87 HN GLN 87 9.568 4.315 0.650 670 HA GLN 87 HA GLN 87 10.926 2.102 -0.448 671 1HB GLN 87 HB2 GLN 87 11.206 3.800 1.961 672 2HB GLN 87 HB1 GLN 87 11.899 2.191 2.090 673 1HG GLN 87 HG2 GLN 87 13.519 3.885 1.351 674 2HG GLN 87 HG1 GLN 87 13.303 2.581 0.184 675 1HE2 GLN 87 HE21 GLN 87 12.683 3.058 -1.834 676 2HE2 GLN 87 HE22 GLN 87 12.283 4.643 -2.394 677 H ASN 88 HN ASN 88 8.461 2.467 1.958 678 HA ASN 88 HA ASN 88 8.638 -0.249 2.921 679 1HB ASN 88 HB2 ASN 88 7.057 2.176 3.578 680 2HB ASN 88 HB1 ASN 88 6.265 0.632 3.873 681 1HD2 ASN 88 HD21 ASN 88 9.375 2.249 4.407 682 2HD2 ASN 88 HD22 ASN 88 9.632 1.605 5.989 683 H ILE 89 HN ILE 89 6.024 1.637 1.366 684 HA ILE 89 HA ILE 89 4.424 -0.520 0.691 685 HB ILE 89 HB ILE 89 4.448 2.278 0.062 686 1HG1 ILE 89 HG12 ILE 89 2.026 0.840 -0.588 687 2HG1 ILE 89 HG11 ILE 89 2.721 0.283 0.934 688 1HG2 ILE 89 HG21 ILE 89 5.003 1.722 -2.218 689 2HG2 ILE 89 HG22 ILE 89 3.302 2.179 -2.134 690 3HG2 ILE 89 HG23 ILE 89 3.752 0.479 -2.256 691 1HD1 ILE 89 HD11 ILE 89 1.252 2.687 0.379 692 2HD1 ILE 89 HD12 ILE 89 2.844 3.086 1.024 693 3HD1 ILE 89 HD13 ILE 89 1.768 2.022 1.928 694 H LYS 90 HN LYS 90 6.928 1.058 -1.287 695 HA LYS 90 HA LYS 90 6.569 -0.601 -3.508 696 1HB LYS 90 HB2 LYS 90 7.976 1.568 -3.290 697 2HB LYS 90 HB1 LYS 90 9.263 0.503 -2.743 698 1HG LYS 90 HG2 LYS 90 9.762 0.562 -4.952 699 2HG LYS 90 HG1 LYS 90 8.629 -0.792 -4.966 700 1HD LYS 90 HD2 LYS 90 7.115 0.344 -6.168 701 2HD LYS 90 HD1 LYS 90 7.336 1.816 -5.222 702 1HE LYS 90 HE2 LYS 90 9.590 1.117 -6.969 703 2HE LYS 90 HE1 LYS 90 8.094 1.510 -7.814 704 1HZ LYS 90 HZ1 LYS 90 8.847 3.311 -5.664 705 2HZ LYS 90 HZ2 LYS 90 8.199 3.655 -7.188 706 3HZ LYS 90 HZ3 LYS 90 9.852 3.336 -7.025 707 H GLU 91 HN GLU 91 8.214 -1.039 -0.494 708 HA GLU 91 HA GLU 91 9.471 -3.520 -1.361 709 1HB GLU 91 HB2 GLU 91 10.683 -1.930 0.131 710 2HB GLU 91 HB1 GLU 91 9.475 -2.228 1.373 711 1HG GLU 91 HG2 GLU 91 10.675 -3.934 2.092 712 2HG GLU 91 HG1 GLU 91 10.406 -4.747 0.552 713 H ILE 92 HN ILE 92 6.468 -2.591 -0.372 714 HA ILE 92 HA ILE 92 5.844 -4.750 1.396 715 HB ILE 92 HB ILE 92 4.494 -2.365 0.427 716 1HG1 ILE 92 HG12 ILE 92 3.476 -2.442 2.622 717 2HG1 ILE 92 HG11 ILE 92 3.962 -4.121 2.826 718 1HG2 ILE 92 HG21 ILE 92 3.021 -3.810 -0.759 719 2HG2 ILE 92 HG22 ILE 92 2.191 -3.284 0.706 720 3HG2 ILE 92 HG23 ILE 92 2.893 -4.899 0.622 721 1HD1 ILE 92 HD11 ILE 92 5.587 -3.099 4.033 722 2HD1 ILE 92 HD12 ILE 92 5.560 -1.638 3.046 723 3HD1 ILE 92 HD13 ILE 92 6.365 -3.090 2.450 724 H PHE 93 HN PHE 93 5.457 -3.937 -1.988 725 HA PHE 93 HA PHE 93 3.843 -6.090 -2.775 726 1HB PHE 93 HB2 PHE 93 4.134 -5.266 -4.876 727 2HB PHE 93 HB1 PHE 93 4.880 -3.911 -4.030 728 HD1 PHE 93 HD1 PHE 93 5.291 -5.843 -6.776 729 HD2 PHE 93 HD2 PHE 93 7.455 -4.650 -3.315 730 HE1 PHE 93 HE1 PHE 93 7.407 -6.293 -7.946 731 HE2 PHE 93 HE2 PHE 93 9.567 -5.100 -4.471 732 HZ PHE 93 HZ PHE 93 9.555 -5.917 -6.798 733 H HIS 94 HN HIS 94 7.205 -5.882 -1.954 734 HA HIS 94 HA HIS 94 8.226 -8.092 -3.336 735 1HB HIS 94 HB2 HIS 94 9.378 -6.228 -1.835 736 2HB HIS 94 HB1 HIS 94 9.233 -7.467 -0.593 737 HD1 HIS 94 HD1 HIS 94 10.648 -9.627 -0.903 738 HD2 HIS 94 HD2 HIS 94 11.288 -6.720 -3.802 739 HE1 HIS 94 HE1 HIS 94 12.745 -10.324 -2.102 740 HE2 HIS 94 HE2 HIS 94 13.069 -8.592 -3.903 741 H HIS 95 HN HIS 95 7.423 -7.954 0.125 742 HA HIS 95 HA HIS 95 7.373 -10.761 0.440 743 1HB HIS 95 HB2 HIS 95 6.288 -8.485 2.089 744 2HB HIS 95 HB1 HIS 95 6.042 -10.163 2.561 745 HD1 HIS 95 HD1 HIS 95 8.825 -7.670 1.993 746 HD2 HIS 95 HD2 HIS 95 8.172 -11.346 3.819 747 HE1 HIS 95 HE1 HIS 95 10.923 -8.157 3.289 748 HE2 HIS 95 HE2 HIS 95 10.487 -10.362 4.428 749 H LEU 96 HN LEU 96 5.242 -8.715 -1.168 750 HA LEU 96 HA LEU 96 2.868 -10.302 -0.599 751 1HB LEU 96 HB2 LEU 96 3.409 -7.844 -2.243 752 2HB LEU 96 HB1 LEU 96 1.876 -8.699 -2.348 753 HG LEU 96 HG LEU 96 3.040 -7.515 0.157 754 1HD1 LEU 96 HD11 LEU 96 2.396 -5.761 -1.365 755 2HD1 LEU 96 HD12 LEU 96 1.196 -5.867 -0.075 756 3HD1 LEU 96 HD13 LEU 96 0.845 -6.541 -1.666 757 1HD2 LEU 96 HD21 LEU 96 1.375 -8.429 1.337 758 2HD2 LEU 96 HD22 LEU 96 1.226 -9.550 -0.020 759 3HD2 LEU 96 HD23 LEU 96 0.186 -8.130 0.069 760 H GLU 97 HN GLU 97 4.630 -9.309 -3.527 761 HA GLU 97 HA GLU 97 3.429 -11.265 -5.183 762 1HB GLU 97 HB2 GLU 97 5.624 -9.296 -5.421 763 2HB GLU 97 HB1 GLU 97 5.735 -10.691 -6.487 764 1HG GLU 97 HG2 GLU 97 3.270 -10.131 -7.061 765 2HG GLU 97 HG1 GLU 97 3.659 -8.549 -6.387 766 H GLU 98 HN GLU 98 5.762 -11.503 -2.748 767 HA GLU 98 HA GLU 98 7.038 -13.852 -3.948 768 1HB GLU 98 HB2 GLU 98 8.142 -11.904 -2.477 769 2HB GLU 98 HB1 GLU 98 7.713 -13.010 -1.181 770 1HG GLU 98 HG2 GLU 98 9.050 -14.740 -2.116 771 2HG GLU 98 HG1 GLU 98 9.310 -13.816 -3.595 772 H LEU 99 HN LEU 99 4.232 -13.342 -2.437 773 HA LEU 99 HA LEU 99 4.376 -15.713 -0.717 774 1HB LEU 99 HB2 LEU 99 3.450 -13.640 0.252 775 2HB LEU 99 HB1 LEU 99 2.201 -13.635 -0.979 776 HG LEU 99 HG LEU 99 1.679 -16.029 0.010 777 1HD1 LEU 99 HD11 LEU 99 1.982 -15.982 2.478 778 2HD1 LEU 99 HD12 LEU 99 3.049 -14.594 2.274 779 3HD1 LEU 99 HD13 LEU 99 3.485 -16.152 1.572 780 1HD2 LEU 99 HD21 LEU 99 0.362 -14.569 1.864 781 2HD2 LEU 99 HD22 LEU 99 -0.132 -14.706 0.176 782 3HD2 LEU 99 HD23 LEU 99 0.806 -13.311 0.711 783 H VAL 100 HN VAL 100 2.421 -14.282 -3.310 784 HA VAL 100 HA VAL 100 0.864 -16.660 -3.694 785 HB VAL 100 HB VAL 100 1.142 -14.283 -5.539 786 1HG1 VAL 100 HG11 VAL 100 -0.221 -15.386 -6.901 787 2HG1 VAL 100 HG12 VAL 100 -1.431 -15.469 -5.621 788 3HG1 VAL 100 HG13 VAL 100 -0.241 -16.759 -5.796 789 1HG2 VAL 100 HG21 VAL 100 -1.247 -13.961 -4.301 790 2HG2 VAL 100 HG22 VAL 100 0.248 -13.170 -3.800 791 3HG2 VAL 100 HG23 VAL 100 -0.282 -14.646 -2.993 792 H HIS 101 HN HIS 101 3.720 -15.242 -5.159 793 HA HIS 101 HA HIS 101 3.810 -17.380 -7.158 794 1HB HIS 101 HB2 HIS 101 4.915 -14.654 -6.961 795 2HB HIS 101 HB1 HIS 101 6.006 -15.841 -7.668 796 HD1 HIS 101 HD1 HIS 101 2.306 -15.028 -8.132 797 HD2 HIS 101 HD2 HIS 101 5.730 -15.829 -10.344 798 HE1 HIS 101 HE1 HIS 101 1.592 -14.911 -10.540 799 HE2 HIS 101 HE2 HIS 101 3.701 -15.310 -11.860 800 H ARG 102 HN ARG 102 4.286 -17.912 -4.339 801 HA ARG 102 HA ARG 102 7.134 -18.289 -4.045 802 1HB ARG 102 HB2 ARG 102 5.640 -17.756 -2.122 803 2HB ARG 102 HB1 ARG 102 4.888 -19.333 -2.313 804 1HG ARG 102 HG2 ARG 102 6.388 -20.031 -0.823 805 2HG ARG 102 HG1 ARG 102 7.540 -19.977 -2.159 806 1HD ARG 102 HD2 ARG 102 8.030 -17.607 -1.535 807 2HD ARG 102 HD1 ARG 102 7.017 -17.829 -0.109 808 HE ARG 102 HE ARG 102 8.708 -19.028 0.870 809 1HH1 ARG 102 HH11 ARG 102 9.384 -18.682 -2.535 810 2HH1 ARG 102 HH12 ARG 102 10.988 -19.323 -2.409 811 1HH2 ARG 102 HH21 ARG 102 10.817 -19.872 1.038 812 2HH2 ARG 102 HH22 ARG 102 11.801 -19.999 -0.381 Start of MODEL 10 1 1H MET 1 HT1 MET 1 0.698 -23.500 5.321 2 2H MET 1 HT2 MET 1 1.716 -22.122 5.224 3 3H MET 1 HT3 MET 1 0.848 -22.649 3.840 4 HA MET 1 HA MET 1 -1.165 -22.001 4.694 5 1HB MET 1 HB2 MET 1 0.088 -22.658 7.135 6 2HB MET 1 HB1 MET 1 -0.388 -20.972 7.273 7 1HG MET 1 HG2 MET 1 -2.214 -22.139 8.094 8 2HG MET 1 HG1 MET 1 -2.678 -21.740 6.441 9 1HE MET 1 HE1 MET 1 -0.590 -24.089 8.373 10 2HE MET 1 HE2 MET 1 -0.235 -25.214 7.063 11 3HE MET 1 HE3 MET 1 -1.432 -25.636 8.286 12 H TYR 2 HN TYR 2 -1.207 -20.269 3.380 13 HA TYR 2 HA TYR 2 0.573 -18.012 3.877 14 1HB TYR 2 HB2 TYR 2 -1.386 -18.569 1.641 15 2HB TYR 2 HB1 TYR 2 -0.376 -17.131 1.742 16 HD1 TYR 2 HD1 TYR 2 2.182 -17.529 1.880 17 HD2 TYR 2 HD2 TYR 2 -0.594 -20.463 0.547 18 HE1 TYR 2 HE1 TYR 2 4.002 -18.720 0.729 19 HE2 TYR 2 HE2 TYR 2 1.216 -21.663 -0.605 20 HH TYR 2 HH TYR 2 3.593 -20.893 -1.600 21 H GLY 3 HN GLY 3 -0.074 -16.032 4.589 22 1HA GLY 3 HA2 GLY 3 -2.441 -14.760 4.505 23 2HA GLY 3 HA1 GLY 3 -2.693 -15.891 5.822 24 H LYS 4 HN LYS 4 0.263 -15.621 6.481 25 HA LYS 4 HA LYS 4 -0.070 -13.515 8.382 26 1HB LYS 4 HB2 LYS 4 1.310 -15.624 8.723 27 2HB LYS 4 HB1 LYS 4 2.520 -14.895 7.675 28 1HG LYS 4 HG2 LYS 4 3.268 -14.409 9.819 29 2HG LYS 4 HG1 LYS 4 2.471 -12.922 9.303 30 1HD LYS 4 HD2 LYS 4 0.908 -14.987 10.791 31 2HD LYS 4 HD1 LYS 4 2.003 -13.922 11.676 32 1HE LYS 4 HE2 LYS 4 0.496 -12.331 9.871 33 2HE LYS 4 HE1 LYS 4 -0.625 -13.386 10.730 34 1HZ LYS 4 HZ1 LYS 4 1.439 -11.837 12.170 35 2HZ LYS 4 HZ2 LYS 4 0.015 -12.518 12.778 36 3HZ LYS 4 HZ3 LYS 4 -0.059 -11.154 11.779 37 H LEU 5 HN LEU 5 1.062 -13.619 5.162 38 HA LEU 5 HA LEU 5 2.929 -11.561 5.147 39 1HB LEU 5 HB2 LEU 5 1.821 -13.064 3.220 40 2HB LEU 5 HB1 LEU 5 0.904 -11.591 2.973 41 HG LEU 5 HG LEU 5 2.738 -11.479 1.485 42 1HD1 LEU 5 HD11 LEU 5 3.971 -9.535 2.259 43 2HD1 LEU 5 HD12 LEU 5 3.470 -9.858 3.920 44 3HD1 LEU 5 HD13 LEU 5 2.270 -9.403 2.708 45 1HD2 LEU 5 HD21 LEU 5 4.055 -13.041 3.419 46 2HD2 LEU 5 HD22 LEU 5 4.997 -11.561 3.247 47 3HD2 LEU 5 HD23 LEU 5 4.649 -12.555 1.832 48 H ASN 6 HN ASN 6 -0.440 -11.545 5.828 49 HA ASN 6 HA ASN 6 -1.085 -8.906 5.222 50 1HB ASN 6 HB2 ASN 6 -2.943 -9.162 6.783 51 2HB ASN 6 HB1 ASN 6 -2.787 -10.571 5.740 52 1HD2 ASN 6 HD21 ASN 6 -4.164 -10.579 8.167 53 2HD2 ASN 6 HD22 ASN 6 -3.335 -11.623 9.267 54 H ASP 7 HN ASP 7 0.354 -10.348 8.098 55 HA ASP 7 HA ASP 7 0.254 -8.204 9.844 56 1HB ASP 7 HB2 ASP 7 1.158 -10.521 10.321 57 2HB ASP 7 HB1 ASP 7 2.652 -10.021 9.534 58 H LEU 8 HN LEU 8 2.181 -8.678 7.006 59 HA LEU 8 HA LEU 8 3.949 -6.456 7.554 60 1HB LEU 8 HB2 LEU 8 4.963 -8.214 6.362 61 2HB LEU 8 HB1 LEU 8 3.601 -8.381 5.275 62 HG LEU 8 HG LEU 8 5.769 -7.372 4.354 63 1HD1 LEU 8 HD11 LEU 8 4.584 -6.329 2.707 64 2HD1 LEU 8 HD12 LEU 8 3.484 -5.543 3.838 65 3HD1 LEU 8 HD13 LEU 8 3.295 -7.258 3.474 66 1HD2 LEU 8 HD21 LEU 8 5.391 -5.592 6.470 67 2HD2 LEU 8 HD22 LEU 8 4.985 -4.678 5.017 68 3HD2 LEU 8 HD23 LEU 8 6.560 -5.459 5.157 69 H LEU 9 HN LEU 9 0.986 -7.099 5.827 70 HA LEU 9 HA LEU 9 0.962 -4.840 4.141 71 1HB LEU 9 HB2 LEU 9 -1.086 -6.722 5.205 72 2HB LEU 9 HB1 LEU 9 -1.645 -5.221 4.494 73 HG LEU 9 HG LEU 9 0.216 -7.055 3.010 74 1HD1 LEU 9 HD11 LEU 9 -2.047 -7.701 1.860 75 2HD1 LEU 9 HD12 LEU 9 -2.722 -7.295 3.437 76 3HD1 LEU 9 HD13 LEU 9 -1.494 -8.553 3.301 77 1HD2 LEU 9 HD21 LEU 9 -1.837 -5.097 2.001 78 2HD2 LEU 9 HD22 LEU 9 -0.569 -5.906 1.080 79 3HD2 LEU 9 HD23 LEU 9 -0.145 -4.682 2.277 80 H GLU 10 HN GLU 10 0.168 -5.294 7.513 81 HA GLU 10 HA GLU 10 -1.400 -3.072 8.029 82 1HB GLU 10 HB2 GLU 10 0.601 -4.566 9.699 83 2HB GLU 10 HB1 GLU 10 -0.258 -3.174 10.345 84 1HG GLU 10 HG2 GLU 10 -1.630 -5.577 9.171 85 2HG GLU 10 HG1 GLU 10 -1.259 -5.399 10.885 86 H ASP 11 HN ASP 11 2.155 -3.294 8.191 87 HA ASP 11 HA ASP 11 2.734 -0.717 8.979 88 1HB ASP 11 HB2 ASP 11 4.280 -2.775 8.440 89 2HB ASP 11 HB1 ASP 11 4.426 -1.996 6.867 90 H LEU 12 HN LEU 12 2.341 -1.890 5.653 91 HA LEU 12 HA LEU 12 2.824 0.487 4.318 92 1HB LEU 12 HB2 LEU 12 2.594 -0.925 2.616 93 2HB LEU 12 HB1 LEU 12 1.906 -2.124 3.686 94 HG LEU 12 HG LEU 12 -0.050 -0.122 2.800 95 1HD1 LEU 12 HD11 LEU 12 0.581 -0.021 0.671 96 2HD1 LEU 12 HD12 LEU 12 -0.007 -1.679 0.560 97 3HD1 LEU 12 HD13 LEU 12 1.705 -1.369 0.840 98 1HD2 LEU 12 HD21 LEU 12 -1.152 -1.885 3.672 99 2HD2 LEU 12 HD22 LEU 12 0.157 -3.010 3.312 100 3HD2 LEU 12 HD23 LEU 12 -0.974 -2.543 2.045 101 H GLN 13 HN GLN 13 -0.359 -0.915 5.075 102 HA GLN 13 HA GLN 13 -1.894 1.252 4.288 103 1HB GLN 13 HB2 GLN 13 -2.599 -1.122 5.086 104 2HB GLN 13 HB1 GLN 13 -2.661 -0.394 6.685 105 1HG GLN 13 HG2 GLN 13 -4.096 1.393 5.226 106 2HG GLN 13 HG1 GLN 13 -4.485 -0.122 4.414 107 1HE2 GLN 13 HE21 GLN 13 -5.927 -1.448 5.315 108 2HE2 GLN 13 HE22 GLN 13 -6.626 -1.241 6.882 109 H GLU 14 HN GLU 14 -0.190 0.705 7.313 110 HA GLU 14 HA GLU 14 -1.337 2.998 8.623 111 1HB GLU 14 HB2 GLU 14 -0.565 1.066 9.928 112 2HB GLU 14 HB1 GLU 14 1.074 1.318 9.344 113 1HG GLU 14 HG2 GLU 14 0.292 3.762 10.447 114 2HG GLU 14 HG1 GLU 14 -0.287 2.528 11.566 115 H VAL 15 HN VAL 15 1.363 2.337 6.568 116 HA VAL 15 HA VAL 15 2.872 4.652 7.236 117 HB VAL 15 HB VAL 15 3.556 2.454 5.935 118 1HG1 VAL 15 HG11 VAL 15 3.937 3.565 3.464 119 2HG1 VAL 15 HG12 VAL 15 2.285 4.041 3.838 120 3HG1 VAL 15 HG13 VAL 15 2.739 2.342 3.863 121 1HG2 VAL 15 HG21 VAL 15 4.976 4.329 6.757 122 2HG2 VAL 15 HG22 VAL 15 4.779 5.094 5.178 123 3HG2 VAL 15 HG23 VAL 15 5.569 3.516 5.310 124 H LEU 16 HN LEU 16 0.175 4.002 5.157 125 HA LEU 16 HA LEU 16 0.361 6.200 3.430 126 1HB LEU 16 HB2 LEU 16 -1.904 4.504 4.403 127 2HB LEU 16 HB1 LEU 16 -2.240 5.933 3.446 128 HG LEU 16 HG LEU 16 -2.227 4.126 1.930 129 1HD1 LEU 16 HD11 LEU 16 -0.384 4.614 0.445 130 2HD1 LEU 16 HD12 LEU 16 0.499 5.394 1.756 131 3HD1 LEU 16 HD13 LEU 16 -1.003 6.103 1.158 132 1HD2 LEU 16 HD21 LEU 16 0.501 3.262 2.806 133 2HD2 LEU 16 HD22 LEU 16 -0.698 2.374 1.866 134 3HD2 LEU 16 HD23 LEU 16 -0.954 2.650 3.588 135 H LYS 17 HN LYS 17 -0.932 5.867 6.684 136 HA LYS 17 HA LYS 17 -2.356 8.200 6.967 137 1HB LYS 17 HB2 LYS 17 -2.193 6.538 8.750 138 2HB LYS 17 HB1 LYS 17 -0.492 6.920 8.979 139 1HG LYS 17 HG2 LYS 17 -1.826 9.354 9.246 140 2HG LYS 17 HG1 LYS 17 -2.823 8.177 10.101 141 1HD LYS 17 HD2 LYS 17 -1.403 8.638 11.800 142 2HD LYS 17 HD1 LYS 17 -0.392 7.445 10.983 143 1HE LYS 17 HE2 LYS 17 1.077 9.203 11.299 144 2HE LYS 17 HE1 LYS 17 0.503 9.482 9.655 145 1HZ LYS 17 HZ1 LYS 17 0.525 11.350 11.548 146 2HZ LYS 17 HZ2 LYS 17 -1.042 10.749 11.760 147 3HZ LYS 17 HZ3 LYS 17 -0.564 11.352 10.253 148 H ASN 18 HN ASN 18 1.128 7.722 7.077 149 HA ASN 18 HA ASN 18 1.776 10.426 7.736 150 1HB ASN 18 HB2 ASN 18 3.191 7.999 7.378 151 2HB ASN 18 HB1 ASN 18 3.862 9.136 6.210 152 1HD2 ASN 18 HD21 ASN 18 4.553 11.230 7.051 153 2HD2 ASN 18 HD22 ASN 18 5.215 11.308 8.645 154 H LEU 19 HN LEU 19 1.415 8.575 4.797 155 HA LEU 19 HA LEU 19 2.394 10.353 2.919 156 1HB LEU 19 HB2 LEU 19 1.945 8.496 1.781 157 2HB LEU 19 HB1 LEU 19 0.797 7.956 2.980 158 HG LEU 19 HG LEU 19 -0.210 10.031 1.137 159 1HD1 LEU 19 HD11 LEU 19 1.289 8.385 -0.196 160 2HD1 LEU 19 HD12 LEU 19 -0.328 8.765 -0.783 161 3HD1 LEU 19 HD13 LEU 19 -0.031 7.253 0.069 162 1HD2 LEU 19 HD21 LEU 19 -2.007 8.092 1.088 163 2HD2 LEU 19 HD22 LEU 19 -1.895 9.238 2.420 164 3HD2 LEU 19 HD23 LEU 19 -1.179 7.635 2.574 165 H HIS 20 HN HIS 20 -1.000 10.003 3.990 166 HA HIS 20 HA HIS 20 -2.075 11.983 2.411 167 1HB HIS 20 HB2 HIS 20 -3.979 12.010 3.861 168 2HB HIS 20 HB1 HIS 20 -3.381 10.360 3.759 169 HD1 HIS 20 HD1 HIS 20 -2.513 13.226 6.143 170 HD2 HIS 20 HD2 HIS 20 -3.723 9.258 6.116 171 HE1 HIS 20 HE1 HIS 20 -2.634 12.553 8.561 172 HE2 HIS 20 HE2 HIS 20 -3.487 10.181 8.528 173 H LYS 21 HN LYS 21 0.090 12.456 4.987 174 HA LYS 21 HA LYS 21 -0.863 15.160 5.421 175 1HB LYS 21 HB2 LYS 21 -0.159 13.827 7.363 176 2HB LYS 21 HB1 LYS 21 1.466 13.729 6.692 177 1HG LYS 21 HG2 LYS 21 1.541 15.426 8.303 178 2HG LYS 21 HG1 LYS 21 1.502 16.248 6.743 179 1HD LYS 21 HD2 LYS 21 -0.964 15.736 8.403 180 2HD LYS 21 HD1 LYS 21 -0.010 17.213 8.527 181 1HE LYS 21 HE2 LYS 21 -0.417 17.019 5.824 182 2HE LYS 21 HE1 LYS 21 -1.925 16.369 6.464 183 1HZ LYS 21 HZ1 LYS 21 -1.781 18.864 6.072 184 2HZ LYS 21 HZ2 LYS 21 -0.805 18.923 7.451 185 3HZ LYS 21 HZ3 LYS 21 -2.394 18.353 7.564 186 H ASN 22 HN ASN 22 1.586 13.495 3.647 187 HA ASN 22 HA ASN 22 2.620 16.102 2.770 188 1HB ASN 22 HB2 ASN 22 4.220 13.645 3.479 189 2HB ASN 22 HB1 ASN 22 4.878 14.973 2.528 190 1HD2 ASN 22 HD21 ASN 22 3.112 14.415 5.556 191 2HD2 ASN 22 HD22 ASN 22 3.981 15.587 6.478 192 H TRP 23 HN TRP 23 0.608 14.294 1.633 193 HA TRP 23 HA TRP 23 1.910 13.196 -0.718 194 1HB TRP 23 HB2 TRP 23 -0.005 11.984 -1.089 195 2HB TRP 23 HB1 TRP 23 -0.132 12.209 0.646 196 HD1 TRP 23 HD1 TRP 23 -2.260 13.363 1.491 197 HE1 TRP 23 HE1 TRP 23 -4.279 14.490 0.420 198 HE3 TRP 23 HE3 TRP 23 -0.600 13.362 -3.272 199 HZ2 TRP 23 HZ2 TRP 23 -5.081 15.258 -2.220 200 HZ3 TRP 23 HZ3 TRP 23 -2.024 14.264 -5.028 201 HH2 TRP 23 HH2 TRP 23 -4.230 15.207 -4.528 202 H HIS 24 HN HIS 24 -0.060 15.917 0.212 203 HA HIS 24 HA HIS 24 0.689 17.492 -1.981 204 1HB HIS 24 HB2 HIS 24 -0.733 16.043 -3.317 205 2HB HIS 24 HB1 HIS 24 -2.068 16.266 -2.196 206 HD1 HIS 24 HD1 HIS 24 0.119 18.549 -4.331 207 HD2 HIS 24 HD2 HIS 24 -3.823 18.088 -3.105 208 HE1 HIS 24 HE1 HIS 24 -1.159 20.387 -5.476 209 HE2 HIS 24 HE2 HIS 24 -3.559 20.024 -4.800 210 H GLY 25 HN GLY 25 -2.147 16.875 0.090 211 1HA GLY 25 HA2 GLY 25 -1.819 18.987 1.824 212 2HA GLY 25 HA1 GLY 25 -2.692 19.659 0.458 213 H GLY 26 HN GLY 26 -3.078 18.423 3.447 214 1HA GLY 26 HA2 GLY 26 -4.909 17.738 4.641 215 2HA GLY 26 HA1 GLY 26 -5.877 18.319 3.297 216 H LYS 27 HN LYS 27 -5.542 15.760 5.138 217 HA LYS 27 HA LYS 27 -5.206 13.584 3.376 218 1HB LYS 27 HB2 LYS 27 -5.008 13.282 5.767 219 2HB LYS 27 HB1 LYS 27 -6.673 13.790 6.010 220 1HG LYS 27 HG2 LYS 27 -7.383 11.796 4.674 221 2HG LYS 27 HG1 LYS 27 -5.701 11.263 4.699 222 1HD LYS 27 HD2 LYS 27 -5.836 10.571 6.831 223 2HD LYS 27 HD1 LYS 27 -6.757 11.991 7.331 224 1HE LYS 27 HE2 LYS 27 -8.560 10.628 5.780 225 2HE LYS 27 HE1 LYS 27 -7.675 9.322 6.567 226 1HZ LYS 27 HZ1 LYS 27 -9.439 9.841 7.993 227 2HZ LYS 27 HZ2 LYS 27 -9.209 11.510 7.838 228 3HZ LYS 27 HZ3 LYS 27 -8.092 10.580 8.702 229 H ASP 28 HN ASP 28 -7.769 15.801 3.741 230 HA ASP 28 HA ASP 28 -10.080 14.441 3.288 231 1HB ASP 28 HB2 ASP 28 -10.842 16.437 1.978 232 2HB ASP 28 HB1 ASP 28 -10.108 16.830 3.530 233 H ASN 29 HN ASN 29 -7.759 15.435 0.765 234 HA ASN 29 HA ASN 29 -9.250 14.085 -1.292 235 1HB ASN 29 HB2 ASN 29 -6.733 15.662 -1.154 236 2HB ASN 29 HB1 ASN 29 -6.889 14.517 -2.484 237 1HD2 ASN 29 HD21 ASN 29 -9.116 16.725 -0.817 238 2HD2 ASN 29 HD22 ASN 29 -9.681 17.505 -2.251 239 H LEU 30 HN LEU 30 -6.358 13.409 0.630 240 HA LEU 30 HA LEU 30 -5.536 11.092 -0.721 241 1HB LEU 30 HB2 LEU 30 -4.340 12.403 1.143 242 2HB LEU 30 HB1 LEU 30 -5.293 11.446 2.254 243 HG LEU 30 HG LEU 30 -3.006 10.569 1.911 244 1HD1 LEU 30 HD11 LEU 30 -4.430 8.353 0.782 245 2HD1 LEU 30 HD12 LEU 30 -5.375 9.160 2.032 246 3HD1 LEU 30 HD13 LEU 30 -3.761 8.561 2.397 247 1HD2 LEU 30 HD21 LEU 30 -3.924 10.028 -0.890 248 2HD2 LEU 30 HD22 LEU 30 -2.426 9.442 -0.164 249 3HD2 LEU 30 HD23 LEU 30 -2.676 11.171 -0.404 250 H HIS 31 HN HIS 31 -8.111 11.686 1.541 251 HA HIS 31 HA HIS 31 -8.662 9.226 2.598 252 1HB HIS 31 HB2 HIS 31 -9.974 11.577 2.589 253 2HB HIS 31 HB1 HIS 31 -11.001 10.675 1.478 254 HD1 HIS 31 HD1 HIS 31 -9.324 9.142 4.488 255 HD2 HIS 31 HD2 HIS 31 -13.108 10.293 3.213 256 HE1 HIS 31 HE1 HIS 31 -10.917 8.241 6.212 257 HE2 HIS 31 HE2 HIS 31 -13.192 9.025 5.465 258 H ASP 32 HN ASP 32 -9.983 10.435 -0.487 259 HA ASP 32 HA ASP 32 -11.117 8.010 -1.303 260 1HB ASP 32 HB2 ASP 32 -10.584 10.619 -2.475 261 2HB ASP 32 HB1 ASP 32 -10.400 9.323 -3.655 262 H VAL 33 HN VAL 33 -7.866 9.068 -1.248 263 HA VAL 33 HA VAL 33 -6.902 7.180 -3.211 264 HB VAL 33 HB VAL 33 -5.722 9.314 -1.522 265 1HG1 VAL 33 HG11 VAL 33 -3.424 8.570 -2.155 266 2HG1 VAL 33 HG12 VAL 33 -4.119 7.021 -2.625 267 3HG1 VAL 33 HG13 VAL 33 -4.206 7.549 -0.948 268 1HG2 VAL 33 HG21 VAL 33 -6.462 9.674 -3.831 269 2HG2 VAL 33 HG22 VAL 33 -5.283 8.477 -4.370 270 3HG2 VAL 33 HG23 VAL 33 -4.737 9.979 -3.616 271 H ASP 34 HN ASP 34 -6.106 7.661 0.250 272 HA ASP 34 HA ASP 34 -5.012 5.090 0.555 273 1HB ASP 34 HB2 ASP 34 -4.309 6.532 2.226 274 2HB ASP 34 HB1 ASP 34 -5.918 7.218 2.456 275 H ASN 35 HN ASN 35 -8.284 6.248 0.539 276 HA ASN 35 HA ASN 35 -9.547 4.162 1.947 277 1HB ASN 35 HB2 ASN 35 -10.820 6.131 1.299 278 2HB ASN 35 HB1 ASN 35 -10.524 5.808 -0.407 279 1HD2 ASN 35 HD21 ASN 35 -12.499 5.192 2.294 280 2HD2 ASN 35 HD22 ASN 35 -13.586 4.081 1.541 281 H HIS 36 HN HIS 36 -8.467 4.537 -1.373 282 HA HIS 36 HA HIS 36 -9.395 2.040 -2.356 283 1HB HIS 36 HB2 HIS 36 -7.913 4.272 -3.355 284 2HB HIS 36 HB1 HIS 36 -6.965 2.819 -3.664 285 HD1 HIS 36 HD1 HIS 36 -9.449 0.937 -4.205 286 HD2 HIS 36 HD2 HIS 36 -8.780 4.652 -5.943 287 HE1 HIS 36 HE1 HIS 36 -10.754 0.919 -6.354 288 HE2 HIS 36 HE2 HIS 36 -10.410 3.211 -7.342 289 H LEU 37 HN LEU 37 -6.350 3.225 -1.021 290 HA LEU 37 HA LEU 37 -4.794 0.938 -1.142 291 1HB LEU 37 HB2 LEU 37 -4.254 3.309 -0.271 292 2HB LEU 37 HB1 LEU 37 -4.813 2.714 1.275 293 HG LEU 37 HG LEU 37 -2.635 2.250 1.574 294 1HD1 LEU 37 HD11 LEU 37 -3.619 0.048 1.557 295 2HD1 LEU 37 HD12 LEU 37 -1.987 -0.019 0.895 296 3HD1 LEU 37 HD13 LEU 37 -3.379 -0.076 -0.186 297 1HD2 LEU 37 HD21 LEU 37 -2.474 2.255 -1.412 298 2HD2 LEU 37 HD22 LEU 37 -1.128 1.669 -0.434 299 3HD2 LEU 37 HD23 LEU 37 -1.693 3.330 -0.252 300 H GLN 38 HN GLN 38 -6.465 1.984 1.829 301 HA GLN 38 HA GLN 38 -6.206 -0.298 3.305 302 1HB GLN 38 HB2 GLN 38 -8.114 0.415 4.604 303 2HB GLN 38 HB1 GLN 38 -7.179 1.826 4.131 304 1HG GLN 38 HG2 GLN 38 -8.772 2.344 2.392 305 2HG GLN 38 HG1 GLN 38 -9.680 0.877 2.752 306 1HE2 GLN 38 HE21 GLN 38 -9.935 0.818 5.377 307 2HE2 GLN 38 HE22 GLN 38 -10.754 2.216 5.975 308 H ASN 39 HN ASN 39 -8.698 0.386 0.884 309 HA ASN 39 HA ASN 39 -10.275 -1.893 1.292 310 1HB ASN 39 HB2 ASN 39 -10.452 0.256 -0.354 311 2HB ASN 39 HB1 ASN 39 -9.963 -0.982 -1.507 312 1HD2 ASN 39 HD21 ASN 39 -12.446 0.134 0.622 313 2HD2 ASN 39 HD22 ASN 39 -13.682 -0.949 0.089 314 H VAL 40 HN VAL 40 -7.202 -1.463 -0.240 315 HA VAL 40 HA VAL 40 -7.189 -3.869 -1.764 316 HB VAL 40 HB VAL 40 -4.766 -2.417 -0.702 317 1HG1 VAL 40 HG11 VAL 40 -4.999 -4.731 -2.195 318 2HG1 VAL 40 HG12 VAL 40 -3.558 -3.727 -2.032 319 3HG1 VAL 40 HG13 VAL 40 -4.651 -3.488 -3.394 320 1HG2 VAL 40 HG21 VAL 40 -6.679 -1.650 -2.840 321 2HG2 VAL 40 HG22 VAL 40 -4.960 -1.382 -3.128 322 3HG2 VAL 40 HG23 VAL 40 -5.745 -0.640 -1.739 323 H ILE 41 HN ILE 41 -5.679 -2.946 1.325 324 HA ILE 41 HA ILE 41 -4.444 -5.274 2.036 325 HB ILE 41 HB ILE 41 -5.836 -3.196 3.694 326 1HG1 ILE 41 HG12 ILE 41 -3.476 -2.821 4.462 327 2HG1 ILE 41 HG11 ILE 41 -2.960 -4.048 3.308 328 1HG2 ILE 41 HG21 ILE 41 -6.184 -4.929 5.169 329 2HG2 ILE 41 HG22 ILE 41 -4.578 -4.382 5.650 330 3HG2 ILE 41 HG23 ILE 41 -4.754 -5.813 4.636 331 1HD1 ILE 41 HD11 ILE 41 -2.828 -1.540 2.681 332 2HD1 ILE 41 HD12 ILE 41 -4.555 -1.711 2.372 333 3HD1 ILE 41 HD13 ILE 41 -3.398 -2.709 1.491 334 H GLU 42 HN GLU 42 -7.901 -4.559 2.301 335 HA GLU 42 HA GLU 42 -8.513 -6.977 3.696 336 1HB GLU 42 HB2 GLU 42 -10.826 -6.387 3.401 337 2HB GLU 42 HB1 GLU 42 -9.933 -4.926 3.796 338 1HG GLU 42 HG2 GLU 42 -10.318 -3.977 1.788 339 2HG GLU 42 HG1 GLU 42 -10.267 -5.513 0.925 340 H ASP 43 HN ASP 43 -8.200 -6.082 0.371 341 HA ASP 43 HA ASP 43 -9.457 -8.520 -0.546 342 1HB ASP 43 HB2 ASP 43 -8.235 -6.127 -1.863 343 2HB ASP 43 HB1 ASP 43 -8.359 -7.622 -2.788 344 H ILE 44 HN ILE 44 -6.292 -7.302 0.188 345 HA ILE 44 HA ILE 44 -4.946 -9.522 -1.098 346 HB ILE 44 HB ILE 44 -3.765 -7.405 0.699 347 1HG1 ILE 44 HG12 ILE 44 -4.008 -7.494 -2.317 348 2HG1 ILE 44 HG11 ILE 44 -4.838 -6.379 -1.241 349 1HG2 ILE 44 HG21 ILE 44 -2.561 -9.435 -1.162 350 2HG2 ILE 44 HG22 ILE 44 -2.252 -9.207 0.560 351 3HG2 ILE 44 HG23 ILE 44 -1.680 -8.011 -0.605 352 1HD1 ILE 44 HD11 ILE 44 -2.871 -5.220 -0.744 353 2HD1 ILE 44 HD12 ILE 44 -2.800 -5.518 -2.481 354 3HD1 ILE 44 HD13 ILE 44 -1.851 -6.512 -1.376 355 H HIS 45 HN HIS 45 -5.294 -8.308 2.238 356 HA HIS 45 HA HIS 45 -4.019 -10.509 3.438 357 1HB HIS 45 HB2 HIS 45 -4.453 -9.479 5.421 358 2HB HIS 45 HB1 HIS 45 -4.818 -8.119 4.369 359 HD1 HIS 45 HD1 HIS 45 -6.070 -9.193 7.288 360 HD2 HIS 45 HD2 HIS 45 -7.878 -8.850 3.564 361 HE1 HIS 45 HE1 HIS 45 -8.537 -9.042 7.753 362 HE2 HIS 45 HE2 HIS 45 -9.605 -8.742 5.491 363 H ASP 46 HN ASP 46 -7.254 -10.062 2.238 364 HA ASP 46 HA ASP 46 -8.264 -12.405 3.629 365 1HB ASP 46 HB2 ASP 46 -9.682 -10.366 3.160 366 2HB ASP 46 HB1 ASP 46 -9.626 -10.805 1.455 367 H PHE 47 HN PHE 47 -7.210 -11.423 0.438 368 HA PHE 47 HA PHE 47 -7.967 -13.885 -0.835 369 1HB PHE 47 HB2 PHE 47 -6.365 -11.502 -1.655 370 2HB PHE 47 HB1 PHE 47 -6.226 -12.981 -2.595 371 HD1 PHE 47 HD1 PHE 47 -9.254 -11.647 -0.917 372 HD2 PHE 47 HD2 PHE 47 -7.261 -12.411 -4.600 373 HE1 PHE 47 HE1 PHE 47 -11.309 -11.076 -2.143 374 HE2 PHE 47 HE2 PHE 47 -9.313 -11.840 -5.832 375 HZ PHE 47 HZ PHE 47 -11.340 -11.171 -4.604 376 H MET 48 HN MET 48 -4.938 -12.598 0.469 377 HA MET 48 HA MET 48 -3.166 -14.529 -0.388 378 1HB MET 48 HB2 MET 48 -1.762 -13.922 1.480 379 2HB MET 48 HB1 MET 48 -2.541 -12.478 0.849 380 1HG MET 48 HG2 MET 48 -4.105 -12.457 2.663 381 2HG MET 48 HG1 MET 48 -3.505 -14.007 3.250 382 1HE MET 48 HE1 MET 48 -2.302 -10.312 2.394 383 2HE MET 48 HE2 MET 48 -1.084 -11.411 1.747 384 3HE MET 48 HE3 MET 48 -0.692 -10.366 3.112 385 H GLN 49 HN GLN 49 -5.697 -14.831 1.952 386 HA GLN 49 HA GLN 49 -4.612 -17.284 3.060 387 1HB GLN 49 HB2 GLN 49 -7.028 -15.602 3.635 388 2HB GLN 49 HB1 GLN 49 -6.929 -17.245 4.251 389 1HG GLN 49 HG2 GLN 49 -4.669 -16.547 5.221 390 2HG GLN 49 HG1 GLN 49 -5.192 -14.895 4.899 391 1HE2 GLN 49 HE21 GLN 49 -4.620 -15.765 7.448 392 2HE2 GLN 49 HE22 GLN 49 -6.076 -15.813 8.376 393 H GLY 50 HN GLY 50 -5.860 -16.736 0.183 394 1HA GLY 50 HA2 GLY 50 -6.377 -18.686 -1.177 395 2HA GLY 50 HA1 GLY 50 -7.335 -19.291 0.163 396 H GLY 51 HN GLY 51 -7.589 -15.924 -0.560 397 1HA GLY 51 HA2 GLY 51 -10.332 -16.386 -1.478 398 2HA GLY 51 HA1 GLY 51 -9.686 -14.866 -0.879 399 H GLY 52 HN GLY 52 -7.941 -16.743 -3.245 400 1HA GLY 52 HA2 GLY 52 -8.017 -16.509 -5.613 401 2HA GLY 52 HA1 GLY 52 -8.924 -15.018 -5.408 402 H SER 53 HN SER 53 -6.038 -15.718 -3.570 403 HA SER 53 HA SER 53 -4.803 -13.290 -4.312 404 1HB SER 53 HB2 SER 53 -4.388 -15.287 -2.371 405 2HB SER 53 HB1 SER 53 -2.889 -15.191 -3.293 406 HG SER 53 HG SER 53 -2.696 -13.064 -2.763 407 H GLY 54 HN GLY 54 -4.983 -16.252 -5.950 408 1HA GLY 54 HA2 GLY 54 -2.416 -16.045 -7.266 409 2HA GLY 54 HA1 GLY 54 -3.676 -17.219 -7.611 410 H GLY 55 HN GLY 55 -2.934 -13.756 -7.972 411 1HA GLY 55 HA2 GLY 55 -2.898 -13.113 -10.432 412 2HA GLY 55 HA1 GLY 55 -4.521 -13.783 -10.461 413 H LYS 56 HN LYS 56 -4.499 -12.517 -7.536 414 HA LYS 56 HA LYS 56 -5.790 -10.065 -8.410 415 1HB LYS 56 HB2 LYS 56 -6.834 -11.572 -6.725 416 2HB LYS 56 HB1 LYS 56 -5.507 -11.216 -5.631 417 1HG LYS 56 HG2 LYS 56 -7.084 -8.954 -6.742 418 2HG LYS 56 HG1 LYS 56 -7.793 -9.947 -5.468 419 1HD LYS 56 HD2 LYS 56 -5.065 -8.690 -5.242 420 2HD LYS 56 HD1 LYS 56 -6.540 -7.892 -4.705 421 1HE LYS 56 HE2 LYS 56 -5.820 -8.881 -2.762 422 2HE LYS 56 HE1 LYS 56 -6.929 -10.095 -3.390 423 1HZ LYS 56 HZ1 LYS 56 -4.214 -10.401 -4.306 424 2HZ LYS 56 HZ2 LYS 56 -5.281 -11.553 -3.679 425 3HZ LYS 56 HZ3 LYS 56 -4.390 -10.570 -2.632 426 H LEU 57 HN LEU 57 -2.940 -11.073 -6.631 427 HA LEU 57 HA LEU 57 -2.287 -8.544 -5.588 428 1HB LEU 57 HB2 LEU 57 -1.119 -11.158 -5.657 429 2HB LEU 57 HB1 LEU 57 0.112 -9.972 -6.039 430 HG LEU 57 HG LEU 57 0.337 -10.125 -3.758 431 1HD1 LEU 57 HD11 LEU 57 -1.839 -8.051 -3.847 432 2HD1 LEU 57 HD12 LEU 57 -0.208 -7.770 -4.455 433 3HD1 LEU 57 HD13 LEU 57 -0.464 -8.138 -2.750 434 1HD2 LEU 57 HD21 LEU 57 -1.913 -11.532 -3.768 435 2HD2 LEU 57 HD22 LEU 57 -2.539 -10.040 -3.064 436 3HD2 LEU 57 HD23 LEU 57 -1.205 -10.891 -2.285 437 H GLN 58 HN GLN 58 -2.227 -9.602 -8.808 438 HA GLN 58 HA GLN 58 0.002 -7.908 -9.546 439 1HB GLN 58 HB2 GLN 58 -0.292 -8.706 -11.787 440 2HB GLN 58 HB1 GLN 58 -0.433 -10.081 -10.701 441 1HG GLN 58 HG2 GLN 58 -2.960 -9.674 -10.844 442 2HG GLN 58 HG1 GLN 58 -2.576 -8.680 -12.248 443 1HE2 GLN 58 HE21 GLN 58 -4.173 -10.746 -12.683 444 2HE2 GLN 58 HE22 GLN 58 -3.350 -12.028 -13.498 445 H GLU 59 HN GLU 59 -3.502 -7.959 -10.176 446 HA GLU 59 HA GLU 59 -3.369 -5.311 -11.343 447 1HB GLU 59 HB2 GLU 59 -5.646 -7.225 -10.837 448 2HB GLU 59 HB1 GLU 59 -5.890 -5.607 -11.481 449 1HG GLU 59 HG2 GLU 59 -4.349 -6.212 -13.353 450 2HG GLU 59 HG1 GLU 59 -4.362 -7.866 -12.744 451 H MET 60 HN MET 60 -4.268 -6.806 -8.324 452 HA MET 60 HA MET 60 -5.559 -4.459 -7.286 453 1HB MET 60 HB2 MET 60 -6.089 -6.797 -6.546 454 2HB MET 60 HB1 MET 60 -4.526 -6.834 -5.739 455 1HG MET 60 HG2 MET 60 -5.637 -6.100 -3.957 456 2HG MET 60 HG1 MET 60 -5.592 -4.532 -4.761 457 1HE MET 60 HE1 MET 60 -7.136 -3.463 -5.904 458 2HE MET 60 HE2 MET 60 -8.831 -3.470 -5.415 459 3HE MET 60 HE3 MET 60 -8.328 -4.336 -6.866 460 H MET 61 HN MET 61 -2.325 -5.855 -7.196 461 HA MET 61 HA MET 61 -1.261 -4.393 -5.067 462 1HB MET 61 HB2 MET 61 0.122 -6.067 -5.943 463 2HB MET 61 HB1 MET 61 -0.042 -5.477 -7.591 464 1HG MET 61 HG2 MET 61 1.195 -3.560 -5.772 465 2HG MET 61 HG1 MET 61 2.094 -5.065 -5.944 466 1HE MET 61 HE1 MET 61 2.612 -6.145 -7.911 467 2HE MET 61 HE2 MET 61 3.907 -5.160 -8.594 468 3HE MET 61 HE3 MET 61 2.491 -5.553 -9.568 469 H LYS 62 HN LYS 62 -1.752 -3.460 -8.432 470 HA LYS 62 HA LYS 62 -0.376 -1.004 -8.327 471 1HB LYS 62 HB2 LYS 62 -1.351 -2.353 -10.352 472 2HB LYS 62 HB1 LYS 62 -2.789 -1.383 -10.061 473 1HG LYS 62 HG2 LYS 62 -0.611 0.397 -10.056 474 2HG LYS 62 HG1 LYS 62 -0.381 -0.683 -11.432 475 1HD LYS 62 HD2 LYS 62 -3.127 0.303 -11.075 476 2HD LYS 62 HD1 LYS 62 -1.935 1.546 -11.461 477 1HE LYS 62 HE2 LYS 62 -1.180 -0.061 -13.324 478 2HE LYS 62 HE1 LYS 62 -2.724 -0.869 -13.054 479 1HZ LYS 62 HZ1 LYS 62 -2.196 1.818 -14.120 480 2HZ LYS 62 HZ2 LYS 62 -3.651 1.529 -13.307 481 3HZ LYS 62 HZ3 LYS 62 -3.259 0.628 -14.684 482 H GLU 63 HN GLU 63 -3.347 -1.984 -6.944 483 HA GLU 63 HA GLU 63 -4.555 0.620 -6.909 484 1HB GLU 63 HB2 GLU 63 -5.575 -1.866 -6.646 485 2HB GLU 63 HB1 GLU 63 -5.475 -1.395 -4.955 486 1HG GLU 63 HG2 GLU 63 -7.380 -0.314 -5.191 487 2HG GLU 63 HG1 GLU 63 -6.562 0.805 -6.281 488 H PHE 64 HN PHE 64 -2.486 -1.221 -4.737 489 HA PHE 64 HA PHE 64 -2.896 0.705 -2.610 490 1HB PHE 64 HB2 PHE 64 -1.817 -0.778 -1.193 491 2HB PHE 64 HB1 PHE 64 -2.526 -1.880 -2.365 492 HD1 PHE 64 HD1 PHE 64 0.631 -0.075 -1.590 493 HD2 PHE 64 HD2 PHE 64 -1.218 -3.444 -3.410 494 HE1 PHE 64 HE1 PHE 64 2.842 -1.086 -1.966 495 HE2 PHE 64 HE2 PHE 64 0.990 -4.456 -3.800 496 HZ PHE 64 HZ PHE 64 3.022 -3.274 -3.070 497 H GLN 65 HN GLN 65 -0.767 0.069 -5.222 498 HA GLN 65 HA GLN 65 1.363 1.768 -4.249 499 1HB GLN 65 HB2 GLN 65 1.502 -0.298 -5.874 500 2HB GLN 65 HB1 GLN 65 1.121 0.899 -7.105 501 1HG GLN 65 HG2 GLN 65 3.162 2.030 -5.570 502 2HG GLN 65 HG1 GLN 65 3.618 0.343 -5.800 503 1HE2 GLN 65 HE21 GLN 65 4.346 3.146 -6.958 504 2HE2 GLN 65 HE22 GLN 65 4.485 2.825 -8.650 505 H GLN 66 HN GLN 66 -1.400 1.950 -6.388 506 HA GLN 66 HA GLN 66 -0.847 4.286 -7.786 507 1HB GLN 66 HB2 GLN 66 -2.745 2.873 -8.340 508 2HB GLN 66 HB1 GLN 66 -3.507 3.244 -6.800 509 1HG GLN 66 HG2 GLN 66 -3.538 5.656 -7.540 510 2HG GLN 66 HG1 GLN 66 -3.068 5.077 -9.138 511 1HE2 GLN 66 HE21 GLN 66 -5.588 6.234 -7.680 512 2HE2 GLN 66 HE22 GLN 66 -6.865 5.278 -8.344 513 H VAL 67 HN VAL 67 -2.159 3.852 -4.546 514 HA VAL 67 HA VAL 67 -3.009 6.422 -3.957 515 HB VAL 67 HB VAL 67 -1.786 4.242 -2.289 516 1HG1 VAL 67 HG11 VAL 67 -1.006 5.830 -0.895 517 2HG1 VAL 67 HG12 VAL 67 -2.684 5.870 -0.355 518 3HG1 VAL 67 HG13 VAL 67 -2.095 7.070 -1.505 519 1HG2 VAL 67 HG21 VAL 67 -3.910 3.603 -2.264 520 2HG2 VAL 67 HG22 VAL 67 -4.430 5.095 -3.046 521 3HG2 VAL 67 HG23 VAL 67 -4.270 5.029 -1.291 522 H LEU 68 HN LEU 68 0.250 5.049 -3.770 523 HA LEU 68 HA LEU 68 1.501 7.405 -2.783 524 1HB LEU 68 HB2 LEU 68 2.359 4.781 -3.837 525 2HB LEU 68 HB1 LEU 68 3.530 6.087 -3.942 526 HG LEU 68 HG LEU 68 2.695 6.389 -1.382 527 1HD1 LEU 68 HD11 LEU 68 3.041 3.685 -0.852 528 2HD1 LEU 68 HD12 LEU 68 1.869 3.733 -2.168 529 3HD1 LEU 68 HD13 LEU 68 1.555 4.619 -0.675 530 1HD2 LEU 68 HD21 LEU 68 4.771 4.516 -1.222 531 2HD2 LEU 68 HD22 LEU 68 4.913 6.272 -1.270 532 3HD2 LEU 68 HD23 LEU 68 4.997 5.341 -2.764 533 H ASP 69 HN ASP 69 0.105 6.785 -5.762 534 HA ASP 69 HA ASP 69 1.969 8.185 -7.440 535 1HB ASP 69 HB2 ASP 69 0.199 6.443 -8.167 536 2HB ASP 69 HB1 ASP 69 -0.952 7.772 -8.063 537 H GLU 70 HN GLU 70 -1.338 8.929 -6.297 538 HA GLU 70 HA GLU 70 -1.519 11.602 -7.002 539 1HB GLU 70 HB2 GLU 70 -3.136 9.950 -5.636 540 2HB GLU 70 HB1 GLU 70 -2.437 10.802 -4.262 541 1HG GLU 70 HG2 GLU 70 -4.099 12.230 -4.558 542 2HG GLU 70 HG1 GLU 70 -3.122 12.864 -5.884 543 H LEU 71 HN LEU 71 -0.066 10.040 -4.294 544 HA LEU 71 HA LEU 71 0.771 12.305 -2.833 545 1HB LEU 71 HB2 LEU 71 0.402 10.276 -1.723 546 2HB LEU 71 HB1 LEU 71 1.385 9.382 -2.857 547 HG LEU 71 HG LEU 71 3.141 11.206 -1.686 548 1HD1 LEU 71 HD11 LEU 71 0.935 10.685 0.059 549 2HD1 LEU 71 HD12 LEU 71 2.358 11.682 0.337 550 3HD1 LEU 71 HD13 LEU 71 2.399 9.959 0.716 551 1HD2 LEU 71 HD21 LEU 71 4.037 9.175 -2.155 552 2HD2 LEU 71 HD22 LEU 71 2.598 8.299 -1.652 553 3HD2 LEU 71 HD23 LEU 71 3.709 8.925 -0.442 554 H ASN 72 HN ASN 72 2.827 9.849 -4.398 555 HA ASN 72 HA ASN 72 5.199 11.241 -4.313 556 1HB ASN 72 HB2 ASN 72 4.867 8.833 -4.991 557 2HB ASN 72 HB1 ASN 72 4.404 9.418 -6.587 558 1HD2 ASN 72 HD21 ASN 72 6.156 8.292 -7.490 559 2HD2 ASN 72 HD22 ASN 72 7.771 8.893 -7.365 560 H ASN 73 HN ASN 73 2.509 11.715 -6.448 561 HA ASN 73 HA ASN 73 4.040 13.356 -8.290 562 1HB ASN 73 HB2 ASN 73 2.183 11.857 -9.058 563 2HB ASN 73 HB1 ASN 73 1.051 12.907 -8.209 564 1HD2 ASN 73 HD21 ASN 73 0.482 14.837 -9.088 565 2HD2 ASN 73 HD22 ASN 73 0.977 15.355 -10.661 566 H HIS 74 HN HIS 74 3.163 13.944 -5.281 567 HA HIS 74 HA HIS 74 2.986 16.788 -5.696 568 1HB HIS 74 HB2 HIS 74 0.616 15.189 -4.861 569 2HB HIS 74 HB1 HIS 74 0.882 16.744 -4.080 570 HD1 HIS 74 HD1 HIS 74 1.700 18.539 -6.313 571 HD2 HIS 74 HD2 HIS 74 -1.243 15.641 -6.766 572 HE1 HIS 74 HE1 HIS 74 0.306 19.296 -8.264 573 HE2 HIS 74 HE2 HIS 74 -1.520 17.572 -8.464 574 H LEU 75 HN LEU 75 4.859 15.037 -4.419 575 HA LEU 75 HA LEU 75 4.643 14.916 -1.632 576 1HB LEU 75 HB2 LEU 75 6.702 14.618 -3.603 577 2HB LEU 75 HB1 LEU 75 7.318 15.622 -2.307 578 HG LEU 75 HG LEU 75 7.945 13.515 -1.619 579 1HD1 LEU 75 HD11 LEU 75 6.844 13.143 0.357 580 2HD1 LEU 75 HD12 LEU 75 5.251 13.404 -0.355 581 3HD1 LEU 75 HD13 LEU 75 6.304 14.779 -0.021 582 1HD2 LEU 75 HD21 LEU 75 6.704 12.366 -3.447 583 2HD2 LEU 75 HD22 LEU 75 5.271 12.393 -2.421 584 3HD2 LEU 75 HD23 LEU 75 6.704 11.500 -1.911 585 H GLN 76 HN GLN 76 3.597 16.795 -0.943 586 HA GLN 76 HA GLN 76 4.399 19.403 -1.547 587 1HB GLN 76 HB2 GLN 76 2.182 18.854 -0.651 588 2HB GLN 76 HB1 GLN 76 2.907 18.398 0.885 589 1HG GLN 76 HG2 GLN 76 2.404 20.486 1.490 590 2HG GLN 76 HG1 GLN 76 3.859 20.917 0.592 591 1HE2 GLN 76 HE21 GLN 76 1.212 22.275 1.137 592 2HE2 GLN 76 HE22 GLN 76 0.680 22.800 -0.420 593 H GLY 77 HN GLY 77 6.779 18.905 -1.258 594 1HA GLY 77 HA2 GLY 77 8.749 19.260 -0.132 595 2HA GLY 77 HA1 GLY 77 7.813 20.321 0.911 596 H GLY 78 HN GLY 78 7.131 16.905 0.577 597 1HA GLY 78 HA2 GLY 78 8.284 16.458 3.257 598 2HA GLY 78 HA1 GLY 78 6.662 15.914 2.863 599 H LYS 79 HN LYS 79 9.519 15.776 0.792 600 HA LYS 79 HA LYS 79 9.116 13.240 -0.180 601 1HB LYS 79 HB2 LYS 79 11.853 14.386 0.350 602 2HB LYS 79 HB1 LYS 79 11.392 13.250 -0.909 603 1HG LYS 79 HG2 LYS 79 11.002 14.924 -2.297 604 2HG LYS 79 HG1 LYS 79 9.793 15.580 -1.193 605 1HD LYS 79 HD2 LYS 79 12.573 16.089 -0.403 606 2HD LYS 79 HD1 LYS 79 12.092 16.849 -1.922 607 1HE LYS 79 HE2 LYS 79 10.010 17.627 -0.612 608 2HE LYS 79 HE1 LYS 79 10.953 17.231 0.824 609 1HZ LYS 79 HZ1 LYS 79 11.392 19.465 0.455 610 2HZ LYS 79 HZ2 LYS 79 11.494 19.286 -1.224 611 3HZ LYS 79 HZ3 LYS 79 12.735 18.700 -0.235 612 H HIS 80 HN HIS 80 10.567 14.184 2.854 613 HA HIS 80 HA HIS 80 11.791 11.739 3.515 614 1HB HIS 80 HB2 HIS 80 12.073 14.013 4.654 615 2HB HIS 80 HB1 HIS 80 10.591 13.637 5.527 616 HD1 HIS 80 HD1 HIS 80 10.917 12.459 7.677 617 HD2 HIS 80 HD2 HIS 80 14.129 11.895 5.102 618 HE1 HIS 80 HE1 HIS 80 12.605 11.136 8.989 619 HE2 HIS 80 HE2 HIS 80 14.500 10.725 7.378 620 H THR 81 HN THR 81 8.488 12.850 3.769 621 HA THR 81 HA THR 81 7.553 10.833 5.530 622 HB THR 81 HB THR 81 6.284 12.755 3.623 623 HG1 THR 81 HG1 THR 81 5.257 13.355 5.645 624 1HG2 THR 81 HG21 THR 81 4.126 11.794 4.961 625 2HG2 THR 81 HG22 THR 81 5.002 10.305 4.574 626 3HG2 THR 81 HG23 THR 81 4.534 11.423 3.282 627 H VAL 82 HN VAL 82 6.694 11.208 2.115 628 HA VAL 82 HA VAL 82 5.827 8.616 1.682 629 HB VAL 82 HB VAL 82 7.252 10.329 -0.358 630 1HG1 VAL 82 HG11 VAL 82 6.968 8.067 -1.122 631 2HG1 VAL 82 HG12 VAL 82 5.796 9.089 -1.951 632 3HG1 VAL 82 HG13 VAL 82 5.281 8.059 -0.615 633 1HG2 VAL 82 HG21 VAL 82 5.537 11.670 0.585 634 2HG2 VAL 82 HG22 VAL 82 4.396 10.331 0.590 635 3HG2 VAL 82 HG23 VAL 82 4.906 11.048 -0.938 636 H HIS 83 HN HIS 83 9.137 9.909 1.490 637 HA HIS 83 HA HIS 83 10.446 7.811 0.297 638 1HB HIS 83 HB2 HIS 83 11.188 9.872 2.257 639 2HB HIS 83 HB1 HIS 83 12.165 8.414 2.369 640 HD1 HIS 83 HD1 HIS 83 12.932 11.377 1.219 641 HD2 HIS 83 HD2 HIS 83 12.357 7.857 -0.909 642 HE1 HIS 83 HE1 HIS 83 14.202 11.676 -0.930 643 HE2 HIS 83 HE2 HIS 83 13.898 9.505 -2.172 644 H HIS 84 HN HIS 84 9.302 8.088 3.615 645 HA HIS 84 HA HIS 84 10.302 5.513 4.405 646 1HB HIS 84 HB2 HIS 84 9.333 7.771 5.735 647 2HB HIS 84 HB1 HIS 84 8.133 6.524 6.056 648 HD1 HIS 84 HD1 HIS 84 11.328 7.758 7.206 649 HD2 HIS 84 HD2 HIS 84 9.375 4.091 7.197 650 HE1 HIS 84 HE1 HIS 84 12.516 6.360 8.923 651 HE2 HIS 84 HE2 HIS 84 11.375 4.116 8.836 652 H ILE 85 HN ILE 85 7.347 6.768 3.046 653 HA ILE 85 HA ILE 85 5.900 4.320 3.564 654 HB ILE 85 HB ILE 85 4.007 5.444 3.209 655 1HG1 ILE 85 HG12 ILE 85 4.713 7.314 1.068 656 2HG1 ILE 85 HG11 ILE 85 4.810 5.615 0.625 657 1HG2 ILE 85 HG21 ILE 85 4.170 7.941 3.290 658 2HG2 ILE 85 HG22 ILE 85 5.915 7.717 3.293 659 3HG2 ILE 85 HG23 ILE 85 4.943 7.038 4.593 660 1HD1 ILE 85 HD11 ILE 85 2.385 6.519 2.068 661 2HD1 ILE 85 HD12 ILE 85 2.567 5.293 0.819 662 3HD1 ILE 85 HD13 ILE 85 2.573 7.000 0.383 663 H GLU 86 HN GLU 86 7.648 5.780 0.928 664 HA GLU 86 HA GLU 86 6.674 3.895 -1.033 665 1HB GLU 86 HB2 GLU 86 8.522 4.885 -2.457 666 2HB GLU 86 HB1 GLU 86 7.285 6.010 -1.924 667 1HG GLU 86 HG2 GLU 86 8.737 7.253 -0.796 668 2HG GLU 86 HG1 GLU 86 9.565 5.854 -0.120 669 H GLN 87 HN GLN 87 9.695 4.388 0.806 670 HA GLN 87 HA GLN 87 11.062 2.163 -0.249 671 1HB GLN 87 HB2 GLN 87 11.318 3.863 2.171 672 2HB GLN 87 HB1 GLN 87 12.043 2.268 2.270 673 1HG GLN 87 HG2 GLN 87 13.541 4.156 1.516 674 2HG GLN 87 HG1 GLN 87 13.528 2.705 0.517 675 1HE2 GLN 87 HE21 GLN 87 12.823 2.820 -1.558 676 2HE2 GLN 87 HE22 GLN 87 12.365 4.292 -2.340 677 H ASN 88 HN ASN 88 8.531 2.546 2.057 678 HA ASN 88 HA ASN 88 8.712 -0.137 3.102 679 1HB ASN 88 HB2 ASN 88 7.020 2.260 3.602 680 2HB ASN 88 HB1 ASN 88 6.304 0.690 3.954 681 1HD2 ASN 88 HD21 ASN 88 9.574 2.019 4.318 682 2HD2 ASN 88 HD22 ASN 88 9.719 1.654 6.000 683 H ILE 89 HN ILE 89 6.014 1.613 1.523 684 HA ILE 89 HA ILE 89 4.550 -0.593 0.777 685 HB ILE 89 HB ILE 89 4.486 2.197 0.092 686 1HG1 ILE 89 HG12 ILE 89 2.157 0.596 -0.571 687 2HG1 ILE 89 HG11 ILE 89 2.826 0.187 1.004 688 1HG2 ILE 89 HG21 ILE 89 3.956 0.308 -2.203 689 2HG2 ILE 89 HG22 ILE 89 5.081 1.666 -2.170 690 3HG2 ILE 89 HG23 ILE 89 3.340 1.957 -2.125 691 1HD1 ILE 89 HD11 ILE 89 1.598 1.875 1.777 692 2HD1 ILE 89 HD12 ILE 89 1.333 2.538 0.165 693 3HD1 ILE 89 HD13 ILE 89 2.805 2.936 1.050 694 H LYS 90 HN LYS 90 7.259 0.878 -0.955 695 HA LYS 90 HA LYS 90 6.932 -0.670 -3.264 696 1HB LYS 90 HB2 LYS 90 9.405 0.621 -2.101 697 2HB LYS 90 HB1 LYS 90 9.392 -0.193 -3.656 698 1HG LYS 90 HG2 LYS 90 7.534 2.075 -3.014 699 2HG LYS 90 HG1 LYS 90 9.146 2.321 -3.689 700 1HD LYS 90 HD2 LYS 90 7.093 0.525 -4.965 701 2HD LYS 90 HD1 LYS 90 7.239 2.241 -5.352 702 1HE LYS 90 HE2 LYS 90 9.492 1.929 -6.128 703 2HE LYS 90 HE1 LYS 90 9.494 0.253 -5.582 704 1HZ LYS 90 HZ1 LYS 90 8.159 -0.407 -7.305 705 2HZ LYS 90 HZ2 LYS 90 9.051 0.815 -8.062 706 3HZ LYS 90 HZ3 LYS 90 7.475 1.124 -7.531 707 H GLU 91 HN GLU 91 8.138 -1.396 -0.137 708 HA GLU 91 HA GLU 91 9.451 -3.850 -0.993 709 1HB GLU 91 HB2 GLU 91 10.027 -2.143 1.031 710 2HB GLU 91 HB1 GLU 91 9.046 -3.321 1.891 711 1HG GLU 91 HG2 GLU 91 10.563 -5.089 0.872 712 2HG GLU 91 HG1 GLU 91 11.629 -3.754 0.434 713 H ILE 92 HN ILE 92 6.363 -2.812 -0.254 714 HA ILE 92 HA ILE 92 5.413 -5.152 1.094 715 HB ILE 92 HB ILE 92 4.209 -2.622 0.114 716 1HG1 ILE 92 HG12 ILE 92 3.048 -3.015 2.419 717 2HG1 ILE 92 HG11 ILE 92 4.299 -4.234 2.629 718 1HG2 ILE 92 HG21 ILE 92 1.920 -3.469 0.501 719 2HG2 ILE 92 HG22 ILE 92 2.574 -5.107 0.574 720 3HG2 ILE 92 HG23 ILE 92 2.695 -4.174 -0.918 721 1HD1 ILE 92 HD11 ILE 92 5.540 -1.896 1.685 722 2HD1 ILE 92 HD12 ILE 92 5.708 -2.665 3.261 723 3HD1 ILE 92 HD13 ILE 92 4.469 -1.434 3.005 724 H PHE 93 HN PHE 93 4.857 -3.726 -2.132 725 HA PHE 93 HA PHE 93 3.362 -5.701 -3.288 726 1HB PHE 93 HB2 PHE 93 3.859 -4.736 -5.309 727 2HB PHE 93 HB1 PHE 93 4.417 -3.455 -4.240 728 HD1 PHE 93 HD1 PHE 93 5.539 -6.371 -6.209 729 HD2 PHE 93 HD2 PHE 93 6.647 -2.762 -4.247 730 HE1 PHE 93 HE1 PHE 93 7.780 -6.540 -7.187 731 HE2 PHE 93 HE2 PHE 93 8.896 -2.916 -5.239 732 HZ PHE 93 HZ PHE 93 9.468 -4.806 -6.714 733 H HIS 94 HN HIS 94 6.893 -5.630 -2.960 734 HA HIS 94 HA HIS 94 7.475 -7.967 -4.374 735 1HB HIS 94 HB2 HIS 94 9.066 -6.181 -3.332 736 2HB HIS 94 HB1 HIS 94 9.003 -7.202 -1.899 737 HD1 HIS 94 HD1 HIS 94 11.649 -7.413 -2.453 738 HD2 HIS 94 HD2 HIS 94 9.035 -9.321 -5.061 739 HE1 HIS 94 HE1 HIS 94 13.054 -9.070 -3.720 740 HE2 HIS 94 HE2 HIS 94 11.467 -10.154 -5.350 741 H HIS 95 HN HIS 95 7.224 -7.593 -0.839 742 HA HIS 95 HA HIS 95 7.159 -10.352 -0.284 743 1HB HIS 95 HB2 HIS 95 6.255 -7.927 1.259 744 2HB HIS 95 HB1 HIS 95 6.063 -9.555 1.902 745 HD1 HIS 95 HD1 HIS 95 8.589 -10.926 1.590 746 HD2 HIS 95 HD2 HIS 95 8.493 -6.826 2.265 747 HE1 HIS 95 HE1 HIS 95 10.856 -10.342 2.506 748 HE2 HIS 95 HE2 HIS 95 10.806 -7.843 2.820 749 H LEU 96 HN LEU 96 4.857 -8.359 -1.758 750 HA LEU 96 HA LEU 96 2.554 -9.888 -0.850 751 1HB LEU 96 HB2 LEU 96 2.919 -7.541 -2.692 752 2HB LEU 96 HB1 LEU 96 1.383 -8.377 -2.557 753 HG LEU 96 HG LEU 96 2.836 -6.829 -0.448 754 1HD1 LEU 96 HD11 LEU 96 0.731 -5.544 -0.396 755 2HD1 LEU 96 HD12 LEU 96 0.114 -6.547 -1.706 756 3HD1 LEU 96 HD13 LEU 96 1.506 -5.503 -1.980 757 1HD2 LEU 96 HD21 LEU 96 2.014 -8.778 0.663 758 2HD2 LEU 96 HD22 LEU 96 0.448 -8.630 -0.135 759 3HD2 LEU 96 HD23 LEU 96 0.951 -7.426 1.057 760 H GLU 97 HN GLU 97 3.793 -8.978 -4.061 761 HA GLU 97 HA GLU 97 2.460 -11.090 -5.386 762 1HB GLU 97 HB2 GLU 97 4.524 -9.075 -6.109 763 2HB GLU 97 HB1 GLU 97 4.390 -10.491 -7.141 764 1HG GLU 97 HG2 GLU 97 1.881 -9.088 -6.455 765 2HG GLU 97 HG1 GLU 97 2.994 -8.262 -7.544 766 H GLU 98 HN GLU 98 5.210 -11.031 -3.409 767 HA GLU 98 HA GLU 98 6.484 -13.322 -4.690 768 1HB GLU 98 HB2 GLU 98 7.884 -11.578 -3.660 769 2HB GLU 98 HB1 GLU 98 7.153 -11.915 -2.097 770 1HG GLU 98 HG2 GLU 98 9.130 -13.072 -1.966 771 2HG GLU 98 HG1 GLU 98 8.009 -14.325 -2.497 772 H LEU 99 HN LEU 99 4.286 -12.622 -2.110 773 HA LEU 99 HA LEU 99 4.556 -15.021 -0.642 774 1HB LEU 99 HB2 LEU 99 3.471 -13.083 0.318 775 2HB LEU 99 HB1 LEU 99 2.237 -13.112 -0.928 776 HG LEU 99 HG LEU 99 1.632 -15.439 -0.005 777 1HD1 LEU 99 HD11 LEU 99 2.135 -15.424 2.542 778 2HD1 LEU 99 HD12 LEU 99 3.499 -14.405 2.082 779 3HD1 LEU 99 HD13 LEU 99 3.349 -16.030 1.415 780 1HD2 LEU 99 HD21 LEU 99 -0.037 -13.967 0.410 781 2HD2 LEU 99 HD22 LEU 99 1.047 -12.763 1.107 782 3HD2 LEU 99 HD23 LEU 99 0.536 -14.152 2.068 783 H VAL 100 HN VAL 100 2.050 -14.020 -2.978 784 HA VAL 100 HA VAL 100 0.819 -16.552 -3.135 785 HB VAL 100 HB VAL 100 0.811 -14.411 -5.264 786 1HG1 VAL 100 HG11 VAL 100 -0.681 -15.647 -6.357 787 2HG1 VAL 100 HG12 VAL 100 -1.633 -15.906 -4.895 788 3HG1 VAL 100 HG13 VAL 100 -0.280 -16.973 -5.265 789 1HG2 VAL 100 HG21 VAL 100 -1.430 -13.868 -4.065 790 2HG2 VAL 100 HG22 VAL 100 0.081 -13.241 -3.407 791 3HG2 VAL 100 HG23 VAL 100 -0.675 -14.659 -2.682 792 H HIS 101 HN HIS 101 3.413 -15.058 -4.999 793 HA HIS 101 HA HIS 101 3.559 -16.940 -7.072 794 1HB HIS 101 HB2 HIS 101 5.324 -14.852 -5.957 795 2HB HIS 101 HB1 HIS 101 6.147 -16.144 -6.825 796 HD1 HIS 101 HD1 HIS 101 6.247 -15.899 -9.293 797 HD2 HIS 101 HD2 HIS 101 3.241 -13.572 -7.615 798 HE1 HIS 101 HE1 HIS 101 5.312 -14.539 -11.190 799 HE2 HIS 101 HE2 HIS 101 3.437 -13.202 -10.167 800 H ARG 102 HN ARG 102 5.140 -16.842 -3.904 801 HA ARG 102 HA ARG 102 6.774 -19.099 -4.245 802 1HB ARG 102 HB2 ARG 102 5.961 -17.364 -2.065 803 2HB ARG 102 HB1 ARG 102 6.099 -19.035 -1.535 804 1HG ARG 102 HG2 ARG 102 8.255 -17.523 -2.993 805 2HG ARG 102 HG1 ARG 102 8.173 -17.727 -1.242 806 1HD ARG 102 HD2 ARG 102 8.779 -19.914 -1.330 807 2HD ARG 102 HD1 ARG 102 7.993 -20.181 -2.886 808 HE ARG 102 HE ARG 102 9.958 -19.644 -3.938 809 1HH1 ARG 102 HH11 ARG 102 10.154 -18.668 -0.593 810 2HH1 ARG 102 HH12 ARG 102 11.842 -18.292 -0.672 811 1HH2 ARG 102 HH21 ARG 102 12.179 -19.150 -4.044 812 2HH2 ARG 102 HH22 ARG 102 12.992 -18.565 -2.630 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -2.139 -22.024 6.219 2 2H MET 1 HT2 MET 1 -0.475 -22.198 5.836 3 3H MET 1 HT3 MET 1 -1.620 -23.319 5.223 4 HA MET 1 HA MET 1 -1.128 -21.945 3.468 5 1HB MET 1 HB2 MET 1 -3.689 -21.718 4.860 6 2HB MET 1 HB1 MET 1 -3.392 -20.375 3.766 7 1HG MET 1 HG2 MET 1 -2.958 -22.002 1.955 8 2HG MET 1 HG1 MET 1 -3.394 -23.301 3.066 9 1HE MET 1 HE1 MET 1 -6.007 -21.901 0.116 10 2HE MET 1 HE2 MET 1 -4.249 -21.913 0.252 11 3HE MET 1 HE3 MET 1 -5.152 -20.446 0.628 12 H TYR 2 HN TYR 2 -1.456 -19.596 2.619 13 HA TYR 2 HA TYR 2 0.355 -17.936 4.098 14 1HB TYR 2 HB2 TYR 2 -1.226 -17.030 1.701 15 2HB TYR 2 HB1 TYR 2 0.378 -16.519 2.217 16 HD1 TYR 2 HD1 TYR 2 2.334 -17.922 1.764 17 HD2 TYR 2 HD2 TYR 2 -1.540 -19.049 0.418 18 HE1 TYR 2 HE1 TYR 2 3.349 -19.563 0.240 19 HE2 TYR 2 HE2 TYR 2 -0.537 -20.694 -1.110 20 HH TYR 2 HH TYR 2 2.843 -20.790 -1.748 21 H GLY 3 HN GLY 3 -0.052 -15.964 5.089 22 1HA GLY 3 HA2 GLY 3 -2.464 -14.560 5.064 23 2HA GLY 3 HA1 GLY 3 -2.541 -15.696 6.398 24 H LYS 4 HN LYS 4 0.288 -15.560 6.990 25 HA LYS 4 HA LYS 4 0.248 -13.388 8.791 26 1HB LYS 4 HB2 LYS 4 1.589 -15.523 9.043 27 2HB LYS 4 HB1 LYS 4 2.709 -14.867 7.854 28 1HG LYS 4 HG2 LYS 4 3.575 -14.489 10.060 29 2HG LYS 4 HG1 LYS 4 3.115 -12.944 9.340 30 1HD LYS 4 HD2 LYS 4 1.399 -12.620 10.801 31 2HD LYS 4 HD1 LYS 4 1.065 -14.346 10.958 32 1HE LYS 4 HE2 LYS 4 3.371 -12.853 12.204 33 2HE LYS 4 HE1 LYS 4 1.934 -13.437 13.043 34 1HZ LYS 4 HZ1 LYS 4 2.678 -15.711 12.101 35 2HZ LYS 4 HZ2 LYS 4 3.458 -15.086 13.466 36 3HZ LYS 4 HZ3 LYS 4 4.192 -14.971 11.946 37 H LEU 5 HN LEU 5 1.036 -13.535 5.480 38 HA LEU 5 HA LEU 5 2.971 -11.564 5.236 39 1HB LEU 5 HB2 LEU 5 1.399 -12.985 3.488 40 2HB LEU 5 HB1 LEU 5 0.795 -11.353 3.277 41 HG LEU 5 HG LEU 5 2.505 -11.749 1.639 42 1HD1 LEU 5 HD11 LEU 5 3.633 -10.042 3.853 43 2HD1 LEU 5 HD12 LEU 5 2.402 -9.522 2.700 44 3HD1 LEU 5 HD13 LEU 5 4.021 -9.934 2.136 45 1HD2 LEU 5 HD21 LEU 5 3.653 -13.376 3.562 46 2HD2 LEU 5 HD22 LEU 5 4.775 -12.022 3.432 47 3HD2 LEU 5 HD23 LEU 5 4.350 -12.955 1.997 48 H ASN 6 HN ASN 6 -0.306 -11.382 6.277 49 HA ASN 6 HA ASN 6 -0.938 -8.749 5.738 50 1HB ASN 6 HB2 ASN 6 -2.431 -8.901 7.740 51 2HB ASN 6 HB1 ASN 6 -2.646 -10.182 6.552 52 1HD2 ASN 6 HD21 ASN 6 -3.637 -10.696 8.928 53 2HD2 ASN 6 HD22 ASN 6 -2.653 -11.803 9.818 54 H ASP 7 HN ASP 7 0.743 -10.121 8.538 55 HA ASP 7 HA ASP 7 1.024 -7.877 10.106 56 1HB ASP 7 HB2 ASP 7 1.799 -10.177 10.705 57 2HB ASP 7 HB1 ASP 7 3.179 -9.951 9.635 58 H LEU 8 HN LEU 8 2.676 -8.731 7.159 59 HA LEU 8 HA LEU 8 4.532 -6.507 7.359 60 1HB LEU 8 HB2 LEU 8 5.403 -8.527 6.407 61 2HB LEU 8 HB1 LEU 8 4.075 -8.631 5.268 62 HG LEU 8 HG LEU 8 6.343 -7.879 4.372 63 1HD1 LEU 8 HD11 LEU 8 4.695 -5.726 3.469 64 2HD1 LEU 8 HD12 LEU 8 3.714 -7.177 3.679 65 3HD1 LEU 8 HD13 LEU 8 5.138 -7.218 2.641 66 1HD2 LEU 8 HD21 LEU 8 5.752 -5.099 5.033 67 2HD2 LEU 8 HD22 LEU 8 7.290 -5.962 5.020 68 3HD2 LEU 8 HD23 LEU 8 6.230 -6.070 6.425 69 H LEU 9 HN LEU 9 1.483 -7.299 5.889 70 HA LEU 9 HA LEU 9 1.528 -5.217 3.932 71 1HB LEU 9 HB2 LEU 9 -0.173 -7.384 4.653 72 2HB LEU 9 HB1 LEU 9 -1.143 -5.926 4.617 73 HG LEU 9 HG LEU 9 0.566 -6.942 2.347 74 1HD1 LEU 9 HD11 LEU 9 -1.406 -7.662 1.299 75 2HD1 LEU 9 HD12 LEU 9 -2.431 -6.815 2.455 76 3HD1 LEU 9 HD13 LEU 9 -1.531 -8.245 2.959 77 1HD2 LEU 9 HD21 LEU 9 -1.465 -4.969 1.724 78 2HD2 LEU 9 HD22 LEU 9 0.247 -5.000 1.303 79 3HD2 LEU 9 HD23 LEU 9 -0.266 -4.351 2.859 80 H GLU 10 HN GLU 10 0.198 -5.579 7.187 81 HA GLU 10 HA GLU 10 -1.354 -3.330 7.422 82 1HB GLU 10 HB2 GLU 10 -0.870 -5.177 9.140 83 2HB GLU 10 HB1 GLU 10 0.504 -4.194 9.625 84 1HG GLU 10 HG2 GLU 10 -0.835 -3.067 10.970 85 2HG GLU 10 HG1 GLU 10 -1.690 -2.457 9.554 86 H ASP 11 HN ASP 11 2.166 -3.545 7.756 87 HA ASP 11 HA ASP 11 2.753 -1.027 8.700 88 1HB ASP 11 HB2 ASP 11 4.260 -3.097 7.910 89 2HB ASP 11 HB1 ASP 11 4.482 -2.054 6.509 90 H LEU 12 HN LEU 12 2.100 -1.996 5.365 91 HA LEU 12 HA LEU 12 2.678 0.426 4.116 92 1HB LEU 12 HB2 LEU 12 2.346 -0.986 2.420 93 2HB LEU 12 HB1 LEU 12 1.428 -2.084 3.426 94 HG LEU 12 HG LEU 12 -0.061 0.303 2.519 95 1HD1 LEU 12 HD11 LEU 12 1.473 -1.207 0.633 96 2HD1 LEU 12 HD12 LEU 12 0.404 0.170 0.366 97 3HD1 LEU 12 HD13 LEU 12 -0.250 -1.467 0.358 98 1HD2 LEU 12 HD21 LEU 12 -1.393 -2.028 1.822 99 2HD2 LEU 12 HD22 LEU 12 -1.641 -1.071 3.282 100 3HD2 LEU 12 HD23 LEU 12 -0.536 -2.444 3.307 101 H GLN 13 HN GLN 13 -0.550 -0.845 4.924 102 HA GLN 13 HA GLN 13 -1.991 1.428 4.347 103 1HB GLN 13 HB2 GLN 13 -2.946 -0.806 4.946 104 2HB GLN 13 HB1 GLN 13 -2.585 -0.465 6.633 105 1HG GLN 13 HG2 GLN 13 -3.999 1.719 6.075 106 2HG GLN 13 HG1 GLN 13 -4.701 0.627 4.882 107 1HE2 GLN 13 HE21 GLN 13 -4.411 1.413 8.220 108 2HE2 GLN 13 HE22 GLN 13 -5.550 0.259 8.816 109 H GLU 14 HN GLU 14 -0.149 0.673 7.242 110 HA GLU 14 HA GLU 14 -1.076 2.976 8.700 111 1HB GLU 14 HB2 GLU 14 1.364 1.271 9.241 112 2HB GLU 14 HB1 GLU 14 0.559 2.349 10.373 113 1HG GLU 14 HG2 GLU 14 -1.119 0.233 9.200 114 2HG GLU 14 HG1 GLU 14 0.163 -0.304 10.284 115 H VAL 15 HN VAL 15 1.548 2.185 6.555 116 HA VAL 15 HA VAL 15 3.204 4.389 7.132 117 HB VAL 15 HB VAL 15 3.586 2.225 5.637 118 1HG1 VAL 15 HG11 VAL 15 3.859 3.428 3.222 119 2HG1 VAL 15 HG12 VAL 15 2.332 4.104 3.764 120 3HG1 VAL 15 HG13 VAL 15 2.535 2.360 3.664 121 1HG2 VAL 15 HG21 VAL 15 5.227 3.916 6.457 122 2HG2 VAL 15 HG22 VAL 15 4.964 4.805 4.955 123 3HG2 VAL 15 HG23 VAL 15 5.625 3.166 4.912 124 H LEU 16 HN LEU 16 0.371 3.960 5.150 125 HA LEU 16 HA LEU 16 0.523 6.275 3.599 126 1HB LEU 16 HB2 LEU 16 -1.732 4.564 4.562 127 2HB LEU 16 HB1 LEU 16 -2.080 6.063 3.724 128 HG LEU 16 HG LEU 16 -2.178 4.322 2.110 129 1HD1 LEU 16 HD11 LEU 16 0.512 5.640 1.806 130 2HD1 LEU 16 HD12 LEU 16 -1.034 6.392 1.414 131 3HD1 LEU 16 HD13 LEU 16 -0.493 4.970 0.522 132 1HD2 LEU 16 HD21 LEU 16 -0.411 2.730 1.726 133 2HD2 LEU 16 HD22 LEU 16 -0.915 2.653 3.413 134 3HD2 LEU 16 HD23 LEU 16 0.580 3.478 2.977 135 H LYS 17 HN LYS 17 -0.614 5.744 6.887 136 HA LYS 17 HA LYS 17 -1.999 8.007 7.493 137 1HB LYS 17 HB2 LYS 17 -1.498 6.227 9.121 138 2HB LYS 17 HB1 LYS 17 0.174 6.768 9.198 139 1HG LYS 17 HG2 LYS 17 -0.896 9.047 9.884 140 2HG LYS 17 HG1 LYS 17 -2.283 8.040 10.304 141 1HD LYS 17 HD2 LYS 17 -0.861 8.356 12.245 142 2HD LYS 17 HD1 LYS 17 -0.826 6.666 11.736 143 1HE LYS 17 HE2 LYS 17 1.360 6.742 11.221 144 2HE LYS 17 HE1 LYS 17 1.236 8.348 10.505 145 1HZ LYS 17 HZ1 LYS 17 2.623 8.150 12.581 146 2HZ LYS 17 HZ2 LYS 17 1.182 7.911 13.433 147 3HZ LYS 17 HZ3 LYS 17 1.440 9.360 12.599 148 H ASN 18 HN ASN 18 1.502 7.687 7.217 149 HA ASN 18 HA ASN 18 2.089 10.402 7.904 150 1HB ASN 18 HB2 ASN 18 3.571 8.055 7.353 151 2HB ASN 18 HB1 ASN 18 4.086 9.249 6.162 152 1HD2 ASN 18 HD21 ASN 18 3.069 9.550 9.547 153 2HD2 ASN 18 HD22 ASN 18 4.515 10.321 10.092 154 H LEU 19 HN LEU 19 1.747 8.611 4.897 155 HA LEU 19 HA LEU 19 2.429 10.467 3.014 156 1HB LEU 19 HB2 LEU 19 1.913 8.605 1.900 157 2HB LEU 19 HB1 LEU 19 0.837 8.058 3.162 158 HG LEU 19 HG LEU 19 -0.171 10.148 1.296 159 1HD1 LEU 19 HD11 LEU 19 0.442 8.870 -0.457 160 2HD1 LEU 19 HD12 LEU 19 -0.958 7.916 0.015 161 3HD1 LEU 19 HD13 LEU 19 0.658 7.429 0.526 162 1HD2 LEU 19 HD21 LEU 19 -2.151 8.438 1.566 163 2HD2 LEU 19 HD22 LEU 19 -1.799 9.640 2.806 164 3HD2 LEU 19 HD23 LEU 19 -1.249 7.976 3.006 165 H HIS 20 HN HIS 20 -0.659 10.196 4.719 166 HA HIS 20 HA HIS 20 -2.200 12.003 3.320 167 1HB HIS 20 HB2 HIS 20 -2.091 11.330 6.253 168 2HB HIS 20 HB1 HIS 20 -3.253 12.487 5.624 169 HD1 HIS 20 HD1 HIS 20 -5.327 11.571 4.540 170 HD2 HIS 20 HD2 HIS 20 -2.508 8.635 5.363 171 HE1 HIS 20 HE1 HIS 20 -6.516 9.383 4.194 172 HE2 HIS 20 HE2 HIS 20 -4.815 7.621 4.786 173 H LYS 21 HN LYS 21 0.316 12.670 5.688 174 HA LYS 21 HA LYS 21 -0.294 15.514 5.660 175 1HB LYS 21 HB2 LYS 21 2.000 14.217 7.103 176 2HB LYS 21 HB1 LYS 21 1.175 15.723 7.488 177 1HG LYS 21 HG2 LYS 21 -0.067 12.990 7.669 178 2HG LYS 21 HG1 LYS 21 0.624 13.881 9.028 179 1HD LYS 21 HD2 LYS 21 -1.605 14.438 9.221 180 2HD LYS 21 HD1 LYS 21 -1.007 15.771 8.231 181 1HE LYS 21 HE2 LYS 21 -2.087 15.039 6.351 182 2HE LYS 21 HE1 LYS 21 -1.982 13.348 6.832 183 1HZ LYS 21 HZ1 LYS 21 -4.147 13.615 7.275 184 2HZ LYS 21 HZ2 LYS 21 -4.041 15.298 7.392 185 3HZ LYS 21 HZ3 LYS 21 -3.610 14.330 8.711 186 H ASN 22 HN ASN 22 1.398 13.621 3.578 187 HA ASN 22 HA ASN 22 3.087 15.894 2.848 188 1HB ASN 22 HB2 ASN 22 4.165 13.080 3.033 189 2HB ASN 22 HB1 ASN 22 5.058 14.515 2.542 190 1HD2 ASN 22 HD21 ASN 22 3.162 13.230 5.243 191 2HD2 ASN 22 HD22 ASN 22 4.116 13.958 6.484 192 H TRP 23 HN TRP 23 0.692 14.066 1.818 193 HA TRP 23 HA TRP 23 1.758 13.262 -0.740 194 1HB TRP 23 HB2 TRP 23 -0.127 12.046 -0.981 195 2HB TRP 23 HB1 TRP 23 -0.321 12.343 0.737 196 HD1 TRP 23 HD1 TRP 23 -2.549 13.360 1.409 197 HE1 TRP 23 HE1 TRP 23 -4.481 14.538 0.223 198 HE3 TRP 23 HE3 TRP 23 -0.492 13.642 -3.199 199 HZ2 TRP 23 HZ2 TRP 23 -5.064 15.450 -2.421 200 HZ3 TRP 23 HZ3 TRP 23 -1.776 14.631 -5.013 201 HH2 TRP 23 HH2 TRP 23 -4.022 15.536 -4.647 202 H HIS 24 HN HIS 24 -0.166 15.906 0.537 203 HA HIS 24 HA HIS 24 0.612 17.720 -1.433 204 1HB HIS 24 HB2 HIS 24 -0.752 16.374 -2.963 205 2HB HIS 24 HB1 HIS 24 -2.143 16.560 -1.903 206 HD1 HIS 24 HD1 HIS 24 0.200 18.795 -3.904 207 HD2 HIS 24 HD2 HIS 24 -3.733 18.639 -2.573 208 HE1 HIS 24 HE1 HIS 24 -0.932 20.799 -4.917 209 HE2 HIS 24 HE2 HIS 24 -3.332 20.639 -4.163 210 H GLY 25 HN GLY 25 -2.285 16.833 0.446 211 1HA GLY 25 HA2 GLY 25 -2.165 18.543 2.501 212 2HA GLY 25 HA1 GLY 25 -2.682 19.610 1.206 213 H GLY 26 HN GLY 26 -4.047 18.830 3.667 214 1HA GLY 26 HA2 GLY 26 -6.160 18.291 4.364 215 2HA GLY 26 HA1 GLY 26 -6.652 18.622 2.711 216 H LYS 27 HN LYS 27 -6.171 16.237 5.087 217 HA LYS 27 HA LYS 27 -5.767 13.926 3.607 218 1HB LYS 27 HB2 LYS 27 -5.662 13.655 5.923 219 2HB LYS 27 HB1 LYS 27 -7.189 14.486 6.191 220 1HG LYS 27 HG2 LYS 27 -8.431 12.621 5.802 221 2HG LYS 27 HG1 LYS 27 -7.263 11.944 4.665 222 1HD LYS 27 HD2 LYS 27 -6.887 10.537 6.412 223 2HD LYS 27 HD1 LYS 27 -5.785 11.833 6.882 224 1HE LYS 27 HE2 LYS 27 -6.958 12.267 8.725 225 2HE LYS 27 HE1 LYS 27 -8.472 12.338 7.824 226 1HZ LYS 27 HZ1 LYS 27 -7.159 9.919 8.933 227 2HZ LYS 27 HZ2 LYS 27 -8.491 9.869 7.894 228 3HZ LYS 27 HZ3 LYS 27 -8.632 10.597 9.414 229 H ASP 28 HN ASP 28 -8.541 15.973 3.768 230 HA ASP 28 HA ASP 28 -10.631 14.292 3.154 231 1HB ASP 28 HB2 ASP 28 -10.019 17.142 2.677 232 2HB ASP 28 HB1 ASP 28 -11.248 16.451 1.621 233 H ASN 29 HN ASN 29 -8.041 15.428 1.078 234 HA ASN 29 HA ASN 29 -9.281 14.318 -1.300 235 1HB ASN 29 HB2 ASN 29 -7.781 16.419 -1.197 236 2HB ASN 29 HB1 ASN 29 -6.437 15.285 -1.108 237 1HD2 ASN 29 HD21 ASN 29 -8.143 17.140 -3.151 238 2HD2 ASN 29 HD22 ASN 29 -7.911 16.270 -4.626 239 H LEU 30 HN LEU 30 -6.437 13.638 0.731 240 HA LEU 30 HA LEU 30 -5.557 11.372 -0.669 241 1HB LEU 30 HB2 LEU 30 -4.398 12.662 1.228 242 2HB LEU 30 HB1 LEU 30 -5.353 11.685 2.315 243 HG LEU 30 HG LEU 30 -3.022 10.868 1.977 244 1HD1 LEU 30 HD11 LEU 30 -5.431 9.425 2.059 245 2HD1 LEU 30 HD12 LEU 30 -3.839 8.917 2.604 246 3HD1 LEU 30 HD13 LEU 30 -4.358 8.565 0.958 247 1HD2 LEU 30 HD21 LEU 30 -2.568 9.582 -0.119 248 2HD2 LEU 30 HD22 LEU 30 -2.636 11.329 -0.337 249 3HD2 LEU 30 HD23 LEU 30 -4.003 10.333 -0.822 250 H HIS 31 HN HIS 31 -8.120 11.862 1.635 251 HA HIS 31 HA HIS 31 -8.639 9.375 2.625 252 1HB HIS 31 HB2 HIS 31 -9.981 11.733 2.633 253 2HB HIS 31 HB1 HIS 31 -11.027 10.779 1.587 254 HD1 HIS 31 HD1 HIS 31 -9.996 8.189 3.518 255 HD2 HIS 31 HD2 HIS 31 -12.236 11.560 4.458 256 HE1 HIS 31 HE1 HIS 31 -11.285 7.584 5.591 257 HE2 HIS 31 HE2 HIS 31 -12.700 9.608 6.089 258 H ASP 32 HN ASP 32 -9.943 10.639 -0.452 259 HA ASP 32 HA ASP 32 -11.092 8.208 -1.273 260 1HB ASP 32 HB2 ASP 32 -10.590 10.836 -2.435 261 2HB ASP 32 HB1 ASP 32 -10.452 9.542 -3.623 262 H VAL 33 HN VAL 33 -7.842 9.261 -1.215 263 HA VAL 33 HA VAL 33 -6.945 7.375 -3.223 264 HB VAL 33 HB VAL 33 -5.769 9.640 -1.761 265 1HG1 VAL 33 HG11 VAL 33 -4.063 7.286 -2.539 266 2HG1 VAL 33 HG12 VAL 33 -4.221 7.999 -0.934 267 3HG1 VAL 33 HG13 VAL 33 -3.440 8.908 -2.231 268 1HG2 VAL 33 HG21 VAL 33 -4.674 9.973 -3.924 269 2HG2 VAL 33 HG22 VAL 33 -6.422 9.777 -4.077 270 3HG2 VAL 33 HG23 VAL 33 -5.345 8.436 -4.476 271 H ASP 34 HN ASP 34 -6.080 7.913 0.226 272 HA ASP 34 HA ASP 34 -4.902 5.376 0.518 273 1HB ASP 34 HB2 ASP 34 -4.263 6.855 2.193 274 2HB ASP 34 HB1 ASP 34 -5.908 7.430 2.457 275 H ASN 35 HN ASN 35 -8.213 6.423 0.508 276 HA ASN 35 HA ASN 35 -9.401 4.302 1.923 277 1HB ASN 35 HB2 ASN 35 -10.746 6.215 1.286 278 2HB ASN 35 HB1 ASN 35 -10.431 5.924 -0.423 279 1HD2 ASN 35 HD21 ASN 35 -11.273 3.922 -1.331 280 2HD2 ASN 35 HD22 ASN 35 -12.754 3.281 -0.713 281 H HIS 36 HN HIS 36 -8.308 4.673 -1.392 282 HA HIS 36 HA HIS 36 -9.223 2.202 -2.406 283 1HB HIS 36 HB2 HIS 36 -7.413 4.339 -3.250 284 2HB HIS 36 HB1 HIS 36 -6.838 2.748 -3.742 285 HD1 HIS 36 HD1 HIS 36 -7.689 2.036 -5.946 286 HD2 HIS 36 HD2 HIS 36 -10.314 4.644 -4.056 287 HE1 HIS 36 HE1 HIS 36 -9.573 2.391 -7.574 288 HE2 HIS 36 HE2 HIS 36 -11.192 3.903 -6.373 289 H LEU 37 HN LEU 37 -6.107 3.245 -1.063 290 HA LEU 37 HA LEU 37 -4.765 0.805 -1.109 291 1HB LEU 37 HB2 LEU 37 -3.946 3.149 -0.405 292 2HB LEU 37 HB1 LEU 37 -4.527 2.728 1.188 293 HG LEU 37 HG LEU 37 -2.402 2.059 1.484 294 1HD1 LEU 37 HD11 LEU 37 -3.568 -0.030 1.672 295 2HD1 LEU 37 HD12 LEU 37 -2.002 -0.316 0.911 296 3HD1 LEU 37 HD13 LEU 37 -3.467 -0.291 -0.070 297 1HD2 LEU 37 HD21 LEU 37 -1.080 1.107 -0.575 298 2HD2 LEU 37 HD22 LEU 37 -1.300 2.844 -0.359 299 3HD2 LEU 37 HD23 LEU 37 -2.329 1.958 -1.485 300 H GLN 38 HN GLN 38 -6.229 2.194 1.824 301 HA GLN 38 HA GLN 38 -6.129 0.021 3.463 302 1HB GLN 38 HB2 GLN 38 -6.888 2.311 4.094 303 2HB GLN 38 HB1 GLN 38 -8.443 1.959 3.352 304 1HG GLN 38 HG2 GLN 38 -7.570 -0.028 5.312 305 2HG GLN 38 HG1 GLN 38 -7.834 1.585 5.973 306 1HE2 GLN 38 HE21 GLN 38 -9.378 -0.598 6.694 307 2HE2 GLN 38 HE22 GLN 38 -10.988 -0.365 6.112 308 H ASN 39 HN ASN 39 -8.609 0.710 1.038 309 HA ASN 39 HA ASN 39 -10.297 -1.462 1.763 310 1HB ASN 39 HB2 ASN 39 -10.882 0.616 0.354 311 2HB ASN 39 HB1 ASN 39 -10.172 -0.262 -0.998 312 1HD2 ASN 39 HD21 ASN 39 -12.928 0.614 -0.512 313 2HD2 ASN 39 HD22 ASN 39 -13.897 -0.811 -0.617 314 H VAL 40 HN VAL 40 -7.397 -1.229 -0.085 315 HA VAL 40 HA VAL 40 -7.791 -3.673 -1.549 316 HB VAL 40 HB VAL 40 -5.257 -2.099 -1.064 317 1HG1 VAL 40 HG11 VAL 40 -4.621 -3.331 -3.246 318 2HG1 VAL 40 HG12 VAL 40 -5.887 -4.467 -2.776 319 3HG1 VAL 40 HG13 VAL 40 -4.508 -4.191 -1.712 320 1HG2 VAL 40 HG21 VAL 40 -5.918 -0.664 -2.630 321 2HG2 VAL 40 HG22 VAL 40 -7.505 -1.432 -2.599 322 3HG2 VAL 40 HG23 VAL 40 -6.284 -1.979 -3.746 323 H ILE 41 HN ILE 41 -6.117 -2.669 1.391 324 HA ILE 41 HA ILE 41 -4.591 -4.871 1.958 325 HB ILE 41 HB ILE 41 -4.931 -2.686 3.312 326 1HG1 ILE 41 HG12 ILE 41 -4.360 -4.210 5.471 327 2HG1 ILE 41 HG11 ILE 41 -4.131 -5.393 4.188 328 1HG2 ILE 41 HG21 ILE 41 -6.572 -4.308 5.172 329 2HG2 ILE 41 HG22 ILE 41 -7.389 -3.557 3.804 330 3HG2 ILE 41 HG23 ILE 41 -6.499 -2.560 4.952 331 1HD1 ILE 41 HD11 ILE 41 -2.071 -4.181 4.853 332 2HD1 ILE 41 HD12 ILE 41 -2.803 -2.698 4.242 333 3HD1 ILE 41 HD13 ILE 41 -2.473 -4.036 3.142 334 H GLU 42 HN GLU 42 -8.078 -4.547 2.272 335 HA GLU 42 HA GLU 42 -8.405 -7.044 3.659 336 1HB GLU 42 HB2 GLU 42 -10.643 -6.532 3.761 337 2HB GLU 42 HB1 GLU 42 -9.991 -4.918 3.518 338 1HG GLU 42 HG2 GLU 42 -10.451 -5.143 1.100 339 2HG GLU 42 HG1 GLU 42 -11.201 -6.705 1.419 340 H ASP 43 HN ASP 43 -8.540 -5.929 0.338 341 HA ASP 43 HA ASP 43 -9.567 -8.290 -0.799 342 1HB ASP 43 HB2 ASP 43 -8.117 -5.896 -1.791 343 2HB ASP 43 HB1 ASP 43 -8.040 -7.333 -2.807 344 H ILE 44 HN ILE 44 -6.396 -7.338 0.287 345 HA ILE 44 HA ILE 44 -5.118 -9.664 -0.905 346 HB ILE 44 HB ILE 44 -3.536 -8.262 1.107 347 1HG1 ILE 44 HG12 ILE 44 -4.727 -6.698 -1.182 348 2HG1 ILE 44 HG11 ILE 44 -4.697 -6.275 0.525 349 1HG2 ILE 44 HG21 ILE 44 -1.837 -8.497 -0.448 350 2HG2 ILE 44 HG22 ILE 44 -2.948 -8.456 -1.816 351 3HG2 ILE 44 HG23 ILE 44 -2.876 -9.882 -0.782 352 1HD1 ILE 44 HD11 ILE 44 -2.184 -6.133 0.304 353 2HD1 ILE 44 HD12 ILE 44 -3.122 -4.883 -0.511 354 3HD1 ILE 44 HD13 ILE 44 -2.434 -6.216 -1.438 355 H HIS 45 HN HIS 45 -6.241 -8.553 2.226 356 HA HIS 45 HA HIS 45 -5.071 -10.657 3.736 357 1HB HIS 45 HB2 HIS 45 -7.290 -8.700 4.294 358 2HB HIS 45 HB1 HIS 45 -6.815 -9.932 5.462 359 HD1 HIS 45 HD1 HIS 45 -6.119 -7.847 6.998 360 HD2 HIS 45 HD2 HIS 45 -3.872 -8.438 3.553 361 HE1 HIS 45 HE1 HIS 45 -4.017 -6.505 7.334 362 HE2 HIS 45 HE2 HIS 45 -2.611 -6.995 5.301 363 H ASP 46 HN ASP 46 -8.244 -10.162 2.267 364 HA ASP 46 HA ASP 46 -9.260 -12.671 3.235 365 1HB ASP 46 HB2 ASP 46 -10.417 -10.370 2.233 366 2HB ASP 46 HB1 ASP 46 -10.629 -11.518 0.916 367 H PHE 47 HN PHE 47 -7.386 -11.581 0.560 368 HA PHE 47 HA PHE 47 -8.007 -13.933 -1.049 369 1HB PHE 47 HB2 PHE 47 -6.411 -11.453 -1.502 370 2HB PHE 47 HB1 PHE 47 -6.093 -12.868 -2.498 371 HD1 PHE 47 HD1 PHE 47 -9.345 -11.691 -1.148 372 HD2 PHE 47 HD2 PHE 47 -6.909 -12.258 -4.590 373 HE1 PHE 47 HE1 PHE 47 -11.256 -11.124 -2.590 374 HE2 PHE 47 HE2 PHE 47 -8.816 -11.692 -6.038 375 HZ PHE 47 HZ PHE 47 -10.993 -11.123 -5.038 376 H MET 48 HN MET 48 -5.199 -12.610 0.679 377 HA MET 48 HA MET 48 -3.286 -14.460 -0.002 378 1HB MET 48 HB2 MET 48 -2.094 -13.831 1.940 379 2HB MET 48 HB1 MET 48 -3.014 -12.412 1.463 380 1HG MET 48 HG2 MET 48 -4.743 -13.114 3.156 381 2HG MET 48 HG1 MET 48 -3.574 -14.302 3.727 382 1HE MET 48 HE1 MET 48 -4.918 -12.644 5.432 383 2HE MET 48 HE2 MET 48 -4.433 -10.976 5.740 384 3HE MET 48 HE3 MET 48 -3.595 -12.302 6.546 385 H GLN 49 HN GLN 49 -6.080 -14.943 1.988 386 HA GLN 49 HA GLN 49 -5.066 -17.443 3.071 387 1HB GLN 49 HB2 GLN 49 -7.435 -15.715 3.571 388 2HB GLN 49 HB1 GLN 49 -7.593 -17.430 3.924 389 1HG GLN 49 HG2 GLN 49 -5.239 -15.934 4.971 390 2HG GLN 49 HG1 GLN 49 -6.805 -15.757 5.761 391 1HE2 GLN 49 HE21 GLN 49 -7.916 -17.900 6.210 392 2HE2 GLN 49 HE22 GLN 49 -6.921 -19.155 6.857 393 H GLY 50 HN GLY 50 -5.866 -16.847 0.116 394 1HA GLY 50 HA2 GLY 50 -6.299 -18.630 -1.420 395 2HA GLY 50 HA1 GLY 50 -7.317 -19.384 -0.203 396 H GLY 51 HN GLY 51 -7.580 -15.971 -0.847 397 1HA GLY 51 HA2 GLY 51 -10.256 -16.475 -1.966 398 2HA GLY 51 HA1 GLY 51 -9.754 -14.998 -1.157 399 H GLY 52 HN GLY 52 -7.812 -16.614 -3.593 400 1HA GLY 52 HA2 GLY 52 -7.827 -16.090 -5.939 401 2HA GLY 52 HA1 GLY 52 -8.582 -14.552 -5.550 402 H SER 53 HN SER 53 -5.925 -15.664 -3.628 403 HA SER 53 HA SER 53 -4.402 -13.354 -4.018 404 1HB SER 53 HB2 SER 53 -2.697 -14.423 -2.730 405 2HB SER 53 HB1 SER 53 -4.240 -14.993 -2.091 406 HG SER 53 HG SER 53 -2.508 -16.366 -3.870 407 H GLY 54 HN GLY 54 -4.680 -16.178 -5.962 408 1HA GLY 54 HA2 GLY 54 -2.141 -15.681 -7.319 409 2HA GLY 54 HA1 GLY 54 -3.218 -17.042 -7.599 410 H GLY 55 HN GLY 55 -2.891 -13.555 -8.085 411 1HA GLY 55 HA2 GLY 55 -3.159 -13.047 -10.589 412 2HA GLY 55 HA1 GLY 55 -4.758 -13.743 -10.358 413 H LYS 56 HN LYS 56 -4.429 -12.402 -7.523 414 HA LYS 56 HA LYS 56 -5.797 -9.957 -8.300 415 1HB LYS 56 HB2 LYS 56 -6.680 -11.410 -6.482 416 2HB LYS 56 HB1 LYS 56 -5.230 -11.075 -5.547 417 1HG LYS 56 HG2 LYS 56 -6.778 -8.744 -6.501 418 2HG LYS 56 HG1 LYS 56 -7.498 -9.731 -5.228 419 1HD LYS 56 HD2 LYS 56 -4.686 -8.669 -5.072 420 2HD LYS 56 HD1 LYS 56 -6.082 -7.779 -4.462 421 1HE LYS 56 HE2 LYS 56 -5.510 -8.858 -2.558 422 2HE LYS 56 HE1 LYS 56 -6.545 -10.098 -3.262 423 1HZ LYS 56 HZ1 LYS 56 -4.060 -10.547 -2.414 424 2HZ LYS 56 HZ2 LYS 56 -3.756 -10.210 -4.043 425 3HZ LYS 56 HZ3 LYS 56 -4.814 -11.460 -3.623 426 H LEU 57 HN LEU 57 -3.060 -10.867 -6.233 427 HA LEU 57 HA LEU 57 -2.173 -8.331 -5.598 428 1HB LEU 57 HB2 LEU 57 -1.341 -10.904 -5.115 429 2HB LEU 57 HB1 LEU 57 -0.018 -10.255 -6.058 430 HG LEU 57 HG LEU 57 0.678 -8.865 -4.391 431 1HD1 LEU 57 HD11 LEU 57 -0.947 -8.128 -2.523 432 2HD1 LEU 57 HD12 LEU 57 -2.210 -8.625 -3.648 433 3HD1 LEU 57 HD13 LEU 57 -1.066 -7.365 -4.109 434 1HD2 LEU 57 HD21 LEU 57 -0.804 -11.090 -3.033 435 2HD2 LEU 57 HD22 LEU 57 0.199 -9.946 -2.140 436 3HD2 LEU 57 HD23 LEU 57 0.918 -10.965 -3.387 437 H GLN 58 HN GLN 58 -2.198 -9.710 -8.701 438 HA GLN 58 HA GLN 58 0.126 -8.250 -9.611 439 1HB GLN 58 HB2 GLN 58 -0.691 -9.085 -11.906 440 2HB GLN 58 HB1 GLN 58 -0.100 -10.276 -10.758 441 1HG GLN 58 HG2 GLN 58 -2.044 -11.337 -10.707 442 2HG GLN 58 HG1 GLN 58 -2.945 -9.840 -10.493 443 1HE2 GLN 58 HE21 GLN 58 -3.342 -8.553 -12.439 444 2HE2 GLN 58 HE22 GLN 58 -3.592 -9.375 -13.938 445 H GLU 59 HN GLU 59 -3.379 -8.131 -10.258 446 HA GLU 59 HA GLU 59 -3.071 -5.556 -11.565 447 1HB GLU 59 HB2 GLU 59 -5.181 -7.603 -11.360 448 2HB GLU 59 HB1 GLU 59 -5.771 -5.947 -11.356 449 1HG GLU 59 HG2 GLU 59 -3.765 -6.550 -13.412 450 2HG GLU 59 HG1 GLU 59 -5.298 -7.403 -13.580 451 H MET 60 HN MET 60 -3.987 -6.873 -8.500 452 HA MET 60 HA MET 60 -5.276 -4.495 -7.539 453 1HB MET 60 HB2 MET 60 -5.978 -6.548 -6.551 454 2HB MET 60 HB1 MET 60 -4.323 -7.022 -6.198 455 1HG MET 60 HG2 MET 60 -4.935 -4.525 -4.924 456 2HG MET 60 HG1 MET 60 -6.131 -5.749 -4.501 457 1HE MET 60 HE1 MET 60 -1.759 -5.426 -3.784 458 2HE MET 60 HE2 MET 60 -2.748 -4.595 -2.584 459 3HE MET 60 HE3 MET 60 -2.962 -4.244 -4.298 460 H MET 61 HN MET 61 -2.050 -5.930 -7.378 461 HA MET 61 HA MET 61 -0.900 -4.394 -5.388 462 1HB MET 61 HB2 MET 61 0.508 -6.027 -6.240 463 2HB MET 61 HB1 MET 61 0.180 -5.591 -7.910 464 1HG MET 61 HG2 MET 61 1.611 -3.639 -6.182 465 2HG MET 61 HG1 MET 61 2.483 -5.055 -6.767 466 1HE MET 61 HE1 MET 61 4.086 -3.678 -7.572 467 2HE MET 61 HE2 MET 61 3.798 -2.129 -8.365 468 3HE MET 61 HE3 MET 61 4.159 -3.560 -9.330 469 H LYS 62 HN LYS 62 -1.532 -3.517 -8.742 470 HA LYS 62 HA LYS 62 -0.150 -1.066 -8.744 471 1HB LYS 62 HB2 LYS 62 -1.258 -0.600 -10.788 472 2HB LYS 62 HB1 LYS 62 -1.013 -2.340 -10.753 473 1HG LYS 62 HG2 LYS 62 -3.167 -2.574 -11.202 474 2HG LYS 62 HG1 LYS 62 -3.514 -1.947 -9.590 475 1HD LYS 62 HD2 LYS 62 -4.594 -0.279 -10.610 476 2HD LYS 62 HD1 LYS 62 -3.007 0.325 -11.089 477 1HE LYS 62 HE2 LYS 62 -4.299 -1.783 -12.748 478 2HE LYS 62 HE1 LYS 62 -4.897 -0.129 -12.869 479 1HZ LYS 62 HZ1 LYS 62 -2.297 0.306 -13.074 480 2HZ LYS 62 HZ2 LYS 62 -3.277 -0.012 -14.416 481 3HZ LYS 62 HZ3 LYS 62 -2.354 -1.252 -13.731 482 H GLU 63 HN GLU 63 -3.171 -1.988 -7.354 483 HA GLU 63 HA GLU 63 -4.314 0.633 -7.292 484 1HB GLU 63 HB2 GLU 63 -5.179 -1.993 -6.686 485 2HB GLU 63 HB1 GLU 63 -5.402 -1.028 -5.230 486 1HG GLU 63 HG2 GLU 63 -7.188 -0.056 -6.080 487 2HG GLU 63 HG1 GLU 63 -6.288 0.453 -7.508 488 H PHE 64 HN PHE 64 -2.526 -1.342 -4.928 489 HA PHE 64 HA PHE 64 -2.798 0.614 -2.868 490 1HB PHE 64 HB2 PHE 64 -1.662 -0.857 -1.498 491 2HB PHE 64 HB1 PHE 64 -2.332 -1.959 -2.692 492 HD1 PHE 64 HD1 PHE 64 0.755 -0.097 -1.811 493 HD2 PHE 64 HD2 PHE 64 -0.961 -3.399 -3.862 494 HE1 PHE 64 HE1 PHE 64 3.002 -1.009 -2.225 495 HE2 PHE 64 HE2 PHE 64 1.282 -4.309 -4.293 496 HZ PHE 64 HZ PHE 64 3.266 -3.111 -3.467 497 H GLN 65 HN GLN 65 -0.671 0.116 -5.515 498 HA GLN 65 HA GLN 65 1.408 1.859 -4.516 499 1HB GLN 65 HB2 GLN 65 1.989 -0.010 -5.999 500 2HB GLN 65 HB1 GLN 65 0.974 0.667 -7.264 501 1HG GLN 65 HG2 GLN 65 2.506 2.755 -6.989 502 2HG GLN 65 HG1 GLN 65 3.616 1.600 -6.254 503 1HE2 GLN 65 HE21 GLN 65 4.636 0.105 -7.515 504 2HE2 GLN 65 HE22 GLN 65 4.560 0.105 -9.240 505 H GLN 66 HN GLN 66 -1.406 2.021 -6.584 506 HA GLN 66 HA GLN 66 -0.930 4.433 -7.906 507 1HB GLN 66 HB2 GLN 66 -2.988 2.612 -7.830 508 2HB GLN 66 HB1 GLN 66 -3.718 4.026 -7.086 509 1HG GLN 66 HG2 GLN 66 -2.301 4.883 -9.387 510 2HG GLN 66 HG1 GLN 66 -3.284 3.489 -9.832 511 1HE2 GLN 66 HE21 GLN 66 -5.575 3.577 -9.095 512 2HE2 GLN 66 HE22 GLN 66 -6.380 5.103 -9.173 513 H VAL 67 HN VAL 67 -2.195 3.775 -4.697 514 HA VAL 67 HA VAL 67 -3.158 6.285 -3.991 515 HB VAL 67 HB VAL 67 -1.758 4.217 -2.278 516 1HG1 VAL 67 HG11 VAL 67 -2.230 6.786 -1.497 517 2HG1 VAL 67 HG12 VAL 67 -2.145 5.399 -0.414 518 3HG1 VAL 67 HG13 VAL 67 -3.710 5.975 -0.986 519 1HG2 VAL 67 HG21 VAL 67 -4.543 4.339 -1.814 520 2HG2 VAL 67 HG22 VAL 67 -3.608 3.023 -2.519 521 3HG2 VAL 67 HG23 VAL 67 -4.299 4.267 -3.558 522 H LEU 68 HN LEU 68 0.130 5.024 -3.961 523 HA LEU 68 HA LEU 68 1.279 7.388 -2.788 524 1HB LEU 68 HB2 LEU 68 2.238 4.806 -3.844 525 2HB LEU 68 HB1 LEU 68 3.370 6.145 -3.936 526 HG LEU 68 HG LEU 68 2.538 6.436 -1.391 527 1HD1 LEU 68 HD11 LEU 68 2.861 3.685 -0.933 528 2HD1 LEU 68 HD12 LEU 68 1.610 3.839 -2.164 529 3HD1 LEU 68 HD13 LEU 68 1.437 4.676 -0.619 530 1HD2 LEU 68 HD21 LEU 68 4.834 5.389 -2.767 531 2HD2 LEU 68 HD22 LEU 68 4.594 4.523 -1.250 532 3HD2 LEU 68 HD23 LEU 68 4.753 6.278 -1.248 533 H ASP 69 HN ASP 69 -0.047 6.784 -5.784 534 HA ASP 69 HA ASP 69 1.826 8.197 -7.435 535 1HB ASP 69 HB2 ASP 69 0.063 6.444 -8.174 536 2HB ASP 69 HB1 ASP 69 -1.081 7.781 -8.108 537 H GLU 70 HN GLU 70 -1.465 8.920 -6.235 538 HA GLU 70 HA GLU 70 -1.601 11.606 -6.996 539 1HB GLU 70 HB2 GLU 70 -3.314 9.972 -5.738 540 2HB GLU 70 HB1 GLU 70 -2.672 10.790 -4.316 541 1HG GLU 70 HG2 GLU 70 -4.786 11.737 -5.267 542 2HG GLU 70 HG1 GLU 70 -3.469 12.879 -5.031 543 H LEU 71 HN LEU 71 -0.201 10.000 -4.283 544 HA LEU 71 HA LEU 71 0.571 12.267 -2.775 545 1HB LEU 71 HB2 LEU 71 0.203 10.296 -1.618 546 2HB LEU 71 HB1 LEU 71 1.093 9.336 -2.773 547 HG LEU 71 HG LEU 71 3.052 10.959 -1.721 548 1HD1 LEU 71 HD11 LEU 71 2.294 10.105 0.808 549 2HD1 LEU 71 HD12 LEU 71 0.840 10.829 0.132 550 3HD1 LEU 71 HD13 LEU 71 2.326 11.769 0.225 551 1HD2 LEU 71 HD21 LEU 71 2.099 8.178 -1.183 552 2HD2 LEU 71 HD22 LEU 71 3.499 8.825 -0.334 553 3HD2 LEU 71 HD23 LEU 71 3.507 8.710 -2.096 554 H ASN 72 HN ASN 72 2.657 9.823 -4.321 555 HA ASN 72 HA ASN 72 5.038 11.188 -4.161 556 1HB ASN 72 HB2 ASN 72 4.706 8.805 -4.903 557 2HB ASN 72 HB1 ASN 72 4.261 9.427 -6.489 558 1HD2 ASN 72 HD21 ASN 72 6.713 8.151 -4.778 559 2HD2 ASN 72 HD22 ASN 72 8.060 8.802 -5.643 560 H ASN 73 HN ASN 73 2.399 11.749 -6.339 561 HA ASN 73 HA ASN 73 3.991 13.400 -8.116 562 1HB ASN 73 HB2 ASN 73 1.083 12.615 -8.056 563 2HB ASN 73 HB1 ASN 73 1.699 13.824 -9.178 564 1HD2 ASN 73 HD21 ASN 73 0.829 12.211 -10.716 565 2HD2 ASN 73 HD22 ASN 73 1.880 10.941 -11.232 566 H HIS 74 HN HIS 74 3.022 13.956 -5.111 567 HA HIS 74 HA HIS 74 2.872 16.818 -5.530 568 1HB HIS 74 HB2 HIS 74 0.560 15.230 -4.451 569 2HB HIS 74 HB1 HIS 74 0.810 16.908 -3.980 570 HD1 HIS 74 HD1 HIS 74 0.862 18.651 -6.065 571 HD2 HIS 74 HD2 HIS 74 -0.782 14.904 -6.792 572 HE1 HIS 74 HE1 HIS 74 -0.488 18.907 -8.171 573 HE2 HIS 74 HE2 HIS 74 -1.422 16.611 -8.627 574 H LEU 75 HN LEU 75 4.739 14.983 -4.259 575 HA LEU 75 HA LEU 75 4.617 14.897 -1.486 576 1HB LEU 75 HB2 LEU 75 6.659 14.706 -3.514 577 2HB LEU 75 HB1 LEU 75 7.264 15.634 -2.157 578 HG LEU 75 HG LEU 75 7.898 13.441 -1.683 579 1HD1 LEU 75 HD11 LEU 75 5.288 13.475 -0.228 580 2HD1 LEU 75 HD12 LEU 75 6.520 14.689 0.114 581 3HD1 LEU 75 HD13 LEU 75 6.879 12.978 0.345 582 1HD2 LEU 75 HD21 LEU 75 6.563 11.499 -1.974 583 2HD2 LEU 75 HD22 LEU 75 6.444 12.447 -3.457 584 3HD2 LEU 75 HD23 LEU 75 5.122 12.464 -2.291 585 H GLN 76 HN GLN 76 3.587 16.734 -0.706 586 HA GLN 76 HA GLN 76 4.337 19.362 -1.333 587 1HB GLN 76 HB2 GLN 76 2.285 18.157 0.089 588 2HB GLN 76 HB1 GLN 76 3.141 19.081 1.315 589 1HG GLN 76 HG2 GLN 76 1.907 20.109 -1.225 590 2HG GLN 76 HG1 GLN 76 1.407 20.446 0.431 591 1HE2 GLN 76 HE21 GLN 76 3.719 21.124 -2.063 592 2HE2 GLN 76 HE22 GLN 76 4.437 22.502 -1.309 593 H GLY 77 HN GLY 77 6.727 18.880 -1.078 594 1HA GLY 77 HA2 GLY 77 8.705 19.277 0.019 595 2HA GLY 77 HA1 GLY 77 7.765 20.297 1.097 596 H GLY 78 HN GLY 78 6.982 16.927 0.806 597 1HA GLY 78 HA2 GLY 78 8.352 16.400 3.367 598 2HA GLY 78 HA1 GLY 78 6.670 15.949 3.130 599 H LYS 79 HN LYS 79 9.471 15.665 0.970 600 HA LYS 79 HA LYS 79 8.795 13.186 -0.070 601 1HB LYS 79 HB2 LYS 79 10.710 14.982 -0.629 602 2HB LYS 79 HB1 LYS 79 11.685 13.781 0.206 603 1HG LYS 79 HG2 LYS 79 9.837 12.861 -1.931 604 2HG LYS 79 HG1 LYS 79 11.322 13.695 -2.396 605 1HD LYS 79 HD2 LYS 79 12.552 11.887 -1.966 606 2HD LYS 79 HD1 LYS 79 11.845 11.717 -0.359 607 1HE LYS 79 HE2 LYS 79 11.404 9.721 -1.625 608 2HE LYS 79 HE1 LYS 79 9.892 10.595 -1.386 609 1HZ LYS 79 HZ1 LYS 79 9.686 10.252 -3.582 610 2HZ LYS 79 HZ2 LYS 79 11.346 10.046 -3.834 611 3HZ LYS 79 HZ3 LYS 79 10.697 11.603 -3.716 612 H HIS 80 HN HIS 80 10.531 13.978 2.859 613 HA HIS 80 HA HIS 80 11.707 11.511 3.398 614 1HB HIS 80 HB2 HIS 80 11.623 12.220 5.796 615 2HB HIS 80 HB1 HIS 80 12.290 13.441 4.717 616 HD1 HIS 80 HD1 HIS 80 10.812 15.551 4.263 617 HD2 HIS 80 HD2 HIS 80 9.287 12.936 7.109 618 HE1 HIS 80 HE1 HIS 80 9.006 16.833 5.453 619 HE2 HIS 80 HE2 HIS 80 8.156 15.260 7.228 620 H THR 81 HN THR 81 8.410 12.600 3.838 621 HA THR 81 HA THR 81 7.547 10.441 5.466 622 HB THR 81 HB THR 81 6.229 12.545 3.808 623 HG1 THR 81 HG1 THR 81 5.848 11.699 6.486 624 1HG2 THR 81 HG21 THR 81 4.041 11.434 4.891 625 2HG2 THR 81 HG22 THR 81 4.950 9.975 4.477 626 3HG2 THR 81 HG23 THR 81 4.559 11.162 3.224 627 H VAL 82 HN VAL 82 6.529 11.093 2.153 628 HA VAL 82 HA VAL 82 5.696 8.545 1.491 629 HB VAL 82 HB VAL 82 7.021 10.466 -0.426 630 1HG1 VAL 82 HG11 VAL 82 5.186 8.118 -0.732 631 2HG1 VAL 82 HG12 VAL 82 6.694 8.469 -1.576 632 3HG1 VAL 82 HG13 VAL 82 5.237 9.390 -1.950 633 1HG2 VAL 82 HG21 VAL 82 4.217 10.386 0.654 634 2HG2 VAL 82 HG22 VAL 82 4.669 11.265 -0.806 635 3HG2 VAL 82 HG23 VAL 82 5.371 11.712 0.746 636 H HIS 83 HN HIS 83 8.975 9.936 1.189 637 HA HIS 83 HA HIS 83 10.205 7.919 -0.227 638 1HB HIS 83 HB2 HIS 83 11.377 9.965 0.470 639 2HB HIS 83 HB1 HIS 83 11.343 9.424 2.145 640 HD1 HIS 83 HD1 HIS 83 12.405 7.559 -1.000 641 HD2 HIS 83 HD2 HIS 83 13.906 8.746 2.689 642 HE1 HIS 83 HE1 HIS 83 14.713 6.573 -0.865 643 HE2 HIS 83 HE2 HIS 83 15.634 7.372 1.340 644 H HIS 84 HN HIS 84 9.394 8.047 3.195 645 HA HIS 84 HA HIS 84 10.542 5.480 3.777 646 1HB HIS 84 HB2 HIS 84 10.371 7.205 5.515 647 2HB HIS 84 HB1 HIS 84 8.616 7.180 5.380 648 HD1 HIS 84 HD1 HIS 84 11.364 4.647 6.130 649 HD2 HIS 84 HD2 HIS 84 7.484 5.615 7.260 650 HE1 HIS 84 HE1 HIS 84 10.769 3.018 7.950 651 HE2 HIS 84 HE2 HIS 84 8.383 3.562 8.551 652 H ILE 85 HN ILE 85 7.452 6.674 2.708 653 HA ILE 85 HA ILE 85 6.105 4.189 3.322 654 HB ILE 85 HB ILE 85 4.159 5.271 3.114 655 1HG1 ILE 85 HG12 ILE 85 4.860 7.053 0.840 656 2HG1 ILE 85 HG11 ILE 85 4.601 5.342 0.532 657 1HG2 ILE 85 HG21 ILE 85 4.262 7.750 3.238 658 2HG2 ILE 85 HG22 ILE 85 6.002 7.595 3.033 659 3HG2 ILE 85 HG23 ILE 85 5.219 6.865 4.428 660 1HD1 ILE 85 HD11 ILE 85 2.380 5.467 0.895 661 2HD1 ILE 85 HD12 ILE 85 2.640 7.153 0.455 662 3HD1 ILE 85 HD13 ILE 85 2.542 6.690 2.153 663 H GLU 86 HN GLU 86 7.521 5.749 0.529 664 HA GLU 86 HA GLU 86 6.440 3.891 -1.375 665 1HB GLU 86 HB2 GLU 86 8.306 4.869 -2.849 666 2HB GLU 86 HB1 GLU 86 7.038 5.962 -2.316 667 1HG GLU 86 HG2 GLU 86 8.480 7.271 -1.283 668 2HG GLU 86 HG1 GLU 86 9.231 5.910 -0.454 669 H GLN 87 HN GLN 87 9.568 4.273 0.287 670 HA GLN 87 HA GLN 87 10.853 2.070 -0.898 671 1HB GLN 87 HB2 GLN 87 11.381 3.909 1.228 672 2HB GLN 87 HB1 GLN 87 11.661 2.286 1.836 673 1HG GLN 87 HG2 GLN 87 13.655 3.441 0.869 674 2HG GLN 87 HG1 GLN 87 13.300 1.851 0.194 675 1HE2 GLN 87 HE21 GLN 87 11.727 4.927 -0.499 676 2HE2 GLN 87 HE22 GLN 87 12.159 4.981 -2.171 677 H ASN 88 HN ASN 88 8.495 2.406 1.605 678 HA ASN 88 HA ASN 88 8.682 -0.321 2.517 679 1HB ASN 88 HB2 ASN 88 7.881 0.756 4.332 680 2HB ASN 88 HB1 ASN 88 7.393 2.153 3.378 681 1HD2 ASN 88 HD21 ASN 88 5.329 2.251 2.537 682 2HD2 ASN 88 HD22 ASN 88 4.052 1.239 3.112 683 H ILE 89 HN ILE 89 6.112 1.633 0.979 684 HA ILE 89 HA ILE 89 4.424 -0.520 0.413 685 HB ILE 89 HB ILE 89 4.408 2.294 -0.124 686 1HG1 ILE 89 HG12 ILE 89 1.944 0.886 -0.680 687 2HG1 ILE 89 HG11 ILE 89 2.725 0.259 0.771 688 1HG2 ILE 89 HG21 ILE 89 4.831 1.820 -2.453 689 2HG2 ILE 89 HG22 ILE 89 3.141 2.281 -2.254 690 3HG2 ILE 89 HG23 ILE 89 3.569 0.588 -2.468 691 1HD1 ILE 89 HD11 ILE 89 1.264 2.717 0.388 692 2HD1 ILE 89 HD12 ILE 89 2.882 3.037 1.014 693 3HD1 ILE 89 HD13 ILE 89 1.799 1.947 1.881 694 H LYS 90 HN LYS 90 6.819 1.091 -1.676 695 HA LYS 90 HA LYS 90 6.288 -0.518 -3.901 696 1HB LYS 90 HB2 LYS 90 8.852 0.885 -3.113 697 2HB LYS 90 HB1 LYS 90 8.579 0.137 -4.680 698 1HG LYS 90 HG2 LYS 90 6.594 2.135 -3.763 699 2HG LYS 90 HG1 LYS 90 8.187 2.721 -4.250 700 1HD LYS 90 HD2 LYS 90 6.686 0.806 -5.993 701 2HD LYS 90 HD1 LYS 90 6.296 2.527 -6.023 702 1HE LYS 90 HE2 LYS 90 7.879 2.479 -7.662 703 2HE LYS 90 HE1 LYS 90 8.921 2.744 -6.264 704 1HZ LYS 90 HZ1 LYS 90 8.359 -0.030 -6.922 705 2HZ LYS 90 HZ2 LYS 90 9.804 0.694 -6.425 706 3HZ LYS 90 HZ3 LYS 90 9.315 0.810 -8.040 707 H GLU 91 HN GLU 91 8.125 -1.042 -1.017 708 HA GLU 91 HA GLU 91 9.306 -3.500 -2.041 709 1HB GLU 91 HB2 GLU 91 10.543 -1.873 -0.519 710 2HB GLU 91 HB1 GLU 91 9.493 -2.434 0.775 711 1HG GLU 91 HG2 GLU 91 11.045 -3.974 1.158 712 2HG GLU 91 HG1 GLU 91 10.441 -4.775 -0.292 713 H ILE 92 HN ILE 92 6.376 -2.591 -0.866 714 HA ILE 92 HA ILE 92 5.838 -4.779 0.894 715 HB ILE 92 HB ILE 92 4.466 -2.374 0.080 716 1HG1 ILE 92 HG12 ILE 92 3.437 -2.598 2.259 717 2HG1 ILE 92 HG11 ILE 92 3.907 -4.292 2.344 718 1HG2 ILE 92 HG21 ILE 92 3.031 -3.847 -1.218 719 2HG2 ILE 92 HG22 ILE 92 2.168 -3.198 0.177 720 3HG2 ILE 92 HG23 ILE 92 2.769 -4.856 0.205 721 1HD1 ILE 92 HD11 ILE 92 5.528 -3.358 3.634 722 2HD1 ILE 92 HD12 ILE 92 5.535 -1.846 2.724 723 3HD1 ILE 92 HD13 ILE 92 6.320 -3.278 2.060 724 H PHE 93 HN PHE 93 5.170 -3.911 -2.458 725 HA PHE 93 HA PHE 93 3.560 -6.070 -3.173 726 1HB PHE 93 HB2 PHE 93 3.793 -5.298 -5.308 727 2HB PHE 93 HB1 PHE 93 4.526 -3.916 -4.498 728 HD1 PHE 93 HD1 PHE 93 7.126 -4.549 -3.841 729 HD2 PHE 93 HD2 PHE 93 4.923 -5.911 -7.213 730 HE1 PHE 93 HE1 PHE 93 9.225 -4.975 -5.031 731 HE2 PHE 93 HE2 PHE 93 7.023 -6.329 -8.420 732 HZ PHE 93 HZ PHE 93 9.185 -5.860 -7.334 733 H HIS 94 HN HIS 94 6.983 -5.864 -2.589 734 HA HIS 94 HA HIS 94 7.843 -8.165 -3.954 735 1HB HIS 94 HB2 HIS 94 9.212 -6.264 -2.795 736 2HB HIS 94 HB1 HIS 94 9.097 -7.291 -1.369 737 HD1 HIS 94 HD1 HIS 94 10.398 -7.411 -4.927 738 HD2 HIS 94 HD2 HIS 94 10.931 -9.309 -1.270 739 HE1 HIS 94 HE1 HIS 94 12.363 -8.947 -5.248 740 HE2 HIS 94 HE2 HIS 94 12.720 -10.020 -2.996 741 H HIS 95 HN HIS 95 7.348 -7.789 -0.448 742 HA HIS 95 HA HIS 95 7.339 -10.561 0.072 743 1HB HIS 95 HB2 HIS 95 6.581 -8.108 1.588 744 2HB HIS 95 HB1 HIS 95 5.982 -9.653 2.183 745 HD1 HIS 95 HD1 HIS 95 7.508 -10.842 3.725 746 HD2 HIS 95 HD2 HIS 95 9.549 -8.175 1.277 747 HE1 HIS 95 HE1 HIS 95 9.898 -10.910 4.504 748 HE2 HIS 95 HE2 HIS 95 11.093 -9.212 3.075 749 H LEU 96 HN LEU 96 5.090 -8.617 -1.508 750 HA LEU 96 HA LEU 96 2.763 -10.155 -0.672 751 1HB LEU 96 HB2 LEU 96 3.199 -7.812 -2.495 752 2HB LEU 96 HB1 LEU 96 1.673 -8.677 -2.488 753 HG LEU 96 HG LEU 96 2.931 -7.279 -0.146 754 1HD1 LEU 96 HD11 LEU 96 0.551 -6.595 -1.862 755 2HD1 LEU 96 HD12 LEU 96 2.066 -5.702 -1.749 756 3HD1 LEU 96 HD13 LEU 96 0.975 -5.769 -0.364 757 1HD2 LEU 96 HD21 LEU 96 1.494 -8.285 1.219 758 2HD2 LEU 96 HD22 LEU 96 1.150 -9.408 -0.099 759 3HD2 LEU 96 HD23 LEU 96 0.142 -7.981 0.128 760 H GLU 97 HN GLU 97 4.206 -9.317 -3.819 761 HA GLU 97 HA GLU 97 2.937 -11.411 -5.217 762 1HB GLU 97 HB2 GLU 97 5.231 -9.575 -5.783 763 2HB GLU 97 HB1 GLU 97 4.971 -10.958 -6.837 764 1HG GLU 97 HG2 GLU 97 2.483 -9.972 -6.782 765 2HG GLU 97 HG1 GLU 97 3.397 -8.487 -6.523 766 H GLU 98 HN GLU 98 5.497 -11.407 -2.994 767 HA GLU 98 HA GLU 98 6.818 -13.758 -4.076 768 1HB GLU 98 HB2 GLU 98 7.226 -12.059 -1.630 769 2HB GLU 98 HB1 GLU 98 8.032 -13.612 -1.793 770 1HG GLU 98 HG2 GLU 98 8.312 -11.926 -4.150 771 2HG GLU 98 HG1 GLU 98 8.979 -11.201 -2.687 772 H LEU 99 HN LEU 99 4.389 -12.961 -1.724 773 HA LEU 99 HA LEU 99 4.414 -15.320 -0.198 774 1HB LEU 99 HB2 LEU 99 3.222 -13.228 0.407 775 2HB LEU 99 HB1 LEU 99 2.056 -13.557 -0.859 776 HG LEU 99 HG LEU 99 1.602 -15.762 0.382 777 1HD1 LEU 99 HD11 LEU 99 3.701 -14.831 1.963 778 2HD1 LEU 99 HD12 LEU 99 2.639 -16.195 2.296 779 3HD1 LEU 99 HD13 LEU 99 2.251 -14.604 2.938 780 1HD2 LEU 99 HD21 LEU 99 0.191 -14.467 2.110 781 2HD2 LEU 99 HD22 LEU 99 -0.119 -14.199 0.394 782 3HD2 LEU 99 HD23 LEU 99 0.821 -13.025 1.314 783 H VAL 100 HN VAL 100 2.343 -14.404 -2.949 784 HA VAL 100 HA VAL 100 1.134 -16.975 -3.153 785 HB VAL 100 HB VAL 100 1.257 -14.820 -5.265 786 1HG1 VAL 100 HG11 VAL 100 -0.210 -17.374 -4.977 787 2HG1 VAL 100 HG12 VAL 100 0.373 -16.556 -6.426 788 3HG1 VAL 100 HG13 VAL 100 -1.106 -16.004 -5.636 789 1HG2 VAL 100 HG21 VAL 100 -0.684 -13.856 -4.357 790 2HG2 VAL 100 HG22 VAL 100 0.372 -14.137 -2.972 791 3HG2 VAL 100 HG23 VAL 100 -0.972 -15.233 -3.293 792 H HIS 101 HN HIS 101 3.994 -15.518 -4.495 793 HA HIS 101 HA HIS 101 4.340 -17.699 -6.405 794 1HB HIS 101 HB2 HIS 101 5.883 -15.149 -5.929 795 2HB HIS 101 HB1 HIS 101 6.385 -16.380 -7.082 796 HD1 HIS 101 HD1 HIS 101 2.748 -15.819 -6.885 797 HD2 HIS 101 HD2 HIS 101 5.959 -14.380 -9.095 798 HE1 HIS 101 HE1 HIS 101 1.730 -14.632 -8.855 799 HE2 HIS 101 HE2 HIS 101 3.690 -13.702 -10.135 800 H ARG 102 HN ARG 102 4.472 -18.280 -3.579 801 HA ARG 102 HA ARG 102 7.312 -19.023 -3.322 802 1HB ARG 102 HB2 ARG 102 5.825 -17.575 -1.541 803 2HB ARG 102 HB1 ARG 102 5.640 -19.204 -0.908 804 1HG ARG 102 HG2 ARG 102 7.770 -19.316 -0.212 805 2HG ARG 102 HG1 ARG 102 8.387 -18.461 -1.627 806 1HD ARG 102 HD2 ARG 102 7.690 -16.341 -0.691 807 2HD ARG 102 HD1 ARG 102 6.954 -17.161 0.686 808 HE ARG 102 HE ARG 102 9.740 -17.754 0.402 809 1HH1 ARG 102 HH11 ARG 102 7.458 -15.426 1.649 810 2HH1 ARG 102 HH12 ARG 102 8.548 -14.813 2.846 811 1HH2 ARG 102 HH21 ARG 102 11.174 -16.949 1.976 812 2HH2 ARG 102 HH22 ARG 102 10.658 -15.676 3.032 Start of MODEL 12 1 1H MET 1 HT1 MET 1 0.199 -23.080 6.002 2 2H MET 1 HT2 MET 1 1.245 -21.743 6.253 3 3H MET 1 HT3 MET 1 0.790 -22.191 4.661 4 HA MET 1 HA MET 1 -1.451 -21.616 5.078 5 1HB MET 1 HB2 MET 1 -0.833 -22.132 7.675 6 2HB MET 1 HB1 MET 1 -0.832 -20.374 7.687 7 1HG MET 1 HG2 MET 1 -3.042 -20.299 7.679 8 2HG MET 1 HG1 MET 1 -3.131 -21.365 6.278 9 1HE MET 1 HE1 MET 1 -3.766 -23.370 6.116 10 2HE MET 1 HE2 MET 1 -4.688 -24.271 7.320 11 3HE MET 1 HE3 MET 1 -2.963 -24.583 7.114 12 H TYR 2 HN TYR 2 -0.958 -20.173 3.457 13 HA TYR 2 HA TYR 2 0.695 -17.869 3.924 14 1HB TYR 2 HB2 TYR 2 -1.125 -18.522 1.595 15 2HB TYR 2 HB1 TYR 2 0.073 -17.232 1.629 16 HD1 TYR 2 HD1 TYR 2 2.327 -17.662 1.086 17 HD2 TYR 2 HD2 TYR 2 -0.330 -20.918 1.747 18 HE1 TYR 2 HE1 TYR 2 4.034 -19.219 0.243 19 HE2 TYR 2 HE2 TYR 2 1.368 -22.483 0.908 20 HH TYR 2 HH TYR 2 3.356 -22.422 -0.578 21 H GLY 3 HN GLY 3 0.051 -16.088 4.933 22 1HA GLY 3 HA2 GLY 3 -2.214 -14.602 4.307 23 2HA GLY 3 HA1 GLY 3 -2.645 -15.619 5.673 24 H LYS 4 HN LYS 4 0.071 -15.534 6.800 25 HA LYS 4 HA LYS 4 -0.239 -13.323 8.493 26 1HB LYS 4 HB2 LYS 4 1.105 -15.409 8.975 27 2HB LYS 4 HB1 LYS 4 2.363 -14.755 7.933 28 1HG LYS 4 HG2 LYS 4 3.106 -14.114 10.002 29 2HG LYS 4 HG1 LYS 4 2.201 -12.684 9.503 30 1HD LYS 4 HD2 LYS 4 0.317 -13.332 10.833 31 2HD LYS 4 HD1 LYS 4 1.045 -14.899 11.189 32 1HE LYS 4 HE2 LYS 4 2.982 -13.200 12.054 33 2HE LYS 4 HE1 LYS 4 1.526 -12.268 12.401 34 1HZ LYS 4 HZ1 LYS 4 0.761 -14.562 13.388 35 2HZ LYS 4 HZ2 LYS 4 1.689 -13.482 14.300 36 3HZ LYS 4 HZ3 LYS 4 2.428 -14.805 13.547 37 H LEU 5 HN LEU 5 1.008 -13.472 5.321 38 HA LEU 5 HA LEU 5 2.908 -11.465 5.298 39 1HB LEU 5 HB2 LEU 5 1.521 -12.888 3.381 40 2HB LEU 5 HB1 LEU 5 0.984 -11.243 3.103 41 HG LEU 5 HG LEU 5 2.851 -11.642 1.674 42 1HD1 LEU 5 HD11 LEU 5 2.695 -9.527 3.288 43 2HD1 LEU 5 HD12 LEU 5 4.004 -9.739 2.127 44 3HD1 LEU 5 HD13 LEU 5 4.251 -10.160 3.821 45 1HD2 LEU 5 HD21 LEU 5 3.689 -13.427 3.565 46 2HD2 LEU 5 HD22 LEU 5 4.849 -12.113 3.763 47 3HD2 LEU 5 HD23 LEU 5 4.648 -12.883 2.189 48 H ASN 6 HN ASN 6 -0.490 -11.331 5.905 49 HA ASN 6 HA ASN 6 -1.043 -8.675 5.349 50 1HB ASN 6 HB2 ASN 6 -2.819 -8.904 7.119 51 2HB ASN 6 HB1 ASN 6 -2.865 -10.112 5.839 52 1HD2 ASN 6 HD21 ASN 6 -4.210 -10.888 7.865 53 2HD2 ASN 6 HD22 ASN 6 -3.363 -12.002 8.879 54 H ASP 7 HN ASP 7 0.343 -10.171 8.226 55 HA ASP 7 HA ASP 7 0.349 -8.036 9.975 56 1HB ASP 7 HB2 ASP 7 1.179 -10.388 10.425 57 2HB ASP 7 HB1 ASP 7 2.682 -9.928 9.628 58 H LEU 8 HN LEU 8 2.291 -8.610 7.151 59 HA LEU 8 HA LEU 8 4.085 -6.395 7.678 60 1HB LEU 8 HB2 LEU 8 4.982 -8.340 6.555 61 2HB LEU 8 HB1 LEU 8 3.753 -8.239 5.310 62 HG LEU 8 HG LEU 8 6.089 -7.454 4.691 63 1HD1 LEU 8 HD11 LEU 8 5.176 -6.245 3.047 64 2HD1 LEU 8 HD12 LEU 8 4.366 -5.147 4.165 65 3HD1 LEU 8 HD13 LEU 8 3.643 -6.711 3.786 66 1HD2 LEU 8 HD21 LEU 8 6.542 -5.063 5.293 67 2HD2 LEU 8 HD22 LEU 8 6.710 -6.211 6.620 68 3HD2 LEU 8 HD23 LEU 8 5.272 -5.198 6.508 69 H LEU 9 HN LEU 9 1.187 -7.090 5.856 70 HA LEU 9 HA LEU 9 1.241 -4.886 4.107 71 1HB LEU 9 HB2 LEU 9 -0.887 -6.692 5.169 72 2HB LEU 9 HB1 LEU 9 -1.364 -5.242 4.304 73 HG LEU 9 HG LEU 9 0.532 -7.260 3.123 74 1HD1 LEU 9 HD11 LEU 9 -2.243 -7.255 2.177 75 2HD1 LEU 9 HD12 LEU 9 -2.017 -7.898 3.805 76 3HD1 LEU 9 HD13 LEU 9 -1.134 -8.600 2.449 77 1HD2 LEU 9 HD21 LEU 9 -0.759 -6.130 1.066 78 2HD2 LEU 9 HD22 LEU 9 0.730 -5.475 1.748 79 3HD2 LEU 9 HD23 LEU 9 -0.829 -4.799 2.219 80 H GLU 10 HN GLU 10 0.184 -5.266 7.431 81 HA GLU 10 HA GLU 10 -1.331 -2.979 7.791 82 1HB GLU 10 HB2 GLU 10 -0.331 -4.974 9.420 83 2HB GLU 10 HB1 GLU 10 0.445 -3.526 10.047 84 1HG GLU 10 HG2 GLU 10 -1.476 -3.613 11.296 85 2HG GLU 10 HG1 GLU 10 -1.951 -2.531 9.988 86 H ASP 11 HN ASP 11 2.190 -3.344 7.921 87 HA ASP 11 HA ASP 11 2.894 -0.835 8.854 88 1HB ASP 11 HB2 ASP 11 4.216 -3.039 7.640 89 2HB ASP 11 HB1 ASP 11 4.736 -1.586 6.792 90 H LEU 12 HN LEU 12 2.292 -1.847 5.510 91 HA LEU 12 HA LEU 12 2.872 0.567 4.261 92 1HB LEU 12 HB2 LEU 12 2.488 -0.700 2.478 93 2HB LEU 12 HB1 LEU 12 1.875 -1.963 3.518 94 HG LEU 12 HG LEU 12 -0.146 0.072 2.896 95 1HD1 LEU 12 HD11 LEU 12 1.446 -1.108 0.730 96 2HD1 LEU 12 HD12 LEU 12 0.454 0.350 0.757 97 3HD1 LEU 12 HD13 LEU 12 -0.304 -1.228 0.553 98 1HD2 LEU 12 HD21 LEU 12 -1.116 -2.283 2.035 99 2HD2 LEU 12 HD22 LEU 12 -1.158 -1.772 3.721 100 3HD2 LEU 12 HD23 LEU 12 0.118 -2.851 3.158 101 H GLN 13 HN GLN 13 -0.360 -0.704 5.080 102 HA GLN 13 HA GLN 13 -1.815 1.553 4.437 103 1HB GLN 13 HB2 GLN 13 -2.768 -0.671 5.054 104 2HB GLN 13 HB1 GLN 13 -2.408 -0.321 6.739 105 1HG GLN 13 HG2 GLN 13 -3.836 1.887 5.944 106 2HG GLN 13 HG1 GLN 13 -4.616 0.570 5.071 107 1HE2 GLN 13 HE21 GLN 13 -4.203 -1.474 6.937 108 2HE2 GLN 13 HE22 GLN 13 -5.171 -1.145 8.330 109 H GLU 14 HN GLU 14 -0.022 0.842 7.380 110 HA GLU 14 HA GLU 14 -0.975 3.172 8.777 111 1HB GLU 14 HB2 GLU 14 -0.156 1.047 9.888 112 2HB GLU 14 HB1 GLU 14 1.471 1.514 9.412 113 1HG GLU 14 HG2 GLU 14 1.593 2.566 11.360 114 2HG GLU 14 HG1 GLU 14 0.511 3.769 10.662 115 H VAL 15 HN VAL 15 1.669 2.353 6.674 116 HA VAL 15 HA VAL 15 3.309 4.566 7.266 117 HB VAL 15 HB VAL 15 3.759 2.392 5.828 118 1HG1 VAL 15 HG11 VAL 15 2.429 4.128 3.906 119 2HG1 VAL 15 HG12 VAL 15 2.832 2.419 3.803 120 3HG1 VAL 15 HG13 VAL 15 4.036 3.629 3.389 121 1HG2 VAL 15 HG21 VAL 15 5.091 4.987 5.110 122 2HG2 VAL 15 HG22 VAL 15 5.788 3.362 5.108 123 3HG2 VAL 15 HG23 VAL 15 5.348 4.131 6.632 124 H LEU 16 HN LEU 16 0.420 4.171 5.406 125 HA LEU 16 HA LEU 16 0.603 6.471 3.787 126 1HB LEU 16 HB2 LEU 16 -1.693 4.829 4.810 127 2HB LEU 16 HB1 LEU 16 -1.991 6.312 3.926 128 HG LEU 16 HG LEU 16 -2.170 4.623 2.316 129 1HD1 LEU 16 HD11 LEU 16 -0.359 4.983 0.781 130 2HD1 LEU 16 HD12 LEU 16 0.696 5.523 2.087 131 3HD1 LEU 16 HD13 LEU 16 -0.703 6.493 1.626 132 1HD2 LEU 16 HD21 LEU 16 -0.826 3.050 3.996 133 2HD2 LEU 16 HD22 LEU 16 0.449 3.358 2.817 134 3HD2 LEU 16 HD23 LEU 16 -1.081 2.647 2.300 135 H LYS 17 HN LYS 17 -0.455 5.921 7.094 136 HA LYS 17 HA LYS 17 -1.801 8.189 7.763 137 1HB LYS 17 HB2 LYS 17 -1.273 6.400 9.365 138 2HB LYS 17 HB1 LYS 17 0.409 6.912 9.385 139 1HG LYS 17 HG2 LYS 17 -0.889 9.225 10.023 140 2HG LYS 17 HG1 LYS 17 -1.908 8.005 10.788 141 1HD LYS 17 HD2 LYS 17 -0.416 8.290 12.476 142 2HD LYS 17 HD1 LYS 17 0.480 7.085 11.548 143 1HE LYS 17 HE2 LYS 17 1.500 9.125 10.333 144 2HE LYS 17 HE1 LYS 17 0.909 10.046 11.715 145 1HZ LYS 17 HZ1 LYS 17 2.138 8.142 13.016 146 2HZ LYS 17 HZ2 LYS 17 2.975 9.499 12.450 147 3HZ LYS 17 HZ3 LYS 17 3.041 8.046 11.587 148 H ASN 18 HN ASN 18 1.608 7.840 7.128 149 HA ASN 18 HA ASN 18 2.288 10.544 7.880 150 1HB ASN 18 HB2 ASN 18 3.708 8.156 7.251 151 2HB ASN 18 HB1 ASN 18 4.240 9.397 6.119 152 1HD2 ASN 18 HD21 ASN 18 5.928 10.489 6.778 153 2HD2 ASN 18 HD22 ASN 18 6.346 10.845 8.416 154 H LEU 19 HN LEU 19 1.990 8.742 4.854 155 HA LEU 19 HA LEU 19 2.596 10.651 2.999 156 1HB LEU 19 HB2 LEU 19 2.138 8.827 1.806 157 2HB LEU 19 HB1 LEU 19 1.146 8.167 3.083 158 HG LEU 19 HG LEU 19 -0.028 10.249 1.293 159 1HD1 LEU 19 HD11 LEU 19 0.641 7.438 0.551 160 2HD1 LEU 19 HD12 LEU 19 0.734 8.907 -0.414 161 3HD1 LEU 19 HD13 LEU 19 -0.833 8.184 -0.064 162 1HD2 LEU 19 HD21 LEU 19 -0.916 8.292 3.250 163 2HD2 LEU 19 HD22 LEU 19 -1.839 8.243 1.757 164 3HD2 LEU 19 HD23 LEU 19 -1.709 9.749 2.661 165 H HIS 20 HN HIS 20 -0.522 10.193 4.621 166 HA HIS 20 HA HIS 20 -2.111 11.952 3.242 167 1HB HIS 20 HB2 HIS 20 -2.059 11.529 6.237 168 2HB HIS 20 HB1 HIS 20 -3.388 12.245 5.337 169 HD1 HIS 20 HD1 HIS 20 -3.073 9.420 7.062 170 HD2 HIS 20 HD2 HIS 20 -3.705 9.987 3.003 171 HE1 HIS 20 HE1 HIS 20 -4.129 7.290 6.246 172 HE2 HIS 20 HE2 HIS 20 -4.614 7.705 3.810 173 H LYS 21 HN LYS 21 0.310 12.714 5.682 174 HA LYS 21 HA LYS 21 -0.411 15.526 5.658 175 1HB LYS 21 HB2 LYS 21 1.939 14.341 7.100 176 2HB LYS 21 HB1 LYS 21 1.009 15.779 7.505 177 1HG LYS 21 HG2 LYS 21 -0.086 12.982 7.599 178 2HG LYS 21 HG1 LYS 21 0.599 13.828 8.988 179 1HD LYS 21 HD2 LYS 21 -1.670 14.254 9.225 180 2HD LYS 21 HD1 LYS 21 -1.105 15.692 8.375 181 1HE LYS 21 HE2 LYS 21 -2.155 15.115 6.420 182 2HE LYS 21 HE1 LYS 21 -2.027 13.389 6.743 183 1HZ LYS 21 HZ1 LYS 21 -3.712 14.772 8.614 184 2HZ LYS 21 HZ2 LYS 21 -4.009 13.360 7.731 185 3HZ LYS 21 HZ3 LYS 21 -4.270 14.873 7.019 186 H ASN 22 HN ASN 22 1.282 13.768 3.520 187 HA ASN 22 HA ASN 22 2.835 16.098 2.754 188 1HB ASN 22 HB2 ASN 22 4.050 13.484 3.553 189 2HB ASN 22 HB1 ASN 22 4.828 14.466 2.314 190 1HD2 ASN 22 HD21 ASN 22 4.543 16.975 3.137 191 2HD2 ASN 22 HD22 ASN 22 5.291 17.223 4.674 192 H TRP 23 HN TRP 23 0.554 14.285 1.759 193 HA TRP 23 HA TRP 23 1.690 13.348 -0.746 194 1HB TRP 23 HB2 TRP 23 -0.132 12.022 -0.944 195 2HB TRP 23 HB1 TRP 23 -0.331 12.360 0.769 196 HD1 TRP 23 HD1 TRP 23 -2.551 13.424 1.448 197 HE1 TRP 23 HE1 TRP 23 -4.553 14.449 0.237 198 HE3 TRP 23 HE3 TRP 23 -0.653 13.359 -3.239 199 HZ2 TRP 23 HZ2 TRP 23 -5.245 15.108 -2.459 200 HZ3 TRP 23 HZ3 TRP 23 -2.026 14.162 -5.091 201 HH2 TRP 23 HH2 TRP 23 -4.285 15.029 -4.719 202 H HIS 24 HN HIS 24 -0.844 15.667 0.263 203 HA HIS 24 HA HIS 24 -0.030 17.684 -1.472 204 1HB HIS 24 HB2 HIS 24 -0.788 16.027 -3.210 205 2HB HIS 24 HB1 HIS 24 -2.418 16.239 -2.590 206 HD1 HIS 24 HD1 HIS 24 -2.126 17.014 -5.427 207 HD2 HIS 24 HD2 HIS 24 -1.274 19.649 -2.327 208 HE1 HIS 24 HE1 HIS 24 -2.308 19.313 -6.433 209 HE2 HIS 24 HE2 HIS 24 -1.873 20.894 -4.519 210 H GLY 25 HN GLY 25 -0.775 17.877 1.054 211 1HA GLY 25 HA2 GLY 25 -2.018 19.259 2.397 212 2HA GLY 25 HA1 GLY 25 -2.818 19.831 0.951 213 H GLY 26 HN GLY 26 -3.316 18.510 3.843 214 1HA GLY 26 HA2 GLY 26 -5.101 17.567 4.886 215 2HA GLY 26 HA1 GLY 26 -6.036 18.130 3.515 216 H LYS 27 HN LYS 27 -5.664 15.589 5.295 217 HA LYS 27 HA LYS 27 -5.156 13.466 3.476 218 1HB LYS 27 HB2 LYS 27 -4.975 13.173 5.907 219 2HB LYS 27 HB1 LYS 27 -6.695 13.486 6.083 220 1HG LYS 27 HG2 LYS 27 -7.164 11.476 4.727 221 2HG LYS 27 HG1 LYS 27 -5.433 11.143 4.680 222 1HD LYS 27 HD2 LYS 27 -5.792 9.940 6.536 223 2HD LYS 27 HD1 LYS 27 -5.891 11.498 7.359 224 1HE LYS 27 HE2 LYS 27 -8.420 11.238 6.393 225 2HE LYS 27 HE1 LYS 27 -7.999 9.557 6.718 226 1HZ LYS 27 HZ1 LYS 27 -8.700 10.087 8.771 227 2HZ LYS 27 HZ2 LYS 27 -8.444 11.746 8.568 228 3HZ LYS 27 HZ3 LYS 27 -7.146 10.731 8.950 229 H ASP 28 HN ASP 28 -7.768 15.590 3.903 230 HA ASP 28 HA ASP 28 -10.045 14.170 3.435 231 1HB ASP 28 HB2 ASP 28 -9.392 16.828 3.459 232 2HB ASP 28 HB1 ASP 28 -9.860 16.591 1.778 233 H ASN 29 HN ASN 29 -7.748 15.319 0.944 234 HA ASN 29 HA ASN 29 -9.259 14.082 -1.166 235 1HB ASN 29 HB2 ASN 29 -6.582 15.431 -1.017 236 2HB ASN 29 HB1 ASN 29 -7.068 14.558 -2.467 237 1HD2 ASN 29 HD21 ASN 29 -8.535 16.845 -0.179 238 2HD2 ASN 29 HD22 ASN 29 -9.218 17.874 -1.387 239 H LEU 30 HN LEU 30 -6.215 13.299 0.515 240 HA LEU 30 HA LEU 30 -5.607 10.973 -0.920 241 1HB LEU 30 HB2 LEU 30 -4.348 12.311 1.017 242 2HB LEU 30 HB1 LEU 30 -5.040 11.042 1.997 243 HG LEU 30 HG LEU 30 -2.742 10.520 1.335 244 1HD1 LEU 30 HD11 LEU 30 -4.270 8.687 1.736 245 2HD1 LEU 30 HD12 LEU 30 -3.155 8.279 0.431 246 3HD1 LEU 30 HD13 LEU 30 -4.805 8.753 0.062 247 1HD2 LEU 30 HD21 LEU 30 -3.428 9.959 -1.466 248 2HD2 LEU 30 HD22 LEU 30 -1.928 10.564 -0.763 249 3HD2 LEU 30 HD23 LEU 30 -3.281 11.665 -1.051 250 H HIS 31 HN HIS 31 -7.931 11.602 1.590 251 HA HIS 31 HA HIS 31 -8.447 9.156 2.686 252 1HB HIS 31 HB2 HIS 31 -9.651 11.319 3.172 253 2HB HIS 31 HB1 HIS 31 -10.616 11.032 1.728 254 HD1 HIS 31 HD1 HIS 31 -10.022 7.868 3.323 255 HD2 HIS 31 HD2 HIS 31 -12.670 11.019 3.896 256 HE1 HIS 31 HE1 HIS 31 -11.903 6.925 4.700 257 HE2 HIS 31 HE2 HIS 31 -13.532 8.827 4.963 258 H ASP 32 HN ASP 32 -9.704 10.380 -0.402 259 HA ASP 32 HA ASP 32 -11.094 8.007 -1.082 260 1HB ASP 32 HB2 ASP 32 -10.595 10.590 -2.265 261 2HB ASP 32 HB1 ASP 32 -10.372 9.324 -3.470 262 H VAL 33 HN VAL 33 -7.837 9.111 -1.472 263 HA VAL 33 HA VAL 33 -6.996 7.153 -3.369 264 HB VAL 33 HB VAL 33 -5.680 9.176 -1.640 265 1HG1 VAL 33 HG11 VAL 33 -4.167 7.418 -1.219 266 2HG1 VAL 33 HG12 VAL 33 -3.455 8.334 -2.548 267 3HG1 VAL 33 HG13 VAL 33 -4.298 6.822 -2.866 268 1HG2 VAL 33 HG21 VAL 33 -6.547 9.628 -3.921 269 2HG2 VAL 33 HG22 VAL 33 -5.341 8.498 -4.540 270 3HG2 VAL 33 HG23 VAL 33 -4.828 9.974 -3.716 271 H ASP 34 HN ASP 34 -6.165 7.544 0.091 272 HA ASP 34 HA ASP 34 -5.080 4.964 0.331 273 1HB ASP 34 HB2 ASP 34 -4.362 6.345 2.040 274 2HB ASP 34 HB1 ASP 34 -5.955 7.067 2.270 275 H ASN 35 HN ASN 35 -8.321 6.118 0.222 276 HA ASN 35 HA ASN 35 -9.651 4.052 1.608 277 1HB ASN 35 HB2 ASN 35 -10.384 6.169 -0.275 278 2HB ASN 35 HB1 ASN 35 -11.310 4.697 -0.541 279 1HD2 ASN 35 HD21 ASN 35 -12.257 3.720 1.458 280 2HD2 ASN 35 HD22 ASN 35 -12.932 4.806 2.621 281 H HIS 36 HN HIS 36 -8.461 4.431 -1.671 282 HA HIS 36 HA HIS 36 -9.374 1.950 -2.700 283 1HB HIS 36 HB2 HIS 36 -7.564 4.110 -3.543 284 2HB HIS 36 HB1 HIS 36 -7.046 2.517 -4.087 285 HD1 HIS 36 HD1 HIS 36 -7.900 2.008 -6.341 286 HD2 HIS 36 HD2 HIS 36 -10.556 4.378 -4.197 287 HE1 HIS 36 HE1 HIS 36 -9.839 2.418 -7.890 288 HE2 HIS 36 HE2 HIS 36 -11.398 3.916 -6.598 289 H LEU 37 HN LEU 37 -6.309 3.091 -1.343 290 HA LEU 37 HA LEU 37 -4.833 0.742 -1.412 291 1HB LEU 37 HB2 LEU 37 -4.198 3.110 -0.599 292 2HB LEU 37 HB1 LEU 37 -4.779 2.578 0.961 293 HG LEU 37 HG LEU 37 -2.636 2.019 1.286 294 1HD1 LEU 37 HD11 LEU 37 -3.685 -0.153 1.271 295 2HD1 LEU 37 HD12 LEU 37 -2.052 -0.274 0.618 296 3HD1 LEU 37 HD13 LEU 37 -3.440 -0.291 -0.470 297 1HD2 LEU 37 HD21 LEU 37 -1.419 2.916 -0.383 298 2HD2 LEU 37 HD22 LEU 37 -2.493 2.295 -1.638 299 3HD2 LEU 37 HD23 LEU 37 -1.284 1.238 -0.909 300 H GLN 38 HN GLN 38 -6.491 1.939 1.503 301 HA GLN 38 HA GLN 38 -6.321 -0.265 3.092 302 1HB GLN 38 HB2 GLN 38 -7.869 2.116 3.054 303 2HB GLN 38 HB1 GLN 38 -8.961 0.788 3.419 304 1HG GLN 38 HG2 GLN 38 -6.598 0.450 4.959 305 2HG GLN 38 HG1 GLN 38 -7.151 2.114 5.138 306 1HE2 GLN 38 HE21 GLN 38 -7.569 -1.081 6.104 307 2HE2 GLN 38 HE22 GLN 38 -9.030 -0.885 7.004 308 H ASN 39 HN ASN 39 -8.748 0.346 0.589 309 HA ASN 39 HA ASN 39 -10.363 -1.897 1.038 310 1HB ASN 39 HB2 ASN 39 -9.823 -0.131 -1.312 311 2HB ASN 39 HB1 ASN 39 -10.693 -1.637 -1.585 312 1HD2 ASN 39 HD21 ASN 39 -11.475 1.254 -1.679 313 2HD2 ASN 39 HD22 ASN 39 -12.887 1.353 -0.688 314 H VAL 40 HN VAL 40 -7.279 -1.534 -0.537 315 HA VAL 40 HA VAL 40 -7.222 -3.995 -1.927 316 HB VAL 40 HB VAL 40 -4.838 -2.542 -0.771 317 1HG1 VAL 40 HG11 VAL 40 -4.294 -3.631 -3.304 318 2HG1 VAL 40 HG12 VAL 40 -5.139 -4.881 -2.392 319 3HG1 VAL 40 HG13 VAL 40 -3.670 -4.157 -1.742 320 1HG2 VAL 40 HG21 VAL 40 -6.511 -1.943 -3.173 321 2HG2 VAL 40 HG22 VAL 40 -4.786 -1.571 -3.175 322 3HG2 VAL 40 HG23 VAL 40 -5.842 -0.843 -1.969 323 H ILE 41 HN ILE 41 -5.944 -3.013 1.239 324 HA ILE 41 HA ILE 41 -4.742 -5.289 2.118 325 HB ILE 41 HB ILE 41 -6.597 -3.722 3.902 326 1HG1 ILE 41 HG12 ILE 41 -5.335 -2.040 2.785 327 2HG1 ILE 41 HG11 ILE 41 -4.550 -2.287 4.339 328 1HG2 ILE 41 HG21 ILE 41 -5.148 -5.894 4.500 329 2HG2 ILE 41 HG22 ILE 41 -5.475 -4.601 5.653 330 3HG2 ILE 41 HG23 ILE 41 -3.938 -4.644 4.791 331 1HD1 ILE 41 HD11 ILE 41 -3.027 -2.037 2.367 332 2HD1 ILE 41 HD12 ILE 41 -3.613 -3.604 1.810 333 3HD1 ILE 41 HD13 ILE 41 -2.766 -3.476 3.352 334 H GLU 42 HN GLU 42 -8.234 -4.665 2.098 335 HA GLU 42 HA GLU 42 -8.882 -7.111 3.416 336 1HB GLU 42 HB2 GLU 42 -11.168 -6.555 3.031 337 2HB GLU 42 HB1 GLU 42 -10.335 -5.050 3.389 338 1HG GLU 42 HG2 GLU 42 -10.849 -4.169 1.417 339 2HG GLU 42 HG1 GLU 42 -10.415 -5.636 0.543 340 H ASP 43 HN ASP 43 -8.396 -6.174 0.112 341 HA ASP 43 HA ASP 43 -9.508 -8.648 -0.896 342 1HB ASP 43 HB2 ASP 43 -8.676 -6.101 -2.026 343 2HB ASP 43 HB1 ASP 43 -8.035 -7.455 -2.952 344 H ILE 44 HN ILE 44 -6.453 -7.354 0.072 345 HA ILE 44 HA ILE 44 -4.942 -9.478 -1.186 346 HB ILE 44 HB ILE 44 -3.958 -7.382 0.745 347 1HG1 ILE 44 HG12 ILE 44 -5.075 -6.578 -1.437 348 2HG1 ILE 44 HG11 ILE 44 -3.470 -5.964 -1.060 349 1HG2 ILE 44 HG21 ILE 44 -1.882 -8.004 -0.897 350 2HG2 ILE 44 HG22 ILE 44 -2.690 -9.565 -0.739 351 3HG2 ILE 44 HG23 ILE 44 -2.149 -8.701 0.700 352 1HD1 ILE 44 HD11 ILE 44 -3.682 -8.392 -2.754 353 2HD1 ILE 44 HD12 ILE 44 -2.492 -7.091 -2.779 354 3HD1 ILE 44 HD13 ILE 44 -4.097 -6.830 -3.461 355 H HIS 45 HN HIS 45 -5.617 -8.387 2.133 356 HA HIS 45 HA HIS 45 -4.324 -10.576 3.371 357 1HB HIS 45 HB2 HIS 45 -4.874 -9.573 5.341 358 2HB HIS 45 HB1 HIS 45 -5.203 -8.208 4.281 359 HD1 HIS 45 HD1 HIS 45 -6.598 -9.331 7.121 360 HD2 HIS 45 HD2 HIS 45 -8.196 -8.957 3.304 361 HE1 HIS 45 HE1 HIS 45 -9.089 -9.205 7.448 362 HE2 HIS 45 HE2 HIS 45 -10.030 -8.888 5.132 363 H ASP 46 HN ASP 46 -7.518 -10.171 2.038 364 HA ASP 46 HA ASP 46 -8.548 -12.536 3.377 365 1HB ASP 46 HB2 ASP 46 -9.977 -10.519 2.861 366 2HB ASP 46 HB1 ASP 46 -9.842 -10.940 1.157 367 H PHE 47 HN PHE 47 -7.514 -11.513 0.177 368 HA PHE 47 HA PHE 47 -8.110 -14.038 -1.054 369 1HB PHE 47 HB2 PHE 47 -6.494 -11.656 -1.943 370 2HB PHE 47 HB1 PHE 47 -6.604 -13.120 -2.908 371 HD1 PHE 47 HD1 PHE 47 -9.312 -11.547 -0.908 372 HD2 PHE 47 HD2 PHE 47 -7.768 -12.373 -4.785 373 HE1 PHE 47 HE1 PHE 47 -11.407 -10.744 -1.909 374 HE2 PHE 47 HE2 PHE 47 -9.861 -11.570 -5.794 375 HZ PHE 47 HZ PHE 47 -11.684 -10.753 -4.355 376 H MET 48 HN MET 48 -5.441 -12.726 0.716 377 HA MET 48 HA MET 48 -3.283 -14.216 -0.140 378 1HB MET 48 HB2 MET 48 -3.913 -12.615 2.098 379 2HB MET 48 HB1 MET 48 -3.297 -14.131 2.736 380 1HG MET 48 HG2 MET 48 -1.266 -13.316 2.412 381 2HG MET 48 HG1 MET 48 -1.556 -13.529 0.687 382 1HE MET 48 HE1 MET 48 -1.457 -11.653 -0.987 383 2HE MET 48 HE2 MET 48 0.068 -11.732 -0.103 384 3HE MET 48 HE3 MET 48 -0.658 -10.168 -0.469 385 H GLN 49 HN GLN 49 -5.919 -15.171 1.997 386 HA GLN 49 HA GLN 49 -4.844 -17.683 2.735 387 1HB GLN 49 HB2 GLN 49 -7.291 -16.201 3.158 388 2HB GLN 49 HB1 GLN 49 -7.645 -17.891 2.823 389 1HG GLN 49 HG2 GLN 49 -6.177 -18.580 4.630 390 2HG GLN 49 HG1 GLN 49 -5.758 -16.898 4.947 391 1HE2 GLN 49 HE21 GLN 49 -7.520 -19.347 6.078 392 2HE2 GLN 49 HE22 GLN 49 -8.818 -18.488 6.829 393 H GLY 50 HN GLY 50 -6.504 -16.546 -0.080 394 1HA GLY 50 HA2 GLY 50 -6.001 -18.085 -2.027 395 2HA GLY 50 HA1 GLY 50 -6.769 -19.323 -1.044 396 H GLY 51 HN GLY 51 -8.475 -16.619 -0.342 397 1HA GLY 51 HA2 GLY 51 -10.831 -17.385 -1.549 398 2HA GLY 51 HA1 GLY 51 -10.473 -15.733 -1.068 399 H GLY 52 HN GLY 52 -8.276 -15.360 -2.860 400 1HA GLY 52 HA2 GLY 52 -9.189 -15.857 -5.544 401 2HA GLY 52 HA1 GLY 52 -9.414 -14.190 -5.035 402 H SER 53 HN SER 53 -6.749 -16.031 -3.791 403 HA SER 53 HA SER 53 -4.827 -14.161 -4.573 404 1HB SER 53 HB2 SER 53 -4.840 -16.259 -2.851 405 2HB SER 53 HB1 SER 53 -3.881 -16.934 -4.168 406 HG SER 53 HG SER 53 -2.327 -15.523 -3.785 407 H GLY 54 HN GLY 54 -2.718 -15.250 -5.725 408 1HA GLY 54 HA2 GLY 54 -1.811 -15.607 -7.808 409 2HA GLY 54 HA1 GLY 54 -2.942 -16.951 -7.879 410 H GLY 55 HN GLY 55 -3.105 -13.390 -8.125 411 1HA GLY 55 HA2 GLY 55 -3.615 -12.885 -10.664 412 2HA GLY 55 HA1 GLY 55 -5.122 -13.672 -10.223 413 H LYS 56 HN LYS 56 -4.717 -12.435 -7.439 414 HA LYS 56 HA LYS 56 -6.148 -9.980 -8.053 415 1HB LYS 56 HB2 LYS 56 -6.552 -9.879 -5.624 416 2HB LYS 56 HB1 LYS 56 -7.045 -11.421 -6.311 417 1HG LYS 56 HG2 LYS 56 -5.928 -12.279 -4.565 418 2HG LYS 56 HG1 LYS 56 -4.509 -11.995 -5.568 419 1HD LYS 56 HD2 LYS 56 -4.133 -9.859 -4.482 420 2HD LYS 56 HD1 LYS 56 -5.609 -10.055 -3.536 421 1HE LYS 56 HE2 LYS 56 -3.659 -10.607 -2.195 422 2HE LYS 56 HE1 LYS 56 -4.652 -12.038 -2.463 423 1HZ LYS 56 HZ1 LYS 56 -2.840 -11.995 -4.536 424 2HZ LYS 56 HZ2 LYS 56 -2.823 -13.025 -3.195 425 3HZ LYS 56 HZ3 LYS 56 -1.939 -11.584 -3.164 426 H LEU 57 HN LEU 57 -3.153 -10.982 -6.474 427 HA LEU 57 HA LEU 57 -2.396 -8.411 -5.611 428 1HB LEU 57 HB2 LEU 57 -1.477 -10.607 -4.817 429 2HB LEU 57 HB1 LEU 57 -0.541 -10.675 -6.297 430 HG LEU 57 HG LEU 57 0.414 -8.397 -5.565 431 1HD1 LEU 57 HD11 LEU 57 -1.452 -8.551 -3.615 432 2HD1 LEU 57 HD12 LEU 57 0.027 -7.596 -3.501 433 3HD1 LEU 57 HD13 LEU 57 -0.045 -9.203 -2.777 434 1HD2 LEU 57 HD21 LEU 57 1.242 -10.569 -3.704 435 2HD2 LEU 57 HD22 LEU 57 2.228 -9.469 -4.668 436 3HD2 LEU 57 HD23 LEU 57 1.409 -10.826 -5.441 437 H GLN 58 HN GLN 58 -2.600 -9.618 -8.760 438 HA GLN 58 HA GLN 58 -0.375 -8.049 -9.748 439 1HB GLN 58 HB2 GLN 58 -1.255 -8.793 -12.017 440 2HB GLN 58 HB1 GLN 58 -0.673 -10.061 -10.950 441 1HG GLN 58 HG2 GLN 58 -2.909 -10.690 -10.379 442 2HG GLN 58 HG1 GLN 58 -3.569 -9.317 -11.266 443 1HE2 GLN 58 HE21 GLN 58 -1.853 -12.362 -11.588 444 2HE2 GLN 58 HE22 GLN 58 -2.312 -12.663 -13.226 445 H GLU 59 HN GLU 59 -3.914 -8.014 -10.050 446 HA GLU 59 HA GLU 59 -3.822 -5.391 -11.292 447 1HB GLU 59 HB2 GLU 59 -5.872 -7.488 -10.874 448 2HB GLU 59 HB1 GLU 59 -6.460 -5.831 -10.870 449 1HG GLU 59 HG2 GLU 59 -4.637 -6.550 -13.069 450 2HG GLU 59 HG1 GLU 59 -6.219 -7.325 -13.081 451 H MET 60 HN MET 60 -4.514 -6.855 -8.204 452 HA MET 60 HA MET 60 -5.684 -4.491 -7.071 453 1HB MET 60 HB2 MET 60 -6.024 -6.957 -6.342 454 2HB MET 60 HB1 MET 60 -4.523 -6.738 -5.453 455 1HG MET 60 HG2 MET 60 -5.901 -6.107 -3.803 456 2HG MET 60 HG1 MET 60 -5.864 -4.556 -4.643 457 1HE MET 60 HE1 MET 60 -8.702 -4.197 -3.255 458 2HE MET 60 HE2 MET 60 -9.302 -3.731 -4.847 459 3HE MET 60 HE3 MET 60 -7.631 -3.386 -4.397 460 H MET 61 HN MET 61 -2.463 -5.871 -7.307 461 HA MET 61 HA MET 61 -1.204 -4.449 -5.256 462 1HB MET 61 HB2 MET 61 0.120 -6.084 -6.261 463 2HB MET 61 HB1 MET 61 -0.243 -5.527 -7.887 464 1HG MET 61 HG2 MET 61 1.120 -3.455 -6.463 465 2HG MET 61 HG1 MET 61 2.013 -4.964 -6.299 466 1HE MET 61 HE1 MET 61 1.964 -6.302 -9.705 467 2HE MET 61 HE2 MET 61 2.437 -6.482 -8.017 468 3HE MET 61 HE3 MET 61 3.582 -5.830 -9.188 469 H LYS 62 HN LYS 62 -1.900 -3.497 -8.597 470 HA LYS 62 HA LYS 62 -0.571 -1.024 -8.553 471 1HB LYS 62 HB2 LYS 62 -2.068 -2.476 -10.398 472 2HB LYS 62 HB1 LYS 62 -2.983 -0.990 -10.176 473 1HG LYS 62 HG2 LYS 62 -0.267 -0.263 -10.424 474 2HG LYS 62 HG1 LYS 62 -0.615 -1.433 -11.697 475 1HD LYS 62 HD2 LYS 62 -1.133 0.644 -12.651 476 2HD LYS 62 HD1 LYS 62 -2.695 -0.024 -12.174 477 1HE LYS 62 HE2 LYS 62 -2.666 2.267 -11.521 478 2HE LYS 62 HE1 LYS 62 -2.519 1.295 -10.058 479 1HZ LYS 62 HZ1 LYS 62 -0.815 2.667 -9.638 480 2HZ LYS 62 HZ2 LYS 62 -0.628 3.128 -11.255 481 3HZ LYS 62 HZ3 LYS 62 0.049 1.679 -10.707 482 H GLU 63 HN GLU 63 -3.495 -2.034 -7.059 483 HA GLU 63 HA GLU 63 -4.727 0.537 -6.907 484 1HB GLU 63 HB2 GLU 63 -5.841 -1.772 -6.694 485 2HB GLU 63 HB1 GLU 63 -5.288 -1.738 -5.026 486 1HG GLU 63 HG2 GLU 63 -7.053 -0.542 -4.458 487 2HG GLU 63 HG1 GLU 63 -6.547 0.738 -5.560 488 H PHE 64 HN PHE 64 -2.403 -1.199 -4.952 489 HA PHE 64 HA PHE 64 -2.685 0.671 -2.755 490 1HB PHE 64 HB2 PHE 64 -1.260 -0.732 -1.516 491 2HB PHE 64 HB1 PHE 64 -2.198 -1.841 -2.508 492 HD1 PHE 64 HD1 PHE 64 -1.114 -3.516 -3.587 493 HD2 PHE 64 HD2 PHE 64 1.051 0.011 -2.601 494 HE1 PHE 64 HE1 PHE 64 0.951 -4.556 -4.420 495 HE2 PHE 64 HE2 PHE 64 3.120 -1.022 -3.438 496 HZ PHE 64 HZ PHE 64 3.070 -3.308 -4.349 497 H GLN 65 HN GLN 65 -0.643 0.134 -5.503 498 HA GLN 65 HA GLN 65 1.419 1.948 -4.632 499 1HB GLN 65 HB2 GLN 65 0.891 0.362 -7.117 500 2HB GLN 65 HB1 GLN 65 2.058 1.677 -7.164 501 1HG GLN 65 HG2 GLN 65 2.886 0.374 -4.955 502 2HG GLN 65 HG1 GLN 65 2.228 -0.966 -5.892 503 1HE2 GLN 65 HE21 GLN 65 4.507 1.711 -5.972 504 2HE2 GLN 65 HE22 GLN 65 5.565 1.018 -7.149 505 H GLN 66 HN GLN 66 -1.427 2.059 -6.690 506 HA GLN 66 HA GLN 66 -0.961 4.450 -8.040 507 1HB GLN 66 HB2 GLN 66 -2.861 2.822 -8.417 508 2HB GLN 66 HB1 GLN 66 -3.660 3.550 -7.030 509 1HG GLN 66 HG2 GLN 66 -2.786 5.126 -9.434 510 2HG GLN 66 HG1 GLN 66 -4.378 4.382 -9.291 511 1HE2 GLN 66 HE21 GLN 66 -3.003 7.224 -9.152 512 2HE2 GLN 66 HE22 GLN 66 -3.911 7.994 -7.902 513 H VAL 67 HN VAL 67 -2.117 3.864 -4.780 514 HA VAL 67 HA VAL 67 -3.074 6.396 -4.116 515 HB VAL 67 HB VAL 67 -1.779 4.202 -2.509 516 1HG1 VAL 67 HG11 VAL 67 -1.240 5.613 -0.876 517 2HG1 VAL 67 HG12 VAL 67 -2.968 5.866 -0.637 518 3HG1 VAL 67 HG13 VAL 67 -2.050 6.962 -1.668 519 1HG2 VAL 67 HG21 VAL 67 -3.855 3.432 -2.537 520 2HG2 VAL 67 HG22 VAL 67 -4.437 4.892 -3.337 521 3HG2 VAL 67 HG23 VAL 67 -4.346 4.828 -1.577 522 H LEU 68 HN LEU 68 0.216 5.084 -3.816 523 HA LEU 68 HA LEU 68 1.398 7.457 -2.817 524 1HB LEU 68 HB2 LEU 68 2.327 4.872 -3.894 525 2HB LEU 68 HB1 LEU 68 3.467 6.205 -3.985 526 HG LEU 68 HG LEU 68 2.661 6.500 -1.439 527 1HD1 LEU 68 HD11 LEU 68 2.923 3.768 -0.928 528 2HD1 LEU 68 HD12 LEU 68 1.717 3.889 -2.207 529 3HD1 LEU 68 HD13 LEU 68 1.490 4.767 -0.694 530 1HD2 LEU 68 HD21 LEU 68 4.886 6.337 -1.389 531 2HD2 LEU 68 HD22 LEU 68 4.917 5.302 -2.815 532 3HD2 LEU 68 HD23 LEU 68 4.674 4.595 -1.218 533 H ASP 69 HN ASP 69 0.141 6.742 -5.878 534 HA ASP 69 HA ASP 69 1.959 8.218 -7.501 535 1HB ASP 69 HB2 ASP 69 0.007 6.512 -8.128 536 2HB ASP 69 HB1 ASP 69 -0.929 7.998 -8.239 537 H GLU 70 HN GLU 70 -1.333 8.963 -6.339 538 HA GLU 70 HA GLU 70 -1.504 11.644 -7.004 539 1HB GLU 70 HB2 GLU 70 -3.099 9.935 -5.649 540 2HB GLU 70 HB1 GLU 70 -2.457 10.847 -4.287 541 1HG GLU 70 HG2 GLU 70 -4.143 12.225 -4.650 542 2HG GLU 70 HG1 GLU 70 -3.182 12.832 -5.998 543 H LEU 71 HN LEU 71 -0.060 10.065 -4.288 544 HA LEU 71 HA LEU 71 0.729 12.328 -2.803 545 1HB LEU 71 HB2 LEU 71 0.420 10.341 -1.656 546 2HB LEU 71 HB1 LEU 71 1.308 9.409 -2.836 547 HG LEU 71 HG LEU 71 3.261 11.042 -1.825 548 1HD1 LEU 71 HD11 LEU 71 2.565 10.236 0.731 549 2HD1 LEU 71 HD12 LEU 71 1.084 10.922 0.076 550 3HD1 LEU 71 HD13 LEU 71 2.556 11.888 0.114 551 1HD2 LEU 71 HD21 LEU 71 3.708 8.918 -0.393 552 2HD2 LEU 71 HD22 LEU 71 3.747 8.805 -2.154 553 3HD2 LEU 71 HD23 LEU 71 2.327 8.265 -1.266 554 H ASN 72 HN ASN 72 2.844 9.942 -4.386 555 HA ASN 72 HA ASN 72 5.202 11.326 -4.246 556 1HB ASN 72 HB2 ASN 72 4.173 9.319 -6.224 557 2HB ASN 72 HB1 ASN 72 5.766 10.041 -6.438 558 1HD2 ASN 72 HD21 ASN 72 7.122 10.007 -4.381 559 2HD2 ASN 72 HD22 ASN 72 7.124 8.519 -3.502 560 H ASN 73 HN ASN 73 2.578 11.845 -6.498 561 HA ASN 73 HA ASN 73 4.182 13.601 -8.160 562 1HB ASN 73 HB2 ASN 73 1.643 12.225 -8.413 563 2HB ASN 73 HB1 ASN 73 1.508 13.909 -8.904 564 1HD2 ASN 73 HD21 ASN 73 3.507 14.616 -10.258 565 2HD2 ASN 73 HD22 ASN 73 3.912 13.548 -11.554 566 H HIS 74 HN HIS 74 3.106 14.077 -5.195 567 HA HIS 74 HA HIS 74 2.790 16.932 -5.618 568 1HB HIS 74 HB2 HIS 74 0.612 15.214 -4.449 569 2HB HIS 74 HB1 HIS 74 0.734 16.937 -4.106 570 HD1 HIS 74 HD1 HIS 74 0.679 18.506 -6.344 571 HD2 HIS 74 HD2 HIS 74 -0.768 14.628 -6.711 572 HE1 HIS 74 HE1 HIS 74 -0.718 18.504 -8.435 573 HE2 HIS 74 HE2 HIS 74 -1.651 16.170 -8.590 574 H LEU 75 HN LEU 75 4.721 15.108 -4.321 575 HA LEU 75 HA LEU 75 4.602 15.128 -1.545 576 1HB LEU 75 HB2 LEU 75 6.625 14.810 -3.565 577 2HB LEU 75 HB1 LEU 75 7.256 15.808 -2.271 578 HG LEU 75 HG LEU 75 7.882 13.702 -1.593 579 1HD1 LEU 75 HD11 LEU 75 5.204 13.546 -0.312 580 2HD1 LEU 75 HD12 LEU 75 6.214 14.959 0.005 581 3HD1 LEU 75 HD13 LEU 75 6.809 13.344 0.393 582 1HD2 LEU 75 HD21 LEU 75 6.618 12.574 -3.431 583 2HD2 LEU 75 HD22 LEU 75 5.207 12.568 -2.371 584 3HD2 LEU 75 HD23 LEU 75 6.663 11.687 -1.909 585 H GLN 76 HN GLN 76 3.585 17.021 -0.855 586 HA GLN 76 HA GLN 76 4.403 19.610 -1.572 587 1HB GLN 76 HB2 GLN 76 2.549 18.411 0.373 588 2HB GLN 76 HB1 GLN 76 3.197 19.972 0.857 589 1HG GLN 76 HG2 GLN 76 1.998 19.547 -1.854 590 2HG GLN 76 HG1 GLN 76 1.004 19.928 -0.448 591 1HE2 GLN 76 HE21 GLN 76 3.317 21.105 -2.728 592 2HE2 GLN 76 HE22 GLN 76 3.235 22.770 -2.275 593 H GLY 77 HN GLY 77 6.785 19.047 -1.261 594 1HA GLY 77 HA2 GLY 77 8.758 19.384 -0.137 595 2HA GLY 77 HA1 GLY 77 7.854 20.531 0.840 596 H GLY 78 HN GLY 78 7.580 16.995 0.542 597 1HA GLY 78 HA2 GLY 78 8.613 16.662 3.244 598 2HA GLY 78 HA1 GLY 78 6.921 16.253 3.013 599 H LYS 79 HN LYS 79 9.579 15.750 0.745 600 HA LYS 79 HA LYS 79 8.896 13.245 -0.103 601 1HB LYS 79 HB2 LYS 79 11.099 14.957 -0.406 602 2HB LYS 79 HB1 LYS 79 11.773 13.418 0.111 603 1HG LYS 79 HG2 LYS 79 9.767 13.477 -2.094 604 2HG LYS 79 HG1 LYS 79 11.441 13.928 -2.417 605 1HD LYS 79 HD2 LYS 79 11.838 11.747 -2.686 606 2HD LYS 79 HD1 LYS 79 11.666 11.604 -0.936 607 1HE LYS 79 HE2 LYS 79 9.479 10.845 -1.084 608 2HE LYS 79 HE1 LYS 79 9.253 11.513 -2.700 609 1HZ LYS 79 HZ1 LYS 79 10.407 8.976 -1.888 610 2HZ LYS 79 HZ2 LYS 79 11.196 9.760 -3.161 611 3HZ LYS 79 HZ3 LYS 79 9.554 9.378 -3.292 612 H HIS 80 HN HIS 80 10.803 14.073 2.749 613 HA HIS 80 HA HIS 80 11.798 11.635 3.491 614 1HB HIS 80 HB2 HIS 80 11.991 13.939 4.655 615 2HB HIS 80 HB1 HIS 80 10.552 13.446 5.543 616 HD1 HIS 80 HD1 HIS 80 13.999 11.992 4.812 617 HD2 HIS 80 HD2 HIS 80 11.158 12.166 7.839 618 HE1 HIS 80 HE1 HIS 80 15.029 10.796 6.768 619 HE2 HIS 80 HE2 HIS 80 13.257 10.837 8.560 620 H THR 81 HN THR 81 8.479 12.744 3.751 621 HA THR 81 HA THR 81 7.568 10.641 5.430 622 HB THR 81 HB THR 81 6.289 12.689 3.675 623 HG1 THR 81 HG1 THR 81 5.284 13.198 5.642 624 1HG2 THR 81 HG21 THR 81 5.004 10.137 4.377 625 2HG2 THR 81 HG22 THR 81 4.611 11.314 3.114 626 3HG2 THR 81 HG23 THR 81 4.087 11.597 4.777 627 H VAL 82 HN VAL 82 6.661 11.180 2.052 628 HA VAL 82 HA VAL 82 5.821 8.618 1.474 629 HB VAL 82 HB VAL 82 7.245 10.420 -0.489 630 1HG1 VAL 82 HG11 VAL 82 5.521 9.303 -2.034 631 2HG1 VAL 82 HG12 VAL 82 5.347 8.107 -0.752 632 3HG1 VAL 82 HG13 VAL 82 6.913 8.347 -1.526 633 1HG2 VAL 82 HG21 VAL 82 4.441 10.459 0.572 634 2HG2 VAL 82 HG22 VAL 82 4.870 11.180 -0.977 635 3HG2 VAL 82 HG23 VAL 82 5.606 11.776 0.508 636 H HIS 83 HN HIS 83 9.134 9.929 1.309 637 HA HIS 83 HA HIS 83 10.403 7.845 0.024 638 1HB HIS 83 HB2 HIS 83 11.342 10.059 1.132 639 2HB HIS 83 HB1 HIS 83 11.693 8.979 2.478 640 HD1 HIS 83 HD1 HIS 83 12.451 9.319 -1.224 641 HD2 HIS 83 HD2 HIS 83 14.010 7.570 2.207 642 HE1 HIS 83 HE1 HIS 83 14.688 8.393 -1.900 643 HE2 HIS 83 HE2 HIS 83 15.650 7.414 0.214 644 H HIS 84 HN HIS 84 9.372 8.104 3.376 645 HA HIS 84 HA HIS 84 10.391 5.523 4.120 646 1HB HIS 84 HB2 HIS 84 8.589 7.523 5.480 647 2HB HIS 84 HB1 HIS 84 8.926 5.945 6.184 648 HD1 HIS 84 HD1 HIS 84 11.627 7.813 4.398 649 HD2 HIS 84 HD2 HIS 84 10.380 7.076 8.293 650 HE1 HIS 84 HE1 HIS 84 13.513 8.595 5.866 651 HE2 HIS 84 HE2 HIS 84 12.704 8.210 8.222 652 H ILE 85 HN ILE 85 7.402 6.792 2.845 653 HA ILE 85 HA ILE 85 5.961 4.355 3.429 654 HB ILE 85 HB ILE 85 4.063 5.480 3.131 655 1HG1 ILE 85 HG12 ILE 85 4.808 7.235 0.868 656 2HG1 ILE 85 HG11 ILE 85 4.658 5.513 0.545 657 1HG2 ILE 85 HG21 ILE 85 4.221 7.970 3.186 658 2HG2 ILE 85 HG22 ILE 85 5.964 7.759 3.081 659 3HG2 ILE 85 HG23 ILE 85 5.083 7.089 4.448 660 1HD1 ILE 85 HD11 ILE 85 2.455 6.743 2.071 661 2HD1 ILE 85 HD12 ILE 85 2.416 5.518 0.806 662 3HD1 ILE 85 HD13 ILE 85 2.607 7.217 0.380 663 H GLU 86 HN GLU 86 7.616 5.789 0.721 664 HA GLU 86 HA GLU 86 6.577 3.915 -1.203 665 1HB GLU 86 HB2 GLU 86 8.524 4.793 -2.610 666 2HB GLU 86 HB1 GLU 86 7.289 5.954 -2.156 667 1HG GLU 86 HG2 GLU 86 8.789 7.252 -1.208 668 2HG GLU 86 HG1 GLU 86 9.336 5.937 -0.174 669 H GLN 87 HN GLN 87 9.651 4.306 0.575 670 HA GLN 87 HA GLN 87 10.934 2.029 -0.421 671 1HB GLN 87 HB2 GLN 87 11.245 3.810 1.879 672 2HB GLN 87 HB1 GLN 87 11.719 2.157 2.239 673 1HG GLN 87 HG2 GLN 87 13.643 3.362 1.517 674 2HG GLN 87 HG1 GLN 87 13.206 2.203 0.262 675 1HE2 GLN 87 HE21 GLN 87 12.190 2.981 -1.642 676 2HE2 GLN 87 HE22 GLN 87 12.395 4.620 -2.147 677 H ASN 88 HN ASN 88 8.406 2.467 1.908 678 HA ASN 88 HA ASN 88 8.482 -0.249 2.878 679 1HB ASN 88 HB2 ASN 88 6.965 2.221 3.496 680 2HB ASN 88 HB1 ASN 88 6.116 0.703 3.775 681 1HD2 ASN 88 HD21 ASN 88 9.328 2.113 4.324 682 2HD2 ASN 88 HD22 ASN 88 9.507 1.503 5.930 683 H ILE 89 HN ILE 89 6.035 1.717 1.163 684 HA ILE 89 HA ILE 89 4.384 -0.440 0.510 685 HB ILE 89 HB ILE 89 4.406 2.373 -0.058 686 1HG1 ILE 89 HG12 ILE 89 1.963 0.958 -0.679 687 2HG1 ILE 89 HG11 ILE 89 2.695 0.354 0.808 688 1HG2 ILE 89 HG21 ILE 89 4.907 1.855 -2.360 689 2HG2 ILE 89 HG22 ILE 89 3.209 2.313 -2.227 690 3HG2 ILE 89 HG23 ILE 89 3.652 0.615 -2.390 691 1HD1 ILE 89 HD11 ILE 89 2.837 3.145 0.996 692 2HD1 ILE 89 HD12 ILE 89 1.754 2.062 1.871 693 3HD1 ILE 89 HD13 ILE 89 1.233 2.791 0.353 694 H LYS 90 HN LYS 90 6.846 1.186 -1.516 695 HA LYS 90 HA LYS 90 6.420 -0.493 -3.714 696 1HB LYS 90 HB2 LYS 90 8.705 1.249 -2.869 697 2HB LYS 90 HB1 LYS 90 8.936 0.130 -4.201 698 1HG LYS 90 HG2 LYS 90 8.280 1.976 -5.353 699 2HG LYS 90 HG1 LYS 90 6.707 1.226 -5.071 700 1HD LYS 90 HD2 LYS 90 6.043 2.853 -3.652 701 2HD LYS 90 HD1 LYS 90 7.651 3.040 -2.950 702 1HE LYS 90 HE2 LYS 90 6.864 5.034 -4.209 703 2HE LYS 90 HE1 LYS 90 8.378 4.363 -4.811 704 1HZ LYS 90 HZ1 LYS 90 6.774 4.968 -6.574 705 2HZ LYS 90 HZ2 LYS 90 5.718 3.781 -5.993 706 3HZ LYS 90 HZ3 LYS 90 7.228 3.338 -6.616 707 H GLU 91 HN GLU 91 8.182 -0.910 -0.769 708 HA GLU 91 HA GLU 91 9.433 -3.370 -1.706 709 1HB GLU 91 HB2 GLU 91 10.643 -1.736 -0.209 710 2HB GLU 91 HB1 GLU 91 9.522 -2.182 1.070 711 1HG GLU 91 HG2 GLU 91 11.019 -3.728 1.621 712 2HG GLU 91 HG1 GLU 91 10.442 -4.614 0.210 713 H ILE 92 HN ILE 92 6.448 -2.513 -0.721 714 HA ILE 92 HA ILE 92 5.874 -4.641 1.104 715 HB ILE 92 HB ILE 92 4.533 -2.277 0.215 716 1HG1 ILE 92 HG12 ILE 92 3.274 -2.588 2.265 717 2HG1 ILE 92 HG11 ILE 92 3.778 -4.272 2.351 718 1HG2 ILE 92 HG21 ILE 92 2.809 -4.739 0.108 719 2HG2 ILE 92 HG22 ILE 92 3.248 -3.732 -1.271 720 3HG2 ILE 92 HG23 ILE 92 2.247 -3.070 0.021 721 1HD1 ILE 92 HD11 ILE 92 6.179 -3.141 2.306 722 2HD1 ILE 92 HD12 ILE 92 5.269 -3.386 3.797 723 3HD1 ILE 92 HD13 ILE 92 5.265 -1.807 3.009 724 H PHE 93 HN PHE 93 5.289 -3.876 -2.288 725 HA PHE 93 HA PHE 93 3.810 -6.094 -3.046 726 1HB PHE 93 HB2 PHE 93 4.171 -5.370 -5.186 727 2HB PHE 93 HB1 PHE 93 4.812 -3.951 -4.360 728 HD1 PHE 93 HD1 PHE 93 7.374 -4.528 -3.496 729 HD2 PHE 93 HD2 PHE 93 5.447 -5.968 -7.001 730 HE1 PHE 93 HE1 PHE 93 9.560 -4.930 -4.523 731 HE2 PHE 93 HE2 PHE 93 7.637 -6.363 -8.048 732 HZ PHE 93 HZ PHE 93 9.705 -5.841 -6.811 733 H HIS 94 HN HIS 94 7.165 -5.802 -2.208 734 HA HIS 94 HA HIS 94 8.222 -8.064 -3.472 735 1HB HIS 94 HB2 HIS 94 9.181 -6.093 -1.763 736 2HB HIS 94 HB1 HIS 94 9.370 -7.576 -0.834 737 HD1 HIS 94 HD1 HIS 94 10.699 -9.549 -2.218 738 HD2 HIS 94 HD2 HIS 94 11.202 -5.630 -3.503 739 HE1 HIS 94 HE1 HIS 94 12.788 -9.563 -3.617 740 HE2 HIS 94 HE2 HIS 94 13.025 -7.198 -4.454 741 H HIS 95 HN HIS 95 7.339 -7.757 -0.040 742 HA HIS 95 HA HIS 95 7.327 -10.553 0.418 743 1HB HIS 95 HB2 HIS 95 6.265 -8.187 1.943 744 2HB HIS 95 HB1 HIS 95 5.959 -9.832 2.494 745 HD1 HIS 95 HD1 HIS 95 7.656 -10.722 4.052 746 HD2 HIS 95 HD2 HIS 95 9.211 -7.730 1.623 747 HE1 HIS 95 HE1 HIS 95 10.017 -10.373 4.842 748 HE2 HIS 95 HE2 HIS 95 10.968 -8.627 3.295 749 H LEU 96 HN LEU 96 5.199 -8.582 -1.284 750 HA LEU 96 HA LEU 96 2.819 -10.129 -0.635 751 1HB LEU 96 HB2 LEU 96 3.354 -7.796 -2.458 752 2HB LEU 96 HB1 LEU 96 1.805 -8.619 -2.416 753 HG LEU 96 HG LEU 96 3.129 -7.108 -0.185 754 1HD1 LEU 96 HD11 LEU 96 2.088 -5.648 -1.766 755 2HD1 LEU 96 HD12 LEU 96 1.041 -5.743 -0.349 756 3HD1 LEU 96 HD13 LEU 96 0.635 -6.646 -1.808 757 1HD2 LEU 96 HD21 LEU 96 0.565 -8.688 -0.131 758 2HD2 LEU 96 HD22 LEU 96 1.123 -7.602 1.144 759 3HD2 LEU 96 HD23 LEU 96 2.043 -9.056 0.759 760 H GLU 97 HN GLU 97 4.627 -9.320 -3.592 761 HA GLU 97 HA GLU 97 3.410 -11.398 -5.114 762 1HB GLU 97 HB2 GLU 97 5.312 -9.253 -5.565 763 2HB GLU 97 HB1 GLU 97 5.825 -10.732 -6.364 764 1HG GLU 97 HG2 GLU 97 3.062 -9.600 -6.664 765 2HG GLU 97 HG1 GLU 97 4.403 -9.151 -7.717 766 H GLU 98 HN GLU 98 5.767 -11.392 -2.710 767 HA GLU 98 HA GLU 98 7.207 -13.705 -3.765 768 1HB GLU 98 HB2 GLU 98 7.538 -11.987 -1.318 769 2HB GLU 98 HB1 GLU 98 8.392 -13.514 -1.484 770 1HG GLU 98 HG2 GLU 98 8.588 -11.623 -3.746 771 2HG GLU 98 HG1 GLU 98 9.421 -11.186 -2.256 772 H LEU 99 HN LEU 99 4.450 -13.083 -1.917 773 HA LEU 99 HA LEU 99 4.613 -15.495 -0.319 774 1HB LEU 99 HB2 LEU 99 3.601 -13.496 0.635 775 2HB LEU 99 HB1 LEU 99 2.414 -13.455 -0.655 776 HG LEU 99 HG LEU 99 1.922 -15.915 0.319 777 1HD1 LEU 99 HD11 LEU 99 2.638 -16.283 2.390 778 2HD1 LEU 99 HD12 LEU 99 2.077 -14.703 2.930 779 3HD1 LEU 99 HD13 LEU 99 3.679 -14.870 2.211 780 1HD2 LEU 99 HD21 LEU 99 0.183 -14.367 -0.006 781 2HD2 LEU 99 HD22 LEU 99 0.852 -13.245 1.179 782 3HD2 LEU 99 HD23 LEU 99 0.139 -14.768 1.711 783 H VAL 100 HN VAL 100 2.364 -14.218 -2.780 784 HA VAL 100 HA VAL 100 0.946 -16.621 -3.131 785 HB VAL 100 HB VAL 100 1.317 -14.408 -5.154 786 1HG1 VAL 100 HG11 VAL 100 -0.916 -16.415 -4.863 787 2HG1 VAL 100 HG12 VAL 100 0.381 -16.511 -6.054 788 3HG1 VAL 100 HG13 VAL 100 -0.767 -15.173 -6.106 789 1HG2 VAL 100 HG21 VAL 100 -1.056 -13.849 -4.139 790 2HG2 VAL 100 HG22 VAL 100 0.426 -13.235 -3.404 791 3HG2 VAL 100 HG23 VAL 100 -0.377 -14.649 -2.720 792 H HIS 101 HN HIS 101 3.663 -15.230 -4.950 793 HA HIS 101 HA HIS 101 3.832 -17.207 -6.923 794 1HB HIS 101 HB2 HIS 101 5.075 -14.895 -6.621 795 2HB HIS 101 HB1 HIS 101 6.320 -15.909 -5.899 796 HD1 HIS 101 HD1 HIS 101 5.014 -14.779 -9.116 797 HD2 HIS 101 HD2 HIS 101 7.351 -17.922 -7.732 798 HE1 HIS 101 HE1 HIS 101 6.147 -15.722 -11.154 799 HE2 HIS 101 HE2 HIS 101 7.630 -17.560 -10.277 800 H ARG 102 HN ARG 102 4.958 -17.147 -3.624 801 HA ARG 102 HA ARG 102 6.424 -19.651 -4.006 802 1HB ARG 102 HB2 ARG 102 7.053 -17.451 -2.535 803 2HB ARG 102 HB1 ARG 102 6.298 -18.461 -1.309 804 1HG ARG 102 HG2 ARG 102 8.022 -19.887 -1.244 805 2HG ARG 102 HG1 ARG 102 8.239 -19.862 -2.995 806 1HD ARG 102 HD2 ARG 102 9.798 -18.246 -2.904 807 2HD ARG 102 HD1 ARG 102 8.944 -17.358 -1.643 808 HE ARG 102 HE ARG 102 10.265 -18.383 -0.089 809 1HH1 ARG 102 HH11 ARG 102 10.435 -20.202 -3.062 810 2HH1 ARG 102 HH12 ARG 102 11.679 -21.261 -2.490 811 1HH2 ARG 102 HH21 ARG 102 11.902 -19.775 0.666 812 2HH2 ARG 102 HH22 ARG 102 12.512 -21.020 -0.373 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -1.128 -22.031 6.340 2 2H MET 1 HT2 MET 1 -0.686 -22.687 4.817 3 3H MET 1 HT3 MET 1 -2.196 -23.094 5.523 4 HA MET 1 HA MET 1 -2.240 -21.446 3.690 5 1HB MET 1 HB2 MET 1 -3.427 -21.235 6.409 6 2HB MET 1 HB1 MET 1 -3.680 -19.879 5.319 7 1HG MET 1 HG2 MET 1 -4.319 -21.918 3.688 8 2HG MET 1 HG1 MET 1 -4.779 -22.605 5.244 9 1HE MET 1 HE1 MET 1 -6.726 -22.674 3.415 10 2HE MET 1 HE2 MET 1 -6.942 -21.197 2.476 11 3HE MET 1 HE3 MET 1 -8.122 -21.638 3.710 12 H TYR 2 HN TYR 2 -1.652 -19.462 2.943 13 HA TYR 2 HA TYR 2 0.413 -18.062 4.471 14 1HB TYR 2 HB2 TYR 2 -0.417 -17.836 1.569 15 2HB TYR 2 HB1 TYR 2 0.882 -16.911 2.314 16 HD1 TYR 2 HD1 TYR 2 3.004 -17.676 1.865 17 HD2 TYR 2 HD2 TYR 2 -0.163 -20.505 2.125 18 HE1 TYR 2 HE1 TYR 2 4.590 -19.489 1.371 19 HE2 TYR 2 HE2 TYR 2 1.414 -22.325 1.629 20 HH TYR 2 HH TYR 2 4.360 -22.363 2.011 21 H GLY 3 HN GLY 3 -0.834 -16.898 5.950 22 1HA GLY 3 HA2 GLY 3 -2.367 -14.688 4.744 23 2HA GLY 3 HA1 GLY 3 -2.997 -15.569 6.125 24 H LYS 4 HN LYS 4 0.311 -15.374 6.459 25 HA LYS 4 HA LYS 4 0.044 -13.348 8.505 26 1HB LYS 4 HB2 LYS 4 1.440 -15.450 8.767 27 2HB LYS 4 HB1 LYS 4 2.569 -14.744 7.614 28 1HG LYS 4 HG2 LYS 4 3.432 -14.313 9.769 29 2HG LYS 4 HG1 LYS 4 2.783 -12.787 9.164 30 1HD LYS 4 HD2 LYS 4 0.665 -13.327 10.430 31 2HD LYS 4 HD1 LYS 4 1.555 -14.649 11.190 32 1HE LYS 4 HE2 LYS 4 2.511 -11.796 11.239 33 2HE LYS 4 HE1 LYS 4 1.450 -12.467 12.477 34 1HZ LYS 4 HZ1 LYS 4 3.261 -14.282 12.624 35 2HZ LYS 4 HZ2 LYS 4 3.530 -12.789 13.371 36 3HZ LYS 4 HZ3 LYS 4 4.254 -13.131 11.882 37 H LEU 5 HN LEU 5 1.068 -13.502 5.233 38 HA LEU 5 HA LEU 5 2.904 -11.438 5.111 39 1HB LEU 5 HB2 LEU 5 1.655 -12.960 3.258 40 2HB LEU 5 HB1 LEU 5 0.821 -11.438 3.011 41 HG LEU 5 HG LEU 5 2.681 -11.569 1.487 42 1HD1 LEU 5 HD11 LEU 5 3.683 -9.487 1.945 43 2HD1 LEU 5 HD12 LEU 5 3.529 -9.710 3.690 44 3HD1 LEU 5 HD13 LEU 5 2.094 -9.413 2.708 45 1HD2 LEU 5 HD21 LEU 5 4.883 -11.416 3.325 46 2HD2 LEU 5 HD22 LEU 5 4.610 -12.553 2.006 47 3HD2 LEU 5 HD23 LEU 5 3.965 -12.893 3.611 48 H ASN 6 HN ASN 6 -0.432 -11.399 5.929 49 HA ASN 6 HA ASN 6 -1.078 -8.755 5.331 50 1HB ASN 6 HB2 ASN 6 -2.491 -10.814 6.264 51 2HB ASN 6 HB1 ASN 6 -2.227 -9.942 7.770 52 1HD2 ASN 6 HD21 ASN 6 -4.030 -8.904 8.231 53 2HD2 ASN 6 HD22 ASN 6 -4.942 -7.927 7.138 54 H ASP 7 HN ASP 7 0.423 -10.221 8.166 55 HA ASP 7 HA ASP 7 0.393 -8.090 9.923 56 1HB ASP 7 HB2 ASP 7 1.599 -10.568 9.882 57 2HB ASP 7 HB1 ASP 7 2.981 -9.478 9.848 58 H LEU 8 HN LEU 8 2.260 -8.581 7.043 59 HA LEU 8 HA LEU 8 3.987 -6.305 7.526 60 1HB LEU 8 HB2 LEU 8 4.891 -8.250 6.365 61 2HB LEU 8 HB1 LEU 8 3.657 -8.113 5.128 62 HG LEU 8 HG LEU 8 5.959 -7.288 4.501 63 1HD1 LEU 8 HD11 LEU 8 3.458 -6.379 3.783 64 2HD1 LEU 8 HD12 LEU 8 4.971 -6.073 2.930 65 3HD1 LEU 8 HD13 LEU 8 4.369 -4.903 4.103 66 1HD2 LEU 8 HD21 LEU 8 5.213 -5.115 6.446 67 2HD2 LEU 8 HD22 LEU 8 6.494 -4.972 5.242 68 3HD2 LEU 8 HD23 LEU 8 6.615 -6.184 6.517 69 H LEU 9 HN LEU 9 1.019 -7.094 5.876 70 HA LEU 9 HA LEU 9 0.995 -4.837 4.143 71 1HB LEU 9 HB2 LEU 9 -0.974 -6.881 5.022 72 2HB LEU 9 HB1 LEU 9 -1.601 -5.404 4.321 73 HG LEU 9 HG LEU 9 0.395 -7.217 2.965 74 1HD1 LEU 9 HD11 LEU 9 -2.129 -7.935 3.419 75 2HD1 LEU 9 HD12 LEU 9 -1.287 -8.315 1.917 76 3HD1 LEU 9 HD13 LEU 9 -2.383 -6.936 1.988 77 1HD2 LEU 9 HD21 LEU 9 0.692 -5.110 2.033 78 2HD2 LEU 9 HD22 LEU 9 -1.017 -4.695 2.179 79 3HD2 LEU 9 HD23 LEU 9 -0.494 -5.858 0.961 80 H GLU 10 HN GLU 10 0.566 -5.149 7.495 81 HA GLU 10 HA GLU 10 -1.352 -3.058 7.871 82 1HB GLU 10 HB2 GLU 10 0.546 -4.467 9.744 83 2HB GLU 10 HB1 GLU 10 -0.541 -3.191 10.275 84 1HG GLU 10 HG2 GLU 10 -1.801 -5.368 8.756 85 2HG GLU 10 HG1 GLU 10 -1.135 -5.818 10.324 86 H ASP 11 HN ASP 11 2.178 -3.270 8.040 87 HA ASP 11 HA ASP 11 2.723 -0.731 9.036 88 1HB ASP 11 HB2 ASP 11 4.313 -2.724 8.533 89 2HB ASP 11 HB1 ASP 11 4.458 -1.999 6.935 90 H LEU 12 HN LEU 12 2.391 -1.767 5.656 91 HA LEU 12 HA LEU 12 2.952 0.633 4.414 92 1HB LEU 12 HB2 LEU 12 2.629 -0.648 2.631 93 2HB LEU 12 HB1 LEU 12 1.993 -1.907 3.661 94 HG LEU 12 HG LEU 12 0.009 0.142 2.911 95 1HD1 LEU 12 HD11 LEU 12 0.656 0.258 0.773 96 2HD1 LEU 12 HD12 LEU 12 -0.111 -1.324 0.656 97 3HD1 LEU 12 HD13 LEU 12 1.635 -1.205 0.873 98 1HD2 LEU 12 HD21 LEU 12 -1.124 -1.596 3.769 99 2HD2 LEU 12 HD22 LEU 12 0.187 -2.732 3.450 100 3HD2 LEU 12 HD23 LEU 12 -0.936 -2.299 2.162 101 H GLN 13 HN GLN 13 -0.277 -0.652 5.184 102 HA GLN 13 HA GLN 13 -1.754 1.564 4.447 103 1HB GLN 13 HB2 GLN 13 -2.534 -0.766 5.270 104 2HB GLN 13 HB1 GLN 13 -2.486 -0.053 6.876 105 1HG GLN 13 HG2 GLN 13 -3.909 1.813 5.514 106 2HG GLN 13 HG1 GLN 13 -4.402 0.330 4.696 107 1HE2 GLN 13 HE21 GLN 13 -5.004 -1.485 6.205 108 2HE2 GLN 13 HE22 GLN 13 -5.950 -1.066 7.588 109 H GLU 14 HN GLU 14 0.026 0.973 7.417 110 HA GLU 14 HA GLU 14 -0.978 3.325 8.742 111 1HB GLU 14 HB2 GLU 14 0.344 1.019 9.561 112 2HB GLU 14 HB1 GLU 14 1.550 2.283 9.760 113 1HG GLU 14 HG2 GLU 14 0.607 2.623 11.745 114 2HG GLU 14 HG1 GLU 14 -0.673 3.438 10.846 115 H VAL 15 HN VAL 15 1.663 2.498 6.653 116 HA VAL 15 HA VAL 15 3.286 4.750 7.211 117 HB VAL 15 HB VAL 15 3.798 2.516 5.888 118 1HG1 VAL 15 HG11 VAL 15 4.099 3.669 3.397 119 2HG1 VAL 15 HG12 VAL 15 2.465 4.121 3.866 120 3HG1 VAL 15 HG13 VAL 15 2.936 2.427 3.839 121 1HG2 VAL 15 HG21 VAL 15 5.822 3.497 5.123 122 2HG2 VAL 15 HG22 VAL 15 5.366 4.284 6.634 123 3HG2 VAL 15 HG23 VAL 15 5.100 5.110 5.095 124 H LEU 16 HN LEU 16 0.455 4.234 5.284 125 HA LEU 16 HA LEU 16 0.689 6.426 3.543 126 1HB LEU 16 HB2 LEU 16 -1.636 4.846 4.579 127 2HB LEU 16 HB1 LEU 16 -1.911 6.279 3.609 128 HG LEU 16 HG LEU 16 -2.017 4.509 2.080 129 1HD1 LEU 16 HD11 LEU 16 -0.121 6.414 1.766 130 2HD1 LEU 16 HD12 LEU 16 -0.549 5.225 0.538 131 3HD1 LEU 16 HD13 LEU 16 0.843 4.950 1.585 132 1HD2 LEU 16 HD21 LEU 16 -0.889 2.550 2.193 133 2HD2 LEU 16 HD22 LEU 16 -0.759 3.028 3.885 134 3HD2 LEU 16 HD23 LEU 16 0.590 3.307 2.787 135 H LYS 17 HN LYS 17 -0.495 6.119 6.840 136 HA LYS 17 HA LYS 17 -1.829 8.480 7.227 137 1HB LYS 17 HB2 LYS 17 -1.098 6.551 8.896 138 2HB LYS 17 HB1 LYS 17 0.176 7.696 9.295 139 1HG LYS 17 HG2 LYS 17 -1.372 8.344 10.817 140 2HG LYS 17 HG1 LYS 17 -1.883 9.355 9.462 141 1HD LYS 17 HD2 LYS 17 -3.056 6.694 10.270 142 2HD LYS 17 HD1 LYS 17 -3.812 8.279 10.453 143 1HE LYS 17 HE2 LYS 17 -3.878 8.551 8.041 144 2HE LYS 17 HE1 LYS 17 -3.045 7.013 7.823 145 1HZ LYS 17 HZ1 LYS 17 -4.910 5.844 8.225 146 2HZ LYS 17 HZ2 LYS 17 -5.686 7.269 7.747 147 3HZ LYS 17 HZ3 LYS 17 -5.489 6.924 9.391 148 H ASN 18 HN ASN 18 1.639 7.934 7.087 149 HA ASN 18 HA ASN 18 2.395 10.618 7.705 150 1HB ASN 18 HB2 ASN 18 3.721 8.146 6.916 151 2HB ASN 18 HB1 ASN 18 4.409 9.534 6.080 152 1HD2 ASN 18 HD21 ASN 18 4.915 11.422 7.508 153 2HD2 ASN 18 HD22 ASN 18 5.612 11.077 9.050 154 H LEU 19 HN LEU 19 1.774 8.797 4.780 155 HA LEU 19 HA LEU 19 2.535 10.666 2.866 156 1HB LEU 19 HB2 LEU 19 2.071 8.821 1.702 157 2HB LEU 19 HB1 LEU 19 1.082 8.182 2.991 158 HG LEU 19 HG LEU 19 -0.167 10.245 1.261 159 1HD1 LEU 19 HD11 LEU 19 -0.205 7.460 0.241 160 2HD1 LEU 19 HD12 LEU 19 1.206 8.449 -0.120 161 3HD1 LEU 19 HD13 LEU 19 -0.398 8.983 -0.619 162 1HD2 LEU 19 HD21 LEU 19 -1.977 8.377 1.483 163 2HD2 LEU 19 HD22 LEU 19 -1.637 9.463 2.829 164 3HD2 LEU 19 HD23 LEU 19 -0.959 7.836 2.813 165 H HIS 20 HN HIS 20 -0.482 10.321 4.660 166 HA HIS 20 HA HIS 20 -2.131 12.052 3.276 167 1HB HIS 20 HB2 HIS 20 -1.892 11.431 6.211 168 2HB HIS 20 HB1 HIS 20 -3.093 12.568 5.618 169 HD1 HIS 20 HD1 HIS 20 -5.222 11.617 4.734 170 HD2 HIS 20 HD2 HIS 20 -2.295 8.723 5.264 171 HE1 HIS 20 HE1 HIS 20 -6.392 9.415 4.418 172 HE2 HIS 20 HE2 HIS 20 -4.579 7.681 4.649 173 H LYS 21 HN LYS 21 0.471 12.796 5.506 174 HA LYS 21 HA LYS 21 -0.141 15.643 5.402 175 1HB LYS 21 HB2 LYS 21 2.187 14.413 6.843 176 2HB LYS 21 HB1 LYS 21 1.336 15.911 7.203 177 1HG LYS 21 HG2 LYS 21 0.135 13.169 7.467 178 2HG LYS 21 HG1 LYS 21 0.868 14.074 8.794 179 1HD LYS 21 HD2 LYS 21 -1.356 14.630 9.056 180 2HD LYS 21 HD1 LYS 21 -0.792 15.955 8.035 181 1HE LYS 21 HE2 LYS 21 -1.894 15.166 6.170 182 2HE LYS 21 HE1 LYS 21 -1.852 13.499 6.734 183 1HZ LYS 21 HZ1 LYS 21 -3.771 13.733 7.839 184 2HZ LYS 21 HZ2 LYS 21 -4.021 15.054 6.813 185 3HZ LYS 21 HZ3 LYS 21 -3.414 15.299 8.373 186 H ASN 22 HN ASN 22 1.471 13.652 3.359 187 HA ASN 22 HA ASN 22 3.206 15.859 2.533 188 1HB ASN 22 HB2 ASN 22 4.233 13.648 3.820 189 2HB ASN 22 HB1 ASN 22 4.486 13.271 2.118 190 1HD2 ASN 22 HD21 ASN 22 5.762 14.777 4.765 191 2HD2 ASN 22 HD22 ASN 22 6.901 15.810 3.979 192 H TRP 23 HN TRP 23 0.744 13.975 1.610 193 HA TRP 23 HA TRP 23 1.712 13.252 -1.009 194 1HB TRP 23 HB2 TRP 23 -0.142 11.979 -1.181 195 2HB TRP 23 HB1 TRP 23 -0.292 12.262 0.542 196 HD1 TRP 23 HD1 TRP 23 -2.564 13.085 1.257 197 HE1 TRP 23 HE1 TRP 23 -4.557 14.257 0.163 198 HE3 TRP 23 HE3 TRP 23 -0.581 13.715 -3.354 199 HZ2 TRP 23 HZ2 TRP 23 -5.207 15.296 -2.424 200 HZ3 TRP 23 HZ3 TRP 23 -1.917 14.766 -5.091 201 HH2 TRP 23 HH2 TRP 23 -4.195 15.552 -4.650 202 H HIS 24 HN HIS 24 -0.205 15.811 0.432 203 HA HIS 24 HA HIS 24 0.458 17.684 -1.539 204 1HB HIS 24 HB2 HIS 24 -1.018 16.429 -3.005 205 2HB HIS 24 HB1 HIS 24 -2.315 16.513 -1.819 206 HD1 HIS 24 HD1 HIS 24 -0.271 18.838 -4.017 207 HD2 HIS 24 HD2 HIS 24 -3.958 18.663 -2.107 208 HE1 HIS 24 HE1 HIS 24 -1.521 20.882 -4.781 209 HE2 HIS 24 HE2 HIS 24 -3.781 20.708 -3.681 210 H GLY 25 HN GLY 25 -2.214 16.747 0.624 211 1HA GLY 25 HA2 GLY 25 -1.961 18.337 2.702 212 2HA GLY 25 HA1 GLY 25 -2.442 19.527 1.505 213 H GLY 26 HN GLY 26 -3.632 18.101 4.017 214 1HA GLY 26 HA2 GLY 26 -5.833 17.964 4.721 215 2HA GLY 26 HA1 GLY 26 -6.347 18.264 3.067 216 H LYS 27 HN LYS 27 -5.797 15.914 5.490 217 HA LYS 27 HA LYS 27 -5.512 13.564 4.066 218 1HB LYS 27 HB2 LYS 27 -5.356 13.330 6.374 219 2HB LYS 27 HB1 LYS 27 -6.833 14.237 6.671 220 1HG LYS 27 HG2 LYS 27 -8.148 12.417 6.475 221 2HG LYS 27 HG1 LYS 27 -7.159 11.707 5.196 222 1HD LYS 27 HD2 LYS 27 -6.521 10.257 6.790 223 2HD LYS 27 HD1 LYS 27 -5.471 11.569 7.328 224 1HE LYS 27 HE2 LYS 27 -8.201 10.852 8.381 225 2HE LYS 27 HE1 LYS 27 -6.661 10.736 9.230 226 1HZ LYS 27 HZ1 LYS 27 -8.341 13.054 8.746 227 2HZ LYS 27 HZ2 LYS 27 -6.676 13.316 8.594 228 3HZ LYS 27 HZ3 LYS 27 -7.308 12.716 10.043 229 H ASP 28 HN ASP 28 -8.263 15.657 4.307 230 HA ASP 28 HA ASP 28 -10.362 13.954 3.692 231 1HB ASP 28 HB2 ASP 28 -9.989 16.772 2.653 232 2HB ASP 28 HB1 ASP 28 -11.516 15.909 2.815 233 H ASN 29 HN ASN 29 -7.822 15.233 1.657 234 HA ASN 29 HA ASN 29 -9.076 14.291 -0.785 235 1HB ASN 29 HB2 ASN 29 -7.315 16.308 -0.278 236 2HB ASN 29 HB1 ASN 29 -6.225 15.049 -0.848 237 1HD2 ASN 29 HD21 ASN 29 -8.528 17.393 -1.703 238 2HD2 ASN 29 HD22 ASN 29 -8.577 17.070 -3.400 239 H LEU 30 HN LEU 30 -6.342 13.439 1.287 240 HA LEU 30 HA LEU 30 -5.347 11.297 -0.249 241 1HB LEU 30 HB2 LEU 30 -4.290 12.517 1.744 242 2HB LEU 30 HB1 LEU 30 -5.264 11.477 2.752 243 HG LEU 30 HG LEU 30 -3.005 10.634 2.611 244 1HD1 LEU 30 HD11 LEU 30 -4.236 8.594 0.951 245 2HD1 LEU 30 HD12 LEU 30 -5.260 9.157 2.268 246 3HD1 LEU 30 HD13 LEU 30 -3.657 8.518 2.611 247 1HD2 LEU 30 HD21 LEU 30 -3.360 11.111 -0.259 248 2HD2 LEU 30 HD22 LEU 30 -2.573 9.581 0.144 249 3HD2 LEU 30 HD23 LEU 30 -1.895 11.101 0.721 250 H HIS 31 HN HIS 31 -7.900 11.552 2.142 251 HA HIS 31 HA HIS 31 -8.372 8.949 2.839 252 1HB HIS 31 HB2 HIS 31 -9.628 11.101 3.515 253 2HB HIS 31 HB1 HIS 31 -10.650 10.778 2.119 254 HD1 HIS 31 HD1 HIS 31 -11.561 8.090 2.200 255 HD2 HIS 31 HD2 HIS 31 -10.680 10.047 5.758 256 HE1 HIS 31 HE1 HIS 31 -12.793 6.821 3.989 257 HE2 HIS 31 HE2 HIS 31 -12.325 8.083 6.118 258 H ASP 32 HN ASP 32 -9.307 10.564 -0.160 259 HA ASP 32 HA ASP 32 -10.777 8.314 -1.150 260 1HB ASP 32 HB2 ASP 32 -10.014 10.994 -2.172 261 2HB ASP 32 HB1 ASP 32 -10.368 9.757 -3.373 262 H VAL 33 HN VAL 33 -7.456 9.236 -1.161 263 HA VAL 33 HA VAL 33 -6.835 7.464 -3.385 264 HB VAL 33 HB VAL 33 -5.746 9.763 -2.915 265 1HG1 VAL 33 HG11 VAL 33 -3.597 9.581 -1.693 266 2HG1 VAL 33 HG12 VAL 33 -4.117 8.008 -1.097 267 3HG1 VAL 33 HG13 VAL 33 -5.018 9.458 -0.663 268 1HG2 VAL 33 HG21 VAL 33 -4.756 8.929 -4.725 269 2HG2 VAL 33 HG22 VAL 33 -4.657 7.307 -4.040 270 3HG2 VAL 33 HG23 VAL 33 -3.438 8.516 -3.627 271 H ASP 34 HN ASP 34 -6.097 7.726 0.099 272 HA ASP 34 HA ASP 34 -4.691 5.237 0.137 273 1HB ASP 34 HB2 ASP 34 -4.014 6.659 1.858 274 2HB ASP 34 HB1 ASP 34 -5.667 7.115 2.266 275 H ASN 35 HN ASN 35 -8.032 6.195 0.454 276 HA ASN 35 HA ASN 35 -9.080 3.993 1.807 277 1HB ASN 35 HB2 ASN 35 -10.540 5.829 1.283 278 2HB ASN 35 HB1 ASN 35 -10.249 5.647 -0.444 279 1HD2 ASN 35 HD21 ASN 35 -10.996 3.623 -1.427 280 2HD2 ASN 35 HD22 ASN 35 -12.444 2.900 -0.825 281 H HIS 36 HN HIS 36 -7.923 4.382 -1.449 282 HA HIS 36 HA HIS 36 -8.905 1.983 -2.564 283 1HB HIS 36 HB2 HIS 36 -7.352 4.168 -3.422 284 2HB HIS 36 HB1 HIS 36 -6.308 2.760 -3.613 285 HD1 HIS 36 HD1 HIS 36 -8.949 0.921 -4.283 286 HD2 HIS 36 HD2 HIS 36 -7.613 4.341 -6.230 287 HE1 HIS 36 HE1 HIS 36 -9.919 0.798 -6.600 288 HE2 HIS 36 HE2 HIS 36 -9.034 2.838 -7.784 289 H LEU 37 HN LEU 37 -6.125 2.817 -0.635 290 HA LEU 37 HA LEU 37 -4.732 0.350 -0.911 291 1HB LEU 37 HB2 LEU 37 -3.863 2.650 -0.139 292 2HB LEU 37 HB1 LEU 37 -4.524 2.232 1.426 293 HG LEU 37 HG LEU 37 -2.484 1.427 1.847 294 1HD1 LEU 37 HD11 LEU 37 -3.704 -0.651 1.725 295 2HD1 LEU 37 HD12 LEU 37 -2.058 -0.891 1.140 296 3HD1 LEU 37 HD13 LEU 37 -3.391 -0.766 -0.008 297 1HD2 LEU 37 HD21 LEU 37 -0.996 0.651 -0.172 298 2HD2 LEU 37 HD22 LEU 37 -1.229 2.362 0.181 299 3HD2 LEU 37 HD23 LEU 37 -2.161 1.591 -1.102 300 H GLN 38 HN GLN 38 -6.316 1.748 1.955 301 HA GLN 38 HA GLN 38 -6.408 -0.471 3.551 302 1HB GLN 38 HB2 GLN 38 -7.188 1.947 4.015 303 2HB GLN 38 HB1 GLN 38 -8.749 1.410 3.411 304 1HG GLN 38 HG2 GLN 38 -8.576 -0.461 5.139 305 2HG GLN 38 HG1 GLN 38 -7.271 0.491 5.848 306 1HE2 GLN 38 HE21 GLN 38 -8.295 3.044 5.370 307 2HE2 GLN 38 HE22 GLN 38 -9.690 3.272 6.364 308 H ASN 39 HN ASN 39 -8.553 0.349 0.881 309 HA ASN 39 HA ASN 39 -10.455 -1.712 1.389 310 1HB ASN 39 HB2 ASN 39 -10.782 0.381 -0.049 311 2HB ASN 39 HB1 ASN 39 -9.886 -0.471 -1.305 312 1HD2 ASN 39 HD21 ASN 39 -10.837 -2.143 -2.393 313 2HD2 ASN 39 HD22 ASN 39 -12.513 -2.535 -2.248 314 H VAL 40 HN VAL 40 -7.429 -1.514 -0.344 315 HA VAL 40 HA VAL 40 -7.709 -3.978 -1.753 316 HB VAL 40 HB VAL 40 -5.302 -2.281 -1.092 317 1HG1 VAL 40 HG11 VAL 40 -5.360 -5.025 -1.982 318 2HG1 VAL 40 HG12 VAL 40 -3.984 -4.011 -1.545 319 3HG1 VAL 40 HG13 VAL 40 -4.613 -3.981 -3.192 320 1HG2 VAL 40 HG21 VAL 40 -5.598 -1.288 -3.094 321 2HG2 VAL 40 HG22 VAL 40 -7.264 -1.827 -2.883 322 3HG2 VAL 40 HG23 VAL 40 -6.149 -2.774 -3.867 323 H ILE 41 HN ILE 41 -6.374 -3.011 1.358 324 HA ILE 41 HA ILE 41 -4.955 -5.247 2.105 325 HB ILE 41 HB ILE 41 -6.792 -3.700 3.936 326 1HG1 ILE 41 HG12 ILE 41 -5.391 -2.118 2.775 327 2HG1 ILE 41 HG11 ILE 41 -4.756 -2.319 4.404 328 1HG2 ILE 41 HG21 ILE 41 -5.411 -4.421 5.718 329 2HG2 ILE 41 HG22 ILE 41 -4.207 -5.081 4.612 330 3HG2 ILE 41 HG23 ILE 41 -5.783 -5.857 4.764 331 1HD1 ILE 41 HD11 ILE 41 -2.982 -2.227 2.738 332 2HD1 ILE 41 HD12 ILE 41 -3.668 -3.635 1.926 333 3HD1 ILE 41 HD13 ILE 41 -3.017 -3.788 3.558 334 H GLU 42 HN GLU 42 -8.434 -4.781 2.030 335 HA GLU 42 HA GLU 42 -9.036 -7.260 3.343 336 1HB GLU 42 HB2 GLU 42 -11.305 -6.714 3.030 337 2HB GLU 42 HB1 GLU 42 -10.516 -5.157 3.238 338 1HG GLU 42 HG2 GLU 42 -11.447 -4.489 1.353 339 2HG GLU 42 HG1 GLU 42 -10.466 -5.669 0.487 340 H ASP 43 HN ASP 43 -8.368 -6.247 0.130 341 HA ASP 43 HA ASP 43 -9.465 -8.634 -1.060 342 1HB ASP 43 HB2 ASP 43 -8.106 -6.175 -2.054 343 2HB ASP 43 HB1 ASP 43 -7.965 -7.626 -3.042 344 H ILE 44 HN ILE 44 -6.445 -7.509 0.237 345 HA ILE 44 HA ILE 44 -4.962 -9.709 -0.940 346 HB ILE 44 HB ILE 44 -3.641 -8.222 1.219 347 1HG1 ILE 44 HG12 ILE 44 -4.716 -6.824 -1.219 348 2HG1 ILE 44 HG11 ILE 44 -4.748 -6.298 0.460 349 1HG2 ILE 44 HG21 ILE 44 -2.377 -8.146 -1.369 350 2HG2 ILE 44 HG22 ILE 44 -2.932 -9.775 -0.988 351 3HG2 ILE 44 HG23 ILE 44 -1.849 -8.932 0.119 352 1HD1 ILE 44 HD11 ILE 44 -3.045 -4.988 -0.096 353 2HD1 ILE 44 HD12 ILE 44 -2.746 -5.869 -1.594 354 3HD1 ILE 44 HD13 ILE 44 -2.066 -6.454 -0.076 355 H HIS 45 HN HIS 45 -5.788 -8.629 2.360 356 HA HIS 45 HA HIS 45 -4.765 -10.910 3.634 357 1HB HIS 45 HB2 HIS 45 -5.497 -9.970 5.570 358 2HB HIS 45 HB1 HIS 45 -5.692 -8.556 4.543 359 HD1 HIS 45 HD1 HIS 45 -7.387 -9.773 7.174 360 HD2 HIS 45 HD2 HIS 45 -8.587 -9.203 3.240 361 HE1 HIS 45 HE1 HIS 45 -9.896 -9.613 7.256 362 HE2 HIS 45 HE2 HIS 45 -10.594 -9.174 4.875 363 H ASP 46 HN ASP 46 -7.759 -10.343 1.960 364 HA ASP 46 HA ASP 46 -8.992 -12.748 3.030 365 1HB ASP 46 HB2 ASP 46 -10.297 -10.654 2.461 366 2HB ASP 46 HB1 ASP 46 -9.987 -11.011 0.765 367 H PHE 47 HN PHE 47 -7.321 -11.634 0.180 368 HA PHE 47 HA PHE 47 -7.912 -14.031 -1.337 369 1HB PHE 47 HB2 PHE 47 -6.259 -11.587 -1.845 370 2HB PHE 47 HB1 PHE 47 -6.043 -13.011 -2.853 371 HD1 PHE 47 HD1 PHE 47 -9.197 -11.716 -1.383 372 HD2 PHE 47 HD2 PHE 47 -6.899 -12.346 -4.908 373 HE1 PHE 47 HE1 PHE 47 -11.130 -11.056 -2.756 374 HE2 PHE 47 HE2 PHE 47 -8.826 -11.686 -6.288 375 HZ PHE 47 HZ PHE 47 -10.945 -11.039 -5.212 376 H MET 48 HN MET 48 -5.043 -12.695 0.285 377 HA MET 48 HA MET 48 -3.170 -14.578 -0.418 378 1HB MET 48 HB2 MET 48 -1.926 -13.950 1.522 379 2HB MET 48 HB1 MET 48 -2.757 -12.518 0.933 380 1HG MET 48 HG2 MET 48 -4.466 -12.809 2.661 381 2HG MET 48 HG1 MET 48 -3.609 -14.230 3.256 382 1HE MET 48 HE1 MET 48 -1.715 -10.032 3.255 383 2HE MET 48 HE2 MET 48 -3.006 -10.575 2.181 384 3HE MET 48 HE3 MET 48 -1.369 -11.197 1.977 385 H GLN 49 HN GLN 49 -5.897 -14.988 1.673 386 HA GLN 49 HA GLN 49 -4.858 -17.456 2.800 387 1HB GLN 49 HB2 GLN 49 -7.503 -16.044 3.174 388 2HB GLN 49 HB1 GLN 49 -7.039 -17.523 4.005 389 1HG GLN 49 HG2 GLN 49 -5.287 -16.413 5.169 390 2HG GLN 49 HG1 GLN 49 -5.483 -14.959 4.192 391 1HE2 GLN 49 HE21 GLN 49 -5.692 -13.847 6.219 392 2HE2 GLN 49 HE22 GLN 49 -7.212 -13.830 7.041 393 H GLY 50 HN GLY 50 -5.788 -16.910 -0.151 394 1HA GLY 50 HA2 GLY 50 -6.232 -18.758 -1.621 395 2HA GLY 50 HA1 GLY 50 -7.222 -19.471 -0.358 396 H GLY 51 HN GLY 51 -7.494 -16.080 -1.091 397 1HA GLY 51 HA2 GLY 51 -10.205 -16.597 -2.106 398 2HA GLY 51 HA1 GLY 51 -9.652 -15.089 -1.396 399 H GLY 52 HN GLY 52 -7.713 -16.777 -3.749 400 1HA GLY 52 HA2 GLY 52 -7.714 -16.420 -6.114 401 2HA GLY 52 HA1 GLY 52 -8.613 -14.934 -5.855 402 H SER 53 HN SER 53 -5.853 -15.729 -3.890 403 HA SER 53 HA SER 53 -4.551 -13.294 -4.457 404 1HB SER 53 HB2 SER 53 -4.292 -15.310 -2.553 405 2HB SER 53 HB1 SER 53 -2.763 -15.351 -3.429 406 HG SER 53 HG SER 53 -2.360 -13.786 -2.039 407 H GLY 54 HN GLY 54 -4.625 -16.236 -6.178 408 1HA GLY 54 HA2 GLY 54 -2.021 -15.899 -7.410 409 2HA GLY 54 HA1 GLY 54 -3.195 -17.154 -7.775 410 H GLY 55 HN GLY 55 -2.615 -13.673 -8.169 411 1HA GLY 55 HA2 GLY 55 -2.588 -13.069 -10.644 412 2HA GLY 55 HA1 GLY 55 -4.193 -13.783 -10.661 413 H LYS 56 HN LYS 56 -4.296 -12.525 -7.772 414 HA LYS 56 HA LYS 56 -5.572 -10.078 -8.678 415 1HB LYS 56 HB2 LYS 56 -6.934 -11.172 -7.151 416 2HB LYS 56 HB1 LYS 56 -5.580 -11.702 -6.167 417 1HG LYS 56 HG2 LYS 56 -5.987 -8.796 -6.250 418 2HG LYS 56 HG1 LYS 56 -7.287 -9.719 -5.495 419 1HD LYS 56 HD2 LYS 56 -5.825 -10.652 -3.890 420 2HD LYS 56 HD1 LYS 56 -4.394 -10.120 -4.774 421 1HE LYS 56 HE2 LYS 56 -6.136 -7.905 -4.092 422 2HE LYS 56 HE1 LYS 56 -5.627 -8.808 -2.667 423 1HZ LYS 56 HZ1 LYS 56 -3.595 -8.113 -4.650 424 2HZ LYS 56 HZ2 LYS 56 -3.459 -8.254 -2.972 425 3HZ LYS 56 HZ3 LYS 56 -4.174 -6.879 -3.648 426 H LEU 57 HN LEU 57 -2.700 -11.082 -6.989 427 HA LEU 57 HA LEU 57 -2.128 -8.563 -5.822 428 1HB LEU 57 HB2 LEU 57 -0.841 -11.154 -6.023 429 2HB LEU 57 HB1 LEU 57 0.315 -9.848 -6.174 430 HG LEU 57 HG LEU 57 0.303 -10.355 -3.891 431 1HD1 LEU 57 HD11 LEU 57 -1.708 -8.124 -4.044 432 2HD1 LEU 57 HD12 LEU 57 -0.001 -7.922 -4.437 433 3HD1 LEU 57 HD13 LEU 57 -0.483 -8.400 -2.810 434 1HD2 LEU 57 HD21 LEU 57 -2.076 -11.535 -4.307 435 2HD2 LEU 57 HD22 LEU 57 -2.592 -10.095 -3.429 436 3HD2 LEU 57 HD23 LEU 57 -1.418 -11.194 -2.708 437 H GLN 58 HN GLN 58 -2.083 -9.515 -9.050 438 HA GLN 58 HA GLN 58 0.153 -7.816 -9.752 439 1HB GLN 58 HB2 GLN 58 -0.088 -8.584 -11.981 440 2HB GLN 58 HB1 GLN 58 -0.372 -9.981 -10.953 441 1HG GLN 58 HG2 GLN 58 -2.836 -9.503 -11.202 442 2HG GLN 58 HG1 GLN 58 -2.393 -8.348 -12.456 443 1HE2 GLN 58 HE21 GLN 58 -2.424 -9.104 -14.440 444 2HE2 GLN 58 HE22 GLN 58 -2.220 -10.754 -14.909 445 H GLU 59 HN GLU 59 -3.348 -7.836 -10.377 446 HA GLU 59 HA GLU 59 -3.205 -5.146 -11.443 447 1HB GLU 59 HB2 GLU 59 -5.178 -7.319 -11.398 448 2HB GLU 59 HB1 GLU 59 -5.881 -5.721 -11.198 449 1HG GLU 59 HG2 GLU 59 -3.906 -5.895 -13.344 450 2HG GLU 59 HG1 GLU 59 -5.325 -6.914 -13.579 451 H MET 60 HN MET 60 -4.158 -6.769 -8.499 452 HA MET 60 HA MET 60 -5.448 -4.456 -7.388 453 1HB MET 60 HB2 MET 60 -5.841 -6.964 -6.825 454 2HB MET 60 HB1 MET 60 -4.473 -6.760 -5.740 455 1HG MET 60 HG2 MET 60 -5.835 -5.942 -4.209 456 2HG MET 60 HG1 MET 60 -6.196 -4.588 -5.275 457 1HE MET 60 HE1 MET 60 -7.928 -5.415 -7.573 458 2HE MET 60 HE2 MET 60 -8.369 -4.167 -6.408 459 3HE MET 60 HE3 MET 60 -9.539 -5.407 -6.857 460 H MET 61 HN MET 61 -2.207 -5.830 -7.339 461 HA MET 61 HA MET 61 -1.221 -4.442 -5.093 462 1HB MET 61 HB2 MET 61 0.133 -6.163 -6.002 463 2HB MET 61 HB1 MET 61 0.128 -5.434 -7.601 464 1HG MET 61 HG2 MET 61 1.253 -3.538 -5.849 465 2HG MET 61 HG1 MET 61 1.976 -5.094 -5.452 466 1HE MET 61 HE1 MET 61 4.570 -3.482 -6.773 467 2HE MET 61 HE2 MET 61 3.168 -2.511 -6.324 468 3HE MET 61 HE3 MET 61 3.828 -2.402 -7.955 469 H LYS 62 HN LYS 62 -1.490 -3.474 -8.484 470 HA LYS 62 HA LYS 62 -0.131 -1.027 -8.284 471 1HB LYS 62 HB2 LYS 62 -2.213 -2.118 -10.142 472 2HB LYS 62 HB1 LYS 62 -1.762 -0.421 -10.247 473 1HG LYS 62 HG2 LYS 62 0.672 -1.409 -10.314 474 2HG LYS 62 HG1 LYS 62 -0.174 -2.851 -10.881 475 1HD LYS 62 HD2 LYS 62 -0.390 -0.098 -12.101 476 2HD LYS 62 HD1 LYS 62 0.577 -1.429 -12.740 477 1HE LYS 62 HE2 LYS 62 -2.247 -2.069 -12.228 478 2HE LYS 62 HE1 LYS 62 -1.970 -0.874 -13.495 479 1HZ LYS 62 HZ1 LYS 62 -1.036 -2.394 -14.846 480 2HZ LYS 62 HZ2 LYS 62 -1.928 -3.493 -13.920 481 3HZ LYS 62 HZ3 LYS 62 -0.289 -3.243 -13.587 482 H GLU 63 HN GLU 63 -3.185 -2.016 -7.084 483 HA GLU 63 HA GLU 63 -4.420 0.555 -7.009 484 1HB GLU 63 HB2 GLU 63 -5.507 -1.803 -6.900 485 2HB GLU 63 HB1 GLU 63 -5.162 -1.699 -5.179 486 1HG GLU 63 HG2 GLU 63 -6.563 0.182 -4.912 487 2HG GLU 63 HG1 GLU 63 -6.701 0.413 -6.654 488 H PHE 64 HN PHE 64 -2.320 -1.241 -4.828 489 HA PHE 64 HA PHE 64 -2.781 0.668 -2.698 490 1HB PHE 64 HB2 PHE 64 -1.613 -0.779 -1.283 491 2HB PHE 64 HB1 PHE 64 -2.411 -1.875 -2.400 492 HD1 PHE 64 HD1 PHE 64 -1.209 -3.565 -3.328 493 HD2 PHE 64 HD2 PHE 64 0.843 -0.092 -1.976 494 HE1 PHE 64 HE1 PHE 64 0.941 -4.655 -3.808 495 HE2 PHE 64 HE2 PHE 64 2.997 -1.176 -2.463 496 HZ PHE 64 HZ PHE 64 3.045 -3.457 -3.375 497 H GLN 65 HN GLN 65 -0.567 0.051 -5.263 498 HA GLN 65 HA GLN 65 1.486 1.820 -4.251 499 1HB GLN 65 HB2 GLN 65 1.469 -0.253 -6.076 500 2HB GLN 65 HB1 GLN 65 1.570 1.167 -7.108 501 1HG GLN 65 HG2 GLN 65 3.458 1.858 -5.418 502 2HG GLN 65 HG1 GLN 65 3.515 0.121 -5.121 503 1HE2 GLN 65 HE21 GLN 65 5.710 1.305 -6.113 504 2HE2 GLN 65 HE22 GLN 65 5.940 0.881 -7.772 505 H GLN 66 HN GLN 66 -1.247 1.908 -6.429 506 HA GLN 66 HA GLN 66 -0.706 4.280 -7.809 507 1HB GLN 66 HB2 GLN 66 -2.501 2.787 -8.489 508 2HB GLN 66 HB1 GLN 66 -3.361 3.087 -6.986 509 1HG GLN 66 HG2 GLN 66 -2.975 5.610 -8.069 510 2HG GLN 66 HG1 GLN 66 -3.361 4.589 -9.454 511 1HE2 GLN 66 HE21 GLN 66 -5.082 6.542 -8.822 512 2HE2 GLN 66 HE22 GLN 66 -6.522 5.893 -8.123 513 H VAL 67 HN VAL 67 -2.005 3.700 -4.612 514 HA VAL 67 HA VAL 67 -3.070 6.205 -4.008 515 HB VAL 67 HB VAL 67 -1.605 4.260 -2.201 516 1HG1 VAL 67 HG11 VAL 67 -2.285 5.405 -0.337 517 2HG1 VAL 67 HG12 VAL 67 -3.620 6.194 -1.172 518 3HG1 VAL 67 HG13 VAL 67 -1.968 6.747 -1.436 519 1HG2 VAL 67 HG21 VAL 67 -3.388 2.999 -2.695 520 2HG2 VAL 67 HG22 VAL 67 -4.305 4.367 -3.327 521 3HG2 VAL 67 HG23 VAL 67 -4.246 4.074 -1.589 522 H LEU 68 HN LEU 68 0.243 5.041 -3.957 523 HA LEU 68 HA LEU 68 1.345 7.441 -2.833 524 1HB LEU 68 HB2 LEU 68 2.363 4.883 -3.909 525 2HB LEU 68 HB1 LEU 68 3.458 6.253 -3.975 526 HG LEU 68 HG LEU 68 2.667 6.501 -1.433 527 1HD1 LEU 68 HD11 LEU 68 2.926 3.720 -1.020 528 2HD1 LEU 68 HD12 LEU 68 1.638 3.952 -2.201 529 3HD1 LEU 68 HD13 LEU 68 1.554 4.759 -0.634 530 1HD2 LEU 68 HD21 LEU 68 4.916 5.338 -2.831 531 2HD2 LEU 68 HD22 LEU 68 4.672 4.562 -1.265 532 3HD2 LEU 68 HD23 LEU 68 4.888 6.310 -1.361 533 H ASP 69 HN ASP 69 0.046 6.709 -5.829 534 HA ASP 69 HA ASP 69 1.828 8.187 -7.512 535 1HB ASP 69 HB2 ASP 69 0.135 6.351 -8.203 536 2HB ASP 69 HB1 ASP 69 -1.066 7.638 -8.143 537 H GLU 70 HN GLU 70 -1.514 8.809 -6.381 538 HA GLU 70 HA GLU 70 -1.731 11.471 -7.176 539 1HB GLU 70 HB2 GLU 70 -3.436 9.852 -5.957 540 2HB GLU 70 HB1 GLU 70 -2.793 10.602 -4.499 541 1HG GLU 70 HG2 GLU 70 -4.881 11.630 -5.358 542 2HG GLU 70 HG1 GLU 70 -3.533 12.750 -5.175 543 H LEU 71 HN LEU 71 -0.202 9.968 -4.489 544 HA LEU 71 HA LEU 71 0.418 12.273 -2.970 545 1HB LEU 71 HB2 LEU 71 0.257 10.266 -1.821 546 2HB LEU 71 HB1 LEU 71 1.185 9.394 -3.017 547 HG LEU 71 HG LEU 71 3.013 11.204 -1.983 548 1HD1 LEU 71 HD11 LEU 71 0.901 10.791 -0.084 549 2HD1 LEU 71 HD12 LEU 71 2.328 11.813 0.039 550 3HD1 LEU 71 HD13 LEU 71 2.412 10.117 0.515 551 1HD2 LEU 71 HD21 LEU 71 3.635 9.006 -0.664 552 2HD2 LEU 71 HD22 LEU 71 3.813 9.112 -2.415 553 3HD2 LEU 71 HD23 LEU 71 2.409 8.316 -1.717 554 H ASN 72 HN ASN 72 2.629 10.032 -4.642 555 HA ASN 72 HA ASN 72 4.909 11.559 -4.501 556 1HB ASN 72 HB2 ASN 72 4.584 9.148 -5.355 557 2HB ASN 72 HB1 ASN 72 4.304 9.889 -6.928 558 1HD2 ASN 72 HD21 ASN 72 6.519 8.257 -5.475 559 2HD2 ASN 72 HD22 ASN 72 7.965 9.055 -5.984 560 H ASN 73 HN ASN 73 2.171 12.037 -6.563 561 HA ASN 73 HA ASN 73 3.602 13.764 -8.390 562 1HB ASN 73 HB2 ASN 73 1.258 12.276 -8.547 563 2HB ASN 73 HB1 ASN 73 0.701 13.945 -8.519 564 1HD2 ASN 73 HD21 ASN 73 1.756 15.423 -10.061 565 2HD2 ASN 73 HD22 ASN 73 2.190 14.805 -11.614 566 H HIS 74 HN HIS 74 2.679 14.221 -5.295 567 HA HIS 74 HA HIS 74 2.564 17.102 -5.649 568 1HB HIS 74 HB2 HIS 74 0.262 15.476 -4.665 569 2HB HIS 74 HB1 HIS 74 0.558 17.051 -3.937 570 HD1 HIS 74 HD1 HIS 74 1.583 18.080 -6.939 571 HD2 HIS 74 HD2 HIS 74 -2.118 16.595 -5.772 572 HE1 HIS 74 HE1 HIS 74 -0.056 18.956 -8.630 573 HE2 HIS 74 HE2 HIS 74 -2.299 18.109 -7.859 574 H LEU 75 HN LEU 75 4.546 15.378 -4.492 575 HA LEU 75 HA LEU 75 4.487 15.210 -1.709 576 1HB LEU 75 HB2 LEU 75 6.520 15.236 -3.791 577 2HB LEU 75 HB1 LEU 75 7.083 16.049 -2.346 578 HG LEU 75 HG LEU 75 7.795 13.927 -1.935 579 1HD1 LEU 75 HD11 LEU 75 5.883 14.769 -0.305 580 2HD1 LEU 75 HD12 LEU 75 6.664 13.203 -0.096 581 3HD1 LEU 75 HD13 LEU 75 5.094 13.306 -0.887 582 1HD2 LEU 75 HD21 LEU 75 7.247 12.487 -3.547 583 2HD2 LEU 75 HD22 LEU 75 5.642 13.187 -3.760 584 3HD2 LEU 75 HD23 LEU 75 5.931 12.021 -2.470 585 H GLN 76 HN GLN 76 3.325 17.015 -0.973 586 HA GLN 76 HA GLN 76 4.224 19.666 -1.513 587 1HB GLN 76 HB2 GLN 76 1.914 18.422 -0.352 588 2HB GLN 76 HB1 GLN 76 2.476 19.710 0.705 589 1HG GLN 76 HG2 GLN 76 2.477 20.547 -2.056 590 2HG GLN 76 HG1 GLN 76 0.889 19.963 -1.558 591 1HE2 GLN 76 HE21 GLN 76 0.007 20.890 0.437 592 2HE2 GLN 76 HE22 GLN 76 0.345 22.546 0.798 593 H GLY 77 HN GLY 77 4.467 17.460 1.259 594 1HA GLY 77 HA2 GLY 77 5.956 19.514 2.737 595 2HA GLY 77 HA1 GLY 77 5.272 18.053 3.423 596 H GLY 78 HN GLY 78 7.143 17.869 0.478 597 1HA GLY 78 HA2 GLY 78 9.401 17.324 0.188 598 2HA GLY 78 HA1 GLY 78 9.576 17.216 1.932 599 H LYS 79 HN LYS 79 9.892 15.467 -0.693 600 HA LYS 79 HA LYS 79 8.430 13.157 -0.490 601 1HB LYS 79 HB2 LYS 79 10.663 12.048 -1.346 602 2HB LYS 79 HB1 LYS 79 9.714 13.115 -2.367 603 1HG LYS 79 HG2 LYS 79 12.065 13.624 -2.560 604 2HG LYS 79 HG1 LYS 79 11.216 14.972 -1.810 605 1HD LYS 79 HD2 LYS 79 12.159 13.108 0.181 606 2HD LYS 79 HD1 LYS 79 13.481 13.650 -0.852 607 1HE LYS 79 HE2 LYS 79 11.645 15.764 0.040 608 2HE LYS 79 HE1 LYS 79 12.577 14.994 1.323 609 1HZ LYS 79 HZ1 LYS 79 14.595 15.450 -0.006 610 2HZ LYS 79 HZ2 LYS 79 13.796 16.853 0.498 611 3HZ LYS 79 HZ3 LYS 79 13.649 16.326 -1.103 612 H HIS 80 HN HIS 80 10.798 14.250 1.753 613 HA HIS 80 HA HIS 80 11.933 12.051 2.826 614 1HB HIS 80 HB2 HIS 80 11.936 14.506 3.664 615 2HB HIS 80 HB1 HIS 80 10.589 13.998 4.676 616 HD1 HIS 80 HD1 HIS 80 11.613 13.909 6.946 617 HD2 HIS 80 HD2 HIS 80 13.942 11.984 4.093 618 HE1 HIS 80 HE1 HIS 80 13.474 12.807 8.229 619 HE2 HIS 80 HE2 HIS 80 14.827 11.585 6.490 620 H THR 81 HN THR 81 8.557 12.970 3.204 621 HA THR 81 HA THR 81 7.898 10.929 5.082 622 HB THR 81 HB THR 81 6.400 12.820 3.337 623 HG1 THR 81 HG1 THR 81 6.147 12.209 6.087 624 1HG2 THR 81 HG21 THR 81 4.344 11.687 4.683 625 2HG2 THR 81 HG22 THR 81 5.279 10.262 4.221 626 3HG2 THR 81 HG23 THR 81 4.720 11.398 2.982 627 H VAL 82 HN VAL 82 6.685 11.251 1.777 628 HA VAL 82 HA VAL 82 5.890 8.659 1.367 629 HB VAL 82 HB VAL 82 7.171 10.408 -0.740 630 1HG1 VAL 82 HG11 VAL 82 5.659 9.173 -2.267 631 2HG1 VAL 82 HG12 VAL 82 5.199 8.131 -0.921 632 3HG1 VAL 82 HG13 VAL 82 6.864 8.139 -1.500 633 1HG2 VAL 82 HG21 VAL 82 4.783 11.096 -1.178 634 2HG2 VAL 82 HG22 VAL 82 5.494 11.717 0.310 635 3HG2 VAL 82 HG23 VAL 82 4.374 10.362 0.372 636 H HIS 83 HN HIS 83 9.174 9.986 1.076 637 HA HIS 83 HA HIS 83 10.431 7.885 -0.210 638 1HB HIS 83 HB2 HIS 83 11.249 10.134 1.329 639 2HB HIS 83 HB1 HIS 83 12.105 8.736 1.961 640 HD1 HIS 83 HD1 HIS 83 14.339 8.644 0.929 641 HD2 HIS 83 HD2 HIS 83 11.439 9.853 -1.791 642 HE1 HIS 83 HE1 HIS 83 15.548 8.934 -1.258 643 HE2 HIS 83 HE2 HIS 83 13.789 9.746 -2.868 644 H HIS 84 HN HIS 84 9.519 8.233 3.174 645 HA HIS 84 HA HIS 84 10.612 5.690 3.937 646 1HB HIS 84 HB2 HIS 84 10.277 7.694 5.476 647 2HB HIS 84 HB1 HIS 84 8.562 7.296 5.467 648 HD1 HIS 84 HD1 HIS 84 7.798 5.383 6.940 649 HD2 HIS 84 HD2 HIS 84 11.932 5.770 6.787 650 HE1 HIS 84 HE1 HIS 84 8.683 3.849 8.724 651 HE2 HIS 84 HE2 HIS 84 11.190 4.023 8.545 652 H ILE 85 HN ILE 85 7.574 6.864 2.723 653 HA ILE 85 HA ILE 85 6.176 4.440 3.436 654 HB ILE 85 HB ILE 85 4.243 5.493 3.009 655 1HG1 ILE 85 HG12 ILE 85 5.188 7.189 0.747 656 2HG1 ILE 85 HG11 ILE 85 4.855 5.484 0.482 657 1HG2 ILE 85 HG21 ILE 85 4.354 7.977 3.086 658 2HG2 ILE 85 HG22 ILE 85 6.106 7.821 3.017 659 3HG2 ILE 85 HG23 ILE 85 5.216 7.127 4.369 660 1HD1 ILE 85 HD11 ILE 85 2.637 5.763 0.610 661 2HD1 ILE 85 HD12 ILE 85 3.018 7.445 0.252 662 3HD1 ILE 85 HD13 ILE 85 2.755 6.936 1.918 663 H GLU 86 HN GLU 86 7.716 5.816 0.606 664 HA GLU 86 HA GLU 86 6.718 3.820 -1.201 665 1HB GLU 86 HB2 GLU 86 8.659 4.685 -2.665 666 2HB GLU 86 HB1 GLU 86 7.340 5.787 -2.308 667 1HG GLU 86 HG2 GLU 86 8.704 7.237 -1.361 668 2HG GLU 86 HG1 GLU 86 9.418 5.999 -0.334 669 H GLN 87 HN GLN 87 9.891 4.382 0.385 670 HA GLN 87 HA GLN 87 11.141 2.073 -0.558 671 1HB GLN 87 HB2 GLN 87 11.454 3.575 2.044 672 2HB GLN 87 HB1 GLN 87 12.463 2.200 1.624 673 1HG GLN 87 HG2 GLN 87 12.373 4.922 0.400 674 2HG GLN 87 HG1 GLN 87 13.755 4.008 0.999 675 1HE2 GLN 87 HE21 GLN 87 11.334 4.109 -1.561 676 2HE2 GLN 87 HE22 GLN 87 12.316 3.370 -2.774 677 H ASN 88 HN ASN 88 8.703 2.564 1.835 678 HA ASN 88 HA ASN 88 8.892 -0.100 2.933 679 1HB ASN 88 HB2 ASN 88 7.318 2.349 3.486 680 2HB ASN 88 HB1 ASN 88 6.517 0.822 3.844 681 1HD2 ASN 88 HD21 ASN 88 9.551 2.560 4.369 682 2HD2 ASN 88 HD22 ASN 88 9.839 1.935 5.954 683 H ILE 89 HN ILE 89 6.193 1.676 1.395 684 HA ILE 89 HA ILE 89 4.619 -0.496 0.788 685 HB ILE 89 HB ILE 89 4.605 2.270 0.069 686 1HG1 ILE 89 HG12 ILE 89 2.224 0.773 -0.617 687 2HG1 ILE 89 HG11 ILE 89 2.879 0.278 0.938 688 1HG2 ILE 89 HG21 ILE 89 5.247 1.450 -2.212 689 2HG2 ILE 89 HG22 ILE 89 3.690 2.276 -2.143 690 3HG2 ILE 89 HG23 ILE 89 3.747 0.517 -2.232 691 1HD1 ILE 89 HD11 ILE 89 2.942 3.074 0.959 692 2HD1 ILE 89 HD12 ILE 89 1.845 2.008 1.840 693 3HD1 ILE 89 HD13 ILE 89 1.386 2.626 0.255 694 H LYS 90 HN LYS 90 7.419 0.689 -0.972 695 HA LYS 90 HA LYS 90 6.904 -0.857 -3.273 696 1HB LYS 90 HB2 LYS 90 9.164 0.739 -2.276 697 2HB LYS 90 HB1 LYS 90 9.646 -0.633 -3.256 698 1HG LYS 90 HG2 LYS 90 9.374 0.800 -4.953 699 2HG LYS 90 HG1 LYS 90 7.669 0.377 -4.785 700 1HD LYS 90 HD2 LYS 90 7.128 2.377 -3.825 701 2HD LYS 90 HD1 LYS 90 8.720 2.578 -3.090 702 1HE LYS 90 HE2 LYS 90 8.590 4.221 -4.772 703 2HE LYS 90 HE1 LYS 90 9.603 2.941 -5.437 704 1HZ LYS 90 HZ1 LYS 90 7.894 2.214 -6.825 705 2HZ LYS 90 HZ2 LYS 90 7.801 3.899 -6.924 706 3HZ LYS 90 HZ3 LYS 90 6.696 3.047 -5.967 707 H GLU 91 HN GLU 91 8.177 -1.549 -0.156 708 HA GLU 91 HA GLU 91 9.329 -4.098 -0.935 709 1HB GLU 91 HB2 GLU 91 9.303 -2.413 1.492 710 2HB GLU 91 HB1 GLU 91 9.296 -4.146 1.786 711 1HG GLU 91 HG2 GLU 91 11.253 -3.138 -0.184 712 2HG GLU 91 HG1 GLU 91 11.528 -2.720 1.507 713 H ILE 92 HN ILE 92 6.281 -2.935 -0.397 714 HA ILE 92 HA ILE 92 5.173 -5.137 1.065 715 HB ILE 92 HB ILE 92 4.111 -2.661 -0.203 716 1HG1 ILE 92 HG12 ILE 92 3.009 -2.477 2.011 717 2HG1 ILE 92 HG11 ILE 92 3.740 -4.011 2.466 718 1HG2 ILE 92 HG21 ILE 92 2.584 -4.298 -1.107 719 2HG2 ILE 92 HG22 ILE 92 1.791 -3.349 0.153 720 3HG2 ILE 92 HG23 ILE 92 2.344 -4.991 0.498 721 1HD1 ILE 92 HD11 ILE 92 5.723 -2.217 1.453 722 2HD1 ILE 92 HD12 ILE 92 5.625 -3.008 3.026 723 3HD1 ILE 92 HD13 ILE 92 4.818 -1.462 2.762 724 H PHE 93 HN PHE 93 4.816 -3.913 -2.264 725 HA PHE 93 HA PHE 93 3.385 -5.957 -3.388 726 1HB PHE 93 HB2 PHE 93 3.938 -5.035 -5.399 727 2HB PHE 93 HB1 PHE 93 4.553 -3.744 -4.372 728 HD1 PHE 93 HD1 PHE 93 5.582 -6.838 -6.137 729 HD2 PHE 93 HD2 PHE 93 6.777 -3.110 -4.476 730 HE1 PHE 93 HE1 PHE 93 7.822 -7.144 -7.088 731 HE2 PHE 93 HE2 PHE 93 9.026 -3.400 -5.438 732 HZ PHE 93 HZ PHE 93 9.553 -5.420 -6.748 733 H HIS 94 HN HIS 94 6.898 -5.834 -2.879 734 HA HIS 94 HA HIS 94 7.564 -8.246 -4.121 735 1HB HIS 94 HB2 HIS 94 8.988 -6.298 -2.871 736 2HB HIS 94 HB1 HIS 94 9.067 -7.574 -1.660 737 HD1 HIS 94 HD1 HIS 94 9.140 -8.193 -5.380 738 HD2 HIS 94 HD2 HIS 94 11.684 -8.304 -2.097 739 HE1 HIS 94 HE1 HIS 94 11.255 -9.272 -6.206 740 HE2 HIS 94 HE2 HIS 94 12.810 -9.254 -4.224 741 H HIS 95 HN HIS 95 7.149 -7.664 -0.628 742 HA HIS 95 HA HIS 95 7.089 -10.384 0.084 743 1HB HIS 95 HB2 HIS 95 6.474 -7.814 1.397 744 2HB HIS 95 HB1 HIS 95 5.622 -9.206 2.056 745 HD1 HIS 95 HD1 HIS 95 6.831 -10.185 3.961 746 HD2 HIS 95 HD2 HIS 95 9.441 -8.601 1.143 747 HE1 HIS 95 HE1 HIS 95 9.137 -10.595 4.876 748 HE2 HIS 95 HE2 HIS 95 10.700 -9.719 3.105 749 H LEU 96 HN LEU 96 4.829 -8.514 -1.601 750 HA LEU 96 HA LEU 96 2.507 -10.026 -0.715 751 1HB LEU 96 HB2 LEU 96 2.915 -7.799 -2.698 752 2HB LEU 96 HB1 LEU 96 1.381 -8.631 -2.527 753 HG LEU 96 HG LEU 96 2.789 -6.913 -0.522 754 1HD1 LEU 96 HD11 LEU 96 1.468 -5.737 -2.184 755 2HD1 LEU 96 HD12 LEU 96 0.687 -5.640 -0.605 756 3HD1 LEU 96 HD13 LEU 96 0.077 -6.758 -1.821 757 1HD2 LEU 96 HD21 LEU 96 0.955 -7.413 1.033 758 2HD2 LEU 96 HD22 LEU 96 1.950 -8.827 0.686 759 3HD2 LEU 96 HD23 LEU 96 0.373 -8.651 -0.083 760 H GLU 97 HN GLU 97 3.885 -9.274 -3.910 761 HA GLU 97 HA GLU 97 2.642 -11.449 -5.203 762 1HB GLU 97 HB2 GLU 97 4.588 -9.370 -5.888 763 2HB GLU 97 HB1 GLU 97 4.854 -10.879 -6.748 764 1HG GLU 97 HG2 GLU 97 2.236 -10.665 -7.134 765 2HG GLU 97 HG1 GLU 97 2.615 -8.956 -6.928 766 H GLU 98 HN GLU 98 5.283 -11.301 -3.074 767 HA GLU 98 HA GLU 98 6.605 -13.660 -4.158 768 1HB GLU 98 HB2 GLU 98 7.895 -11.801 -3.102 769 2HB GLU 98 HB1 GLU 98 7.155 -12.215 -1.561 770 1HG GLU 98 HG2 GLU 98 9.252 -13.229 -1.516 771 2HG GLU 98 HG1 GLU 98 8.132 -14.536 -1.898 772 H LEU 99 HN LEU 99 4.226 -12.857 -1.788 773 HA LEU 99 HA LEU 99 4.435 -15.214 -0.208 774 1HB LEU 99 HB2 LEU 99 3.364 -13.218 0.657 775 2HB LEU 99 HB1 LEU 99 2.158 -13.274 -0.612 776 HG LEU 99 HG LEU 99 1.647 -15.646 0.449 777 1HD1 LEU 99 HD11 LEU 99 1.849 -14.918 3.065 778 2HD1 LEU 99 HD12 LEU 99 3.369 -14.320 2.405 779 3HD1 LEU 99 HD13 LEU 99 2.946 -16.017 2.234 780 1HD2 LEU 99 HD21 LEU 99 -0.123 -14.177 0.355 781 2HD2 LEU 99 HD22 LEU 99 0.736 -12.918 1.242 782 3HD2 LEU 99 HD23 LEU 99 0.109 -14.328 2.097 783 H VAL 100 HN VAL 100 2.041 -14.212 -2.655 784 HA VAL 100 HA VAL 100 0.692 -16.662 -2.802 785 HB VAL 100 HB VAL 100 1.016 -14.651 -5.033 786 1HG1 VAL 100 HG11 VAL 100 -0.227 -17.145 -5.020 787 2HG1 VAL 100 HG12 VAL 100 -0.429 -15.862 -6.212 788 3HG1 VAL 100 HG13 VAL 100 -1.539 -15.980 -4.849 789 1HG2 VAL 100 HG21 VAL 100 -0.584 -14.624 -2.539 790 2HG2 VAL 100 HG22 VAL 100 -1.367 -14.046 -4.010 791 3HG2 VAL 100 HG23 VAL 100 0.123 -13.289 -3.448 792 H HIS 101 HN HIS 101 3.664 -15.590 -4.266 793 HA HIS 101 HA HIS 101 3.763 -17.932 -6.012 794 1HB HIS 101 HB2 HIS 101 4.489 -15.427 -6.558 795 2HB HIS 101 HB1 HIS 101 6.011 -15.985 -5.876 796 HD1 HIS 101 HD1 HIS 101 5.373 -15.247 -8.946 797 HD2 HIS 101 HD2 HIS 101 5.784 -19.043 -7.306 798 HE1 HIS 101 HE1 HIS 101 6.002 -16.744 -10.866 799 HE2 HIS 101 HE2 HIS 101 6.337 -19.017 -9.832 800 H ARG 102 HN ARG 102 3.923 -18.271 -3.146 801 HA ARG 102 HA ARG 102 6.704 -19.196 -2.853 802 1HB ARG 102 HB2 ARG 102 5.521 -17.506 -1.196 803 2HB ARG 102 HB1 ARG 102 4.857 -18.985 -0.517 804 1HG ARG 102 HG2 ARG 102 6.708 -18.965 0.738 805 2HG ARG 102 HG1 ARG 102 7.476 -19.643 -0.699 806 1HD ARG 102 HD2 ARG 102 7.326 -16.749 -0.809 807 2HD ARG 102 HD1 ARG 102 8.190 -17.309 0.622 808 HE ARG 102 HE ARG 102 9.085 -18.676 -1.694 809 1HH1 ARG 102 HH11 ARG 102 9.307 -15.604 -0.054 810 2HH1 ARG 102 HH12 ARG 102 10.862 -15.224 -0.713 811 1HH2 ARG 102 HH21 ARG 102 11.131 -18.179 -2.560 812 2HH2 ARG 102 HH22 ARG 102 11.898 -16.684 -2.136 Start of MODEL 14 1 1H MET 1 HT1 MET 1 0.428 -22.923 4.175 2 2H MET 1 HT2 MET 1 1.703 -21.859 4.608 3 3H MET 1 HT3 MET 1 1.266 -22.051 2.959 4 HA MET 1 HA MET 1 -0.747 -20.979 3.249 5 1HB MET 1 HB2 MET 1 -0.170 -21.599 6.097 6 2HB MET 1 HB1 MET 1 -1.052 -20.112 5.777 7 1HG MET 1 HG2 MET 1 -2.669 -21.477 4.432 8 2HG MET 1 HG1 MET 1 -1.849 -22.913 5.043 9 1HE MET 1 HE1 MET 1 -5.034 -23.216 6.887 10 2HE MET 1 HE2 MET 1 -4.451 -23.075 5.228 11 3HE MET 1 HE3 MET 1 -5.354 -21.749 5.961 12 H TYR 2 HN TYR 2 -0.088 -19.193 2.221 13 HA TYR 2 HA TYR 2 1.864 -17.438 3.537 14 1HB TYR 2 HB2 TYR 2 0.985 -17.611 0.646 15 2HB TYR 2 HB1 TYR 2 2.089 -16.392 1.273 16 HD1 TYR 2 HD1 TYR 2 4.341 -16.781 1.016 17 HD2 TYR 2 HD2 TYR 2 1.714 -20.115 1.303 18 HE1 TYR 2 HE1 TYR 2 6.241 -18.300 0.667 19 HE2 TYR 2 HE2 TYR 2 3.607 -21.645 0.955 20 HH TYR 2 HH TYR 2 6.850 -20.623 1.117 21 H GLY 3 HN GLY 3 -0.114 -16.916 4.930 22 1HA GLY 3 HA2 GLY 3 -1.583 -14.686 3.662 23 2HA GLY 3 HA1 GLY 3 -2.327 -15.764 4.830 24 H LYS 4 HN LYS 4 0.335 -15.722 6.352 25 HA LYS 4 HA LYS 4 -0.390 -13.770 8.230 26 1HB LYS 4 HB2 LYS 4 1.038 -15.770 8.707 27 2HB LYS 4 HB1 LYS 4 2.354 -14.980 7.848 28 1HG LYS 4 HG2 LYS 4 2.783 -14.581 10.108 29 2HG LYS 4 HG1 LYS 4 2.090 -13.074 9.507 30 1HD LYS 4 HD2 LYS 4 0.333 -15.159 10.743 31 2HD LYS 4 HD1 LYS 4 1.258 -14.055 11.763 32 1HE LYS 4 HE2 LYS 4 -0.344 -12.540 11.501 33 2HE LYS 4 HE1 LYS 4 0.052 -12.467 9.786 34 1HZ LYS 4 HZ1 LYS 4 -1.510 -14.731 10.148 35 2HZ LYS 4 HZ2 LYS 4 -1.948 -13.292 9.375 36 3HZ LYS 4 HZ3 LYS 4 -2.266 -13.497 11.024 37 H LEU 5 HN LEU 5 1.312 -13.448 5.278 38 HA LEU 5 HA LEU 5 2.969 -11.288 5.818 39 1HB LEU 5 HB2 LEU 5 2.148 -12.618 3.540 40 2HB LEU 5 HB1 LEU 5 1.506 -11.003 3.303 41 HG LEU 5 HG LEU 5 3.669 -11.114 2.271 42 1HD1 LEU 5 HD11 LEU 5 4.453 -9.675 4.714 43 2HD1 LEU 5 HD12 LEU 5 2.930 -9.180 3.976 44 3HD1 LEU 5 HD13 LEU 5 4.421 -9.134 3.036 45 1HD2 LEU 5 HD21 LEU 5 5.492 -11.422 4.368 46 2HD2 LEU 5 HD22 LEU 5 5.181 -12.548 3.047 47 3HD2 LEU 5 HD23 LEU 5 4.313 -12.718 4.573 48 H ASN 6 HN ASN 6 -0.454 -11.540 5.881 49 HA ASN 6 HA ASN 6 -1.275 -8.965 5.371 50 1HB ASN 6 HB2 ASN 6 -3.191 -9.435 6.850 51 2HB ASN 6 HB1 ASN 6 -2.880 -10.733 5.703 52 1HD2 ASN 6 HD21 ASN 6 -4.334 -10.937 8.138 53 2HD2 ASN 6 HD22 ASN 6 -3.494 -12.055 9.153 54 H ASP 7 HN ASP 7 -0.077 -10.378 8.380 55 HA ASP 7 HA ASP 7 -0.421 -8.197 10.072 56 1HB ASP 7 HB2 ASP 7 0.620 -10.666 10.402 57 2HB ASP 7 HB1 ASP 7 2.111 -9.729 10.350 58 H LEU 8 HN LEU 8 1.867 -8.789 7.539 59 HA LEU 8 HA LEU 8 3.507 -6.495 8.234 60 1HB LEU 8 HB2 LEU 8 4.687 -8.389 7.363 61 2HB LEU 8 HB1 LEU 8 3.609 -8.504 5.989 62 HG LEU 8 HG LEU 8 5.950 -7.559 5.588 63 1HD1 LEU 8 HD11 LEU 8 4.074 -5.541 4.581 64 2HD1 LEU 8 HD12 LEU 8 3.610 -7.215 4.282 65 3HD1 LEU 8 HD13 LEU 8 5.167 -6.617 3.711 66 1HD2 LEU 8 HD21 LEU 8 6.600 -5.619 6.484 67 2HD2 LEU 8 HD22 LEU 8 5.300 -5.874 7.647 68 3HD2 LEU 8 HD23 LEU 8 5.026 -4.866 6.226 69 H LEU 9 HN LEU 9 0.891 -7.382 6.099 70 HA LEU 9 HA LEU 9 1.101 -5.319 4.209 71 1HB LEU 9 HB2 LEU 9 -1.077 -7.080 5.202 72 2HB LEU 9 HB1 LEU 9 -1.557 -5.641 4.325 73 HG LEU 9 HG LEU 9 0.368 -7.685 3.225 74 1HD1 LEU 9 HD11 LEU 9 -2.401 -7.470 2.202 75 2HD1 LEU 9 HD12 LEU 9 -2.169 -8.304 3.737 76 3HD1 LEU 9 HD13 LEU 9 -1.328 -8.867 2.293 77 1HD2 LEU 9 HD21 LEU 9 -0.703 -6.473 1.099 78 2HD2 LEU 9 HD22 LEU 9 0.752 -5.884 1.905 79 3HD2 LEU 9 HD23 LEU 9 -0.813 -5.150 2.261 80 H GLU 10 HN GLU 10 -0.261 -5.443 7.445 81 HA GLU 10 HA GLU 10 -1.715 -3.079 7.499 82 1HB GLU 10 HB2 GLU 10 -0.201 -4.574 9.624 83 2HB GLU 10 HB1 GLU 10 -1.062 -3.087 9.994 84 1HG GLU 10 HG2 GLU 10 -2.520 -5.247 8.570 85 2HG GLU 10 HG1 GLU 10 -2.185 -5.444 10.290 86 H ASP 11 HN ASP 11 1.749 -3.604 7.896 87 HA ASP 11 HA ASP 11 2.556 -1.149 8.866 88 1HB ASP 11 HB2 ASP 11 3.869 -3.061 6.944 89 2HB ASP 11 HB1 ASP 11 4.668 -1.575 7.451 90 H LEU 12 HN LEU 12 2.198 -2.076 5.452 91 HA LEU 12 HA LEU 12 2.825 0.364 4.309 92 1HB LEU 12 HB2 LEU 12 2.483 -0.798 2.443 93 2HB LEU 12 HB1 LEU 12 1.920 -2.129 3.425 94 HG LEU 12 HG LEU 12 -0.179 -0.156 2.833 95 1HD1 LEU 12 HD11 LEU 12 0.447 0.173 0.703 96 2HD1 LEU 12 HD12 LEU 12 -0.272 -1.419 0.472 97 3HD1 LEU 12 HD13 LEU 12 1.473 -1.262 0.666 98 1HD2 LEU 12 HD21 LEU 12 -1.128 -2.048 3.621 99 2HD2 LEU 12 HD22 LEU 12 0.193 -3.069 3.057 100 3HD2 LEU 12 HD23 LEU 12 -1.049 -2.534 1.928 101 H GLN 13 HN GLN 13 -0.433 -0.899 5.032 102 HA GLN 13 HA GLN 13 -1.885 1.351 4.348 103 1HB GLN 13 HB2 GLN 13 -2.919 -0.799 4.933 104 2HB GLN 13 HB1 GLN 13 -2.442 -0.582 6.612 105 1HG GLN 13 HG2 GLN 13 -3.865 1.420 6.732 106 2HG GLN 13 HG1 GLN 13 -4.379 1.130 5.072 107 1HE2 GLN 13 HE21 GLN 13 -4.757 0.269 8.366 108 2HE2 GLN 13 HE22 GLN 13 -6.026 -0.884 8.154 109 H GLU 14 HN GLU 14 -0.110 0.666 7.307 110 HA GLU 14 HA GLU 14 -1.056 3.012 8.681 111 1HB GLU 14 HB2 GLU 14 0.653 0.724 9.278 112 2HB GLU 14 HB1 GLU 14 1.310 2.225 9.917 113 1HG GLU 14 HG2 GLU 14 -0.004 1.311 11.632 114 2HG GLU 14 HG1 GLU 14 -0.953 2.632 10.951 115 H VAL 15 HN VAL 15 1.596 2.157 6.598 116 HA VAL 15 HA VAL 15 3.247 4.369 7.144 117 HB VAL 15 HB VAL 15 3.664 2.182 5.715 118 1HG1 VAL 15 HG11 VAL 15 2.794 2.179 3.674 119 2HG1 VAL 15 HG12 VAL 15 3.893 3.489 3.269 120 3HG1 VAL 15 HG13 VAL 15 2.260 3.849 3.819 121 1HG2 VAL 15 HG21 VAL 15 5.686 3.147 4.943 122 2HG2 VAL 15 HG22 VAL 15 5.281 3.899 6.486 123 3HG2 VAL 15 HG23 VAL 15 4.996 4.775 4.979 124 H LEU 16 HN LEU 16 0.327 3.982 5.340 125 HA LEU 16 HA LEU 16 0.524 6.282 3.713 126 1HB LEU 16 HB2 LEU 16 -1.775 4.625 4.701 127 2HB LEU 16 HB1 LEU 16 -2.066 6.109 3.815 128 HG LEU 16 HG LEU 16 -2.212 4.355 2.234 129 1HD1 LEU 16 HD11 LEU 16 -0.916 6.312 1.488 130 2HD1 LEU 16 HD12 LEU 16 -0.433 4.823 0.674 131 3HD1 LEU 16 HD13 LEU 16 0.566 5.486 1.965 132 1HD2 LEU 16 HD21 LEU 16 -0.828 2.520 2.072 133 2HD2 LEU 16 HD22 LEU 16 -0.886 2.793 3.812 134 3HD2 LEU 16 HD23 LEU 16 0.512 3.328 2.883 135 H LYS 17 HN LYS 17 -0.447 5.711 7.026 136 HA LYS 17 HA LYS 17 -1.850 7.943 7.734 137 1HB LYS 17 HB2 LYS 17 -1.233 6.141 9.303 138 2HB LYS 17 HB1 LYS 17 0.427 6.723 9.309 139 1HG LYS 17 HG2 LYS 17 -1.073 8.959 9.961 140 2HG LYS 17 HG1 LYS 17 -1.863 7.636 10.822 141 1HD LYS 17 HD2 LYS 17 -0.290 7.914 12.386 142 2HD LYS 17 HD1 LYS 17 0.816 7.148 11.244 143 1HE LYS 17 HE2 LYS 17 1.784 9.210 12.039 144 2HE LYS 17 HE1 LYS 17 1.363 9.379 10.334 145 1HZ LYS 17 HZ1 LYS 17 -0.537 10.653 10.891 146 2HZ LYS 17 HZ2 LYS 17 0.751 11.305 11.772 147 3HZ LYS 17 HZ3 LYS 17 -0.383 10.314 12.542 148 H ASN 18 HN ASN 18 1.575 7.668 7.090 149 HA ASN 18 HA ASN 18 2.190 10.389 7.824 150 1HB ASN 18 HB2 ASN 18 3.700 8.157 6.485 151 2HB ASN 18 HB1 ASN 18 4.354 9.793 6.492 152 1HD2 ASN 18 HD21 ASN 18 3.834 10.753 8.903 153 2HD2 ASN 18 HD22 ASN 18 4.559 9.792 10.141 154 H LEU 19 HN LEU 19 1.897 8.571 4.818 155 HA LEU 19 HA LEU 19 2.464 10.389 2.899 156 1HB LEU 19 HB2 LEU 19 1.904 8.502 1.846 157 2HB LEU 19 HB1 LEU 19 0.845 8.007 3.144 158 HG LEU 19 HG LEU 19 -0.212 10.074 1.303 159 1HD1 LEU 19 HD11 LEU 19 0.538 8.800 -0.444 160 2HD1 LEU 19 HD12 LEU 19 -0.980 7.987 -0.098 161 3HD1 LEU 19 HD13 LEU 19 0.538 7.312 0.490 162 1HD2 LEU 19 HD21 LEU 19 -1.158 7.976 3.112 163 2HD2 LEU 19 HD22 LEU 19 -2.059 8.125 1.609 164 3HD2 LEU 19 HD23 LEU 19 -1.890 9.519 2.676 165 H HIS 20 HN HIS 20 -0.700 10.058 4.477 166 HA HIS 20 HA HIS 20 -2.178 11.907 3.115 167 1HB HIS 20 HB2 HIS 20 -2.237 11.540 6.114 168 2HB HIS 20 HB1 HIS 20 -3.552 12.129 5.101 169 HD1 HIS 20 HD1 HIS 20 -2.120 9.119 6.519 170 HD2 HIS 20 HD2 HIS 20 -4.614 10.050 3.353 171 HE1 HIS 20 HE1 HIS 20 -3.251 6.956 5.909 172 HE2 HIS 20 HE2 HIS 20 -4.861 7.579 4.073 173 H LYS 21 HN LYS 21 0.113 12.570 5.728 174 HA LYS 21 HA LYS 21 -0.515 15.395 5.691 175 1HB LYS 21 HB2 LYS 21 1.775 14.202 7.205 176 2HB LYS 21 HB1 LYS 21 0.776 15.590 7.616 177 1HG LYS 21 HG2 LYS 21 -0.261 12.771 7.554 178 2HG LYS 21 HG1 LYS 21 0.406 13.534 8.997 179 1HD LYS 21 HD2 LYS 21 -1.909 13.866 9.186 180 2HD LYS 21 HD1 LYS 21 -1.291 15.405 8.582 181 1HE LYS 21 HE2 LYS 21 -2.229 15.118 6.500 182 2HE LYS 21 HE1 LYS 21 -2.179 13.362 6.607 183 1HZ LYS 21 HZ1 LYS 21 -4.186 13.279 7.559 184 2HZ LYS 21 HZ2 LYS 21 -4.391 14.831 6.920 185 3HZ LYS 21 HZ3 LYS 21 -3.914 14.637 8.532 186 H ASN 22 HN ASN 22 1.174 13.701 3.542 187 HA ASN 22 HA ASN 22 2.794 16.002 2.890 188 1HB ASN 22 HB2 ASN 22 4.040 13.348 3.585 189 2HB ASN 22 HB1 ASN 22 4.877 14.589 2.656 190 1HD2 ASN 22 HD21 ASN 22 4.142 13.448 5.724 191 2HD2 ASN 22 HD22 ASN 22 4.706 14.799 6.641 192 H TRP 23 HN TRP 23 0.592 14.185 1.764 193 HA TRP 23 HA TRP 23 1.871 13.222 -0.656 194 1HB TRP 23 HB2 TRP 23 0.018 11.956 -1.006 195 2HB TRP 23 HB1 TRP 23 -0.225 12.233 0.710 196 HD1 TRP 23 HD1 TRP 23 -2.487 13.216 1.345 197 HE1 TRP 23 HE1 TRP 23 -4.426 14.348 0.128 198 HE3 TRP 23 HE3 TRP 23 -0.383 13.483 -3.237 199 HZ2 TRP 23 HZ2 TRP 23 -4.995 15.212 -2.532 200 HZ3 TRP 23 HZ3 TRP 23 -1.667 14.420 -5.079 201 HH2 TRP 23 HH2 TRP 23 -3.932 15.287 -4.748 202 H HIS 24 HN HIS 24 -0.133 15.859 0.436 203 HA HIS 24 HA HIS 24 0.640 17.588 -1.624 204 1HB HIS 24 HB2 HIS 24 -0.759 16.226 -3.076 205 2HB HIS 24 HB1 HIS 24 -2.115 16.390 -1.970 206 HD1 HIS 24 HD1 HIS 24 -1.247 17.565 -5.089 207 HD2 HIS 24 HD2 HIS 24 -2.464 19.508 -1.626 208 HE1 HIS 24 HE1 HIS 24 -2.131 19.793 -5.845 209 HE2 HIS 24 HE2 HIS 24 -2.948 20.912 -3.742 210 H GLY 25 HN GLY 25 -2.190 16.807 0.401 211 1HA GLY 25 HA2 GLY 25 -1.931 18.697 2.323 212 2HA GLY 25 HA1 GLY 25 -2.642 19.597 0.994 213 H GLY 26 HN GLY 26 -3.457 18.374 3.779 214 1HA GLY 26 HA2 GLY 26 -5.444 17.768 4.743 215 2HA GLY 26 HA1 GLY 26 -6.215 18.299 3.257 216 H LYS 27 HN LYS 27 -5.891 15.747 5.253 217 HA LYS 27 HA LYS 27 -5.483 13.560 3.538 218 1HB LYS 27 HB2 LYS 27 -5.390 13.361 5.976 219 2HB LYS 27 HB1 LYS 27 -7.109 13.717 6.081 220 1HG LYS 27 HG2 LYS 27 -7.723 11.657 5.231 221 2HG LYS 27 HG1 LYS 27 -6.155 11.392 4.466 222 1HD LYS 27 HD2 LYS 27 -5.275 10.485 6.322 223 2HD LYS 27 HD1 LYS 27 -6.020 11.690 7.375 224 1HE LYS 27 HE2 LYS 27 -8.033 10.490 7.506 225 2HE LYS 27 HE1 LYS 27 -7.622 9.485 6.117 226 1HZ LYS 27 HZ1 LYS 27 -6.248 9.411 8.749 227 2HZ LYS 27 HZ2 LYS 27 -5.906 8.419 7.422 228 3HZ LYS 27 HZ3 LYS 27 -7.395 8.288 8.214 229 H ASP 28 HN ASP 28 -8.130 15.709 3.856 230 HA ASP 28 HA ASP 28 -10.343 14.197 3.247 231 1HB ASP 28 HB2 ASP 28 -10.327 16.653 3.719 232 2HB ASP 28 HB1 ASP 28 -9.734 16.921 2.083 233 H ASN 29 HN ASN 29 -7.865 15.428 1.038 234 HA ASN 29 HA ASN 29 -9.189 14.391 -1.298 235 1HB ASN 29 HB2 ASN 29 -7.549 16.389 -1.150 236 2HB ASN 29 HB1 ASN 29 -6.286 15.163 -1.172 237 1HD2 ASN 29 HD21 ASN 29 -6.307 16.974 -3.141 238 2HD2 ASN 29 HD22 ASN 29 -6.826 16.264 -4.629 239 H LEU 30 HN LEU 30 -6.286 13.492 0.561 240 HA LEU 30 HA LEU 30 -5.563 11.237 -0.914 241 1HB LEU 30 HB2 LEU 30 -4.375 12.418 1.070 242 2HB LEU 30 HB1 LEU 30 -5.315 11.343 2.074 243 HG LEU 30 HG LEU 30 -3.007 10.543 1.653 244 1HD1 LEU 30 HD11 LEU 30 -3.815 8.511 2.000 245 2HD1 LEU 30 HD12 LEU 30 -4.362 8.395 0.335 246 3HD1 LEU 30 HD13 LEU 30 -5.407 9.104 1.560 247 1HD2 LEU 30 HD21 LEU 30 -3.835 9.885 -1.146 248 2HD2 LEU 30 HD22 LEU 30 -2.219 9.890 -0.438 249 3HD2 LEU 30 HD23 LEU 30 -3.046 11.413 -0.774 250 H HIS 31 HN HIS 31 -8.069 11.728 1.462 251 HA HIS 31 HA HIS 31 -8.670 9.218 2.339 252 1HB HIS 31 HB2 HIS 31 -9.935 11.656 2.413 253 2HB HIS 31 HB1 HIS 31 -11.062 10.686 1.472 254 HD1 HIS 31 HD1 HIS 31 -10.055 8.076 3.292 255 HD2 HIS 31 HD2 HIS 31 -11.892 11.602 4.499 256 HE1 HIS 31 HE1 HIS 31 -11.150 7.545 5.492 257 HE2 HIS 31 HE2 HIS 31 -12.177 9.717 6.247 258 H ASP 32 HN ASP 32 -9.587 10.636 -0.781 259 HA ASP 32 HA ASP 32 -11.044 8.360 -1.664 260 1HB ASP 32 HB2 ASP 32 -10.236 10.947 -2.757 261 2HB ASP 32 HB1 ASP 32 -10.211 9.661 -3.963 262 H VAL 33 HN VAL 33 -7.720 9.234 -1.627 263 HA VAL 33 HA VAL 33 -6.894 7.259 -3.564 264 HB VAL 33 HB VAL 33 -5.579 9.360 -1.940 265 1HG1 VAL 33 HG11 VAL 33 -3.334 8.459 -2.752 266 2HG1 VAL 33 HG12 VAL 33 -4.163 6.910 -2.935 267 3HG1 VAL 33 HG13 VAL 33 -4.058 7.668 -1.350 268 1HG2 VAL 33 HG21 VAL 33 -6.365 9.695 -4.245 269 2HG2 VAL 33 HG22 VAL 33 -5.218 8.463 -4.776 270 3HG2 VAL 33 HG23 VAL 33 -4.631 9.967 -4.055 271 H ASP 34 HN ASP 34 -6.106 7.767 -0.097 272 HA ASP 34 HA ASP 34 -5.041 5.202 0.261 273 1HB ASP 34 HB2 ASP 34 -4.438 6.615 1.984 274 2HB ASP 34 HB1 ASP 34 -6.053 7.312 2.123 275 H ASN 35 HN ASN 35 -8.313 6.294 0.011 276 HA ASN 35 HA ASN 35 -9.630 4.207 1.373 277 1HB ASN 35 HB2 ASN 35 -10.363 6.216 -0.664 278 2HB ASN 35 HB1 ASN 35 -11.304 4.732 -0.736 279 1HD2 ASN 35 HD21 ASN 35 -9.928 6.160 2.165 280 2HD2 ASN 35 HD22 ASN 35 -11.436 6.527 2.920 281 H HIS 36 HN HIS 36 -8.349 4.555 -1.877 282 HA HIS 36 HA HIS 36 -9.199 2.063 -2.906 283 1HB HIS 36 HB2 HIS 36 -7.132 4.098 -3.629 284 2HB HIS 36 HB1 HIS 36 -6.957 2.485 -4.315 285 HD1 HIS 36 HD1 HIS 36 -10.457 2.971 -4.045 286 HD2 HIS 36 HD2 HIS 36 -7.529 4.370 -6.640 287 HE1 HIS 36 HE1 HIS 36 -11.687 3.720 -6.105 288 HE2 HIS 36 HE2 HIS 36 -9.905 4.662 -7.617 289 H LEU 37 HN LEU 37 -6.195 3.182 -1.396 290 HA LEU 37 HA LEU 37 -4.811 0.748 -1.367 291 1HB LEU 37 HB2 LEU 37 -4.038 3.109 -0.684 292 2HB LEU 37 HB1 LEU 37 -4.692 2.729 0.891 293 HG LEU 37 HG LEU 37 -2.560 2.111 1.279 294 1HD1 LEU 37 HD11 LEU 37 -3.791 0.046 1.537 295 2HD1 LEU 37 HD12 LEU 37 -2.167 -0.284 0.936 296 3HD1 LEU 37 HD13 LEU 37 -3.543 -0.340 -0.166 297 1HD2 LEU 37 HD21 LEU 37 -1.333 0.921 -0.832 298 2HD2 LEU 37 HD22 LEU 37 -1.251 2.643 -0.458 299 3HD2 LEU 37 HD23 LEU 37 -2.418 2.052 -1.643 300 H GLN 38 HN GLN 38 -6.402 2.188 1.474 301 HA GLN 38 HA GLN 38 -6.394 0.028 3.143 302 1HB GLN 38 HB2 GLN 38 -8.156 2.400 2.852 303 2HB GLN 38 HB1 GLN 38 -8.738 1.098 3.880 304 1HG GLN 38 HG2 GLN 38 -6.366 1.264 4.947 305 2HG GLN 38 HG1 GLN 38 -6.372 2.873 4.227 306 1HE2 GLN 38 HE21 GLN 38 -7.543 4.460 5.154 307 2HE2 GLN 38 HE22 GLN 38 -8.491 4.265 6.585 308 H ASN 39 HN ASN 39 -8.830 0.791 0.679 309 HA ASN 39 HA ASN 39 -10.594 -1.317 1.276 310 1HB ASN 39 HB2 ASN 39 -11.138 0.619 -0.200 311 2HB ASN 39 HB1 ASN 39 -10.089 -0.068 -1.436 312 1HD2 ASN 39 HD21 ASN 39 -11.127 -1.126 -2.946 313 2HD2 ASN 39 HD22 ASN 39 -12.609 -1.994 -2.757 314 H VAL 40 HN VAL 40 -7.580 -1.222 -0.453 315 HA VAL 40 HA VAL 40 -7.914 -3.759 -1.748 316 HB VAL 40 HB VAL 40 -5.469 -2.049 -1.278 317 1HG1 VAL 40 HG11 VAL 40 -5.747 -4.761 -2.441 318 2HG1 VAL 40 HG12 VAL 40 -4.411 -4.042 -1.544 319 3HG1 VAL 40 HG13 VAL 40 -4.654 -3.631 -3.241 320 1HG2 VAL 40 HG21 VAL 40 -7.517 -1.579 -2.957 321 2HG2 VAL 40 HG22 VAL 40 -6.498 -2.584 -3.985 322 3HG2 VAL 40 HG23 VAL 40 -5.853 -1.098 -3.287 323 H ILE 41 HN ILE 41 -6.303 -2.591 1.182 324 HA ILE 41 HA ILE 41 -4.898 -4.806 1.979 325 HB ILE 41 HB ILE 41 -6.554 -3.117 3.855 326 1HG1 ILE 41 HG12 ILE 41 -5.288 -1.594 2.508 327 2HG1 ILE 41 HG11 ILE 41 -4.446 -1.745 4.046 328 1HG2 ILE 41 HG21 ILE 41 -5.152 -3.807 5.567 329 2HG2 ILE 41 HG22 ILE 41 -3.884 -4.323 4.456 330 3HG2 ILE 41 HG23 ILE 41 -5.357 -5.278 4.618 331 1HD1 ILE 41 HD11 ILE 41 -2.905 -3.364 2.981 332 2HD1 ILE 41 HD12 ILE 41 -2.846 -1.750 2.273 333 3HD1 ILE 41 HD13 ILE 41 -3.702 -3.047 1.440 334 H GLU 42 HN GLU 42 -8.370 -4.262 2.200 335 HA GLU 42 HA GLU 42 -8.903 -6.597 3.752 336 1HB GLU 42 HB2 GLU 42 -11.189 -6.080 3.494 337 2HB GLU 42 HB1 GLU 42 -10.383 -4.518 3.518 338 1HG GLU 42 HG2 GLU 42 -11.437 -4.025 1.642 339 2HG GLU 42 HG1 GLU 42 -10.456 -5.244 0.832 340 H ASP 43 HN ASP 43 -8.542 -5.921 0.380 341 HA ASP 43 HA ASP 43 -9.627 -8.484 -0.401 342 1HB ASP 43 HB2 ASP 43 -8.398 -6.180 -1.898 343 2HB ASP 43 HB1 ASP 43 -8.650 -7.733 -2.687 344 H ILE 44 HN ILE 44 -6.553 -7.056 0.358 345 HA ILE 44 HA ILE 44 -5.085 -9.286 -0.769 346 HB ILE 44 HB ILE 44 -3.927 -7.129 0.975 347 1HG1 ILE 44 HG12 ILE 44 -4.729 -7.066 -1.906 348 2HG1 ILE 44 HG11 ILE 44 -4.804 -5.790 -0.700 349 1HG2 ILE 44 HG21 ILE 44 -2.460 -8.427 -1.247 350 2HG2 ILE 44 HG22 ILE 44 -2.786 -9.398 0.189 351 3HG2 ILE 44 HG23 ILE 44 -1.883 -7.890 0.330 352 1HD1 ILE 44 HD11 ILE 44 -2.299 -6.794 -2.032 353 2HD1 ILE 44 HD12 ILE 44 -2.396 -5.489 -0.850 354 3HD1 ILE 44 HD13 ILE 44 -3.158 -5.307 -2.429 355 H HIS 45 HN HIS 45 -5.565 -7.898 2.477 356 HA HIS 45 HA HIS 45 -4.240 -9.963 3.843 357 1HB HIS 45 HB2 HIS 45 -4.776 -8.828 5.739 358 2HB HIS 45 HB1 HIS 45 -5.192 -7.561 4.590 359 HD1 HIS 45 HD1 HIS 45 -6.462 -8.580 7.546 360 HD2 HIS 45 HD2 HIS 45 -8.177 -8.448 3.765 361 HE1 HIS 45 HE1 HIS 45 -8.946 -8.519 7.940 362 HE2 HIS 45 HE2 HIS 45 -9.958 -8.326 5.640 363 H ASP 46 HN ASP 46 -7.484 -9.739 2.571 364 HA ASP 46 HA ASP 46 -8.389 -12.061 4.074 365 1HB ASP 46 HB2 ASP 46 -9.895 -10.110 3.498 366 2HB ASP 46 HB1 ASP 46 -9.819 -10.642 1.821 367 H PHE 47 HN PHE 47 -7.433 -11.198 0.813 368 HA PHE 47 HA PHE 47 -8.011 -13.830 -0.216 369 1HB PHE 47 HB2 PHE 47 -6.569 -11.460 -1.390 370 2HB PHE 47 HB1 PHE 47 -6.693 -12.997 -2.231 371 HD1 PHE 47 HD1 PHE 47 -9.314 -11.384 -0.151 372 HD2 PHE 47 HD2 PHE 47 -8.017 -12.424 -4.066 373 HE1 PHE 47 HE1 PHE 47 -11.509 -10.739 -1.045 374 HE2 PHE 47 HE2 PHE 47 -10.210 -11.779 -4.969 375 HZ PHE 47 HZ PHE 47 -11.960 -10.934 -3.457 376 H MET 48 HN MET 48 -5.323 -12.305 1.338 377 HA MET 48 HA MET 48 -3.159 -13.770 0.419 378 1HB MET 48 HB2 MET 48 -3.541 -11.939 2.420 379 2HB MET 48 HB1 MET 48 -3.199 -13.396 3.338 380 1HG MET 48 HG2 MET 48 -1.118 -12.426 3.059 381 2HG MET 48 HG1 MET 48 -1.170 -13.657 1.799 382 1HE MET 48 HE1 MET 48 -0.704 -13.470 -0.265 383 2HE MET 48 HE2 MET 48 -0.230 -12.041 -1.183 384 3HE MET 48 HE3 MET 48 -1.923 -12.532 -1.127 385 H GLN 49 HN GLN 49 -5.655 -14.653 2.721 386 HA GLN 49 HA GLN 49 -4.444 -17.092 3.547 387 1HB GLN 49 HB2 GLN 49 -6.984 -15.679 3.999 388 2HB GLN 49 HB1 GLN 49 -7.114 -17.433 4.054 389 1HG GLN 49 HG2 GLN 49 -5.311 -15.700 5.725 390 2HG GLN 49 HG1 GLN 49 -6.735 -16.588 6.265 391 1HE2 GLN 49 HE21 GLN 49 -3.606 -16.622 6.608 392 2HE2 GLN 49 HE22 GLN 49 -3.267 -18.315 6.635 393 H GLY 50 HN GLY 50 -5.939 -16.175 0.678 394 1HA GLY 50 HA2 GLY 50 -5.744 -17.851 -1.121 395 2HA GLY 50 HA1 GLY 50 -6.462 -19.001 0.001 396 H GLY 51 HN GLY 51 -7.721 -15.774 -0.008 397 1HA GLY 51 HA2 GLY 51 -10.254 -16.788 -1.014 398 2HA GLY 51 HA1 GLY 51 -9.965 -15.196 -0.326 399 H GLY 52 HN GLY 52 -7.914 -16.476 -2.832 400 1HA GLY 52 HA2 GLY 52 -8.385 -16.139 -5.215 401 2HA GLY 52 HA1 GLY 52 -9.173 -14.635 -4.762 402 H SER 53 HN SER 53 -6.204 -15.640 -3.241 403 HA SER 53 HA SER 53 -4.893 -13.253 -4.221 404 1HB SER 53 HB2 SER 53 -4.566 -13.672 -1.906 405 2HB SER 53 HB1 SER 53 -4.123 -15.354 -2.193 406 HG SER 53 HG SER 53 -2.635 -13.075 -3.008 407 H GLY 54 HN GLY 54 -5.402 -15.224 -6.227 408 1HA GLY 54 HA2 GLY 54 -2.692 -16.223 -6.800 409 2HA GLY 54 HA1 GLY 54 -4.170 -16.868 -7.499 410 H GLY 55 HN GLY 55 -5.289 -14.226 -8.079 411 1HA GLY 55 HA2 GLY 55 -3.401 -13.266 -10.128 412 2HA GLY 55 HA1 GLY 55 -5.042 -13.698 -10.581 413 H LYS 56 HN LYS 56 -5.006 -12.366 -7.503 414 HA LYS 56 HA LYS 56 -6.161 -9.890 -8.497 415 1HB LYS 56 HB2 LYS 56 -6.778 -9.506 -6.142 416 2HB LYS 56 HB1 LYS 56 -7.331 -11.072 -6.719 417 1HG LYS 56 HG2 LYS 56 -6.481 -11.711 -4.720 418 2HG LYS 56 HG1 LYS 56 -5.015 -11.850 -5.687 419 1HD LYS 56 HD2 LYS 56 -4.245 -10.647 -3.886 420 2HD LYS 56 HD1 LYS 56 -4.689 -9.345 -4.988 421 1HE LYS 56 HE2 LYS 56 -6.992 -10.052 -3.490 422 2HE LYS 56 HE1 LYS 56 -5.646 -9.853 -2.371 423 1HZ LYS 56 HZ1 LYS 56 -6.828 -7.881 -4.206 424 2HZ LYS 56 HZ2 LYS 56 -5.225 -7.709 -3.697 425 3HZ LYS 56 HZ3 LYS 56 -6.475 -7.728 -2.560 426 H LEU 57 HN LEU 57 -3.444 -10.950 -6.525 427 HA LEU 57 HA LEU 57 -2.530 -8.443 -5.713 428 1HB LEU 57 HB2 LEU 57 -1.757 -10.461 -4.675 429 2HB LEU 57 HB1 LEU 57 -1.044 -11.017 -6.177 430 HG LEU 57 HG LEU 57 0.615 -9.228 -6.080 431 1HD1 LEU 57 HD11 LEU 57 0.768 -7.699 -4.270 432 2HD1 LEU 57 HD12 LEU 57 -0.529 -8.509 -3.391 433 3HD1 LEU 57 HD13 LEU 57 -0.887 -7.619 -4.872 434 1HD2 LEU 57 HD21 LEU 57 0.671 -11.499 -4.707 435 2HD2 LEU 57 HD22 LEU 57 0.741 -10.373 -3.350 436 3HD2 LEU 57 HD23 LEU 57 1.969 -10.309 -4.612 437 H GLN 58 HN GLN 58 -2.563 -9.703 -8.866 438 HA GLN 58 HA GLN 58 -0.197 -8.256 -9.697 439 1HB GLN 58 HB2 GLN 58 -0.720 -9.078 -11.955 440 2HB GLN 58 HB1 GLN 58 -0.672 -10.385 -10.781 441 1HG GLN 58 HG2 GLN 58 -2.565 -10.977 -11.849 442 2HG GLN 58 HG1 GLN 58 -3.273 -9.862 -10.684 443 1HE2 GLN 58 HE21 GLN 58 -4.786 -10.247 -12.753 444 2HE2 GLN 58 HE22 GLN 58 -4.718 -8.947 -13.887 445 H GLU 59 HN GLU 59 -3.694 -8.064 -10.331 446 HA GLU 59 HA GLU 59 -3.357 -5.480 -11.606 447 1HB GLU 59 HB2 GLU 59 -5.413 -7.535 -11.517 448 2HB GLU 59 HB1 GLU 59 -6.089 -5.931 -11.267 449 1HG GLU 59 HG2 GLU 59 -4.171 -6.241 -13.492 450 2HG GLU 59 HG1 GLU 59 -5.747 -7.008 -13.676 451 H MET 60 HN MET 60 -4.445 -6.825 -8.573 452 HA MET 60 HA MET 60 -5.583 -4.377 -7.613 453 1HB MET 60 HB2 MET 60 -6.277 -6.624 -6.784 454 2HB MET 60 HB1 MET 60 -4.702 -6.787 -6.017 455 1HG MET 60 HG2 MET 60 -5.947 -6.040 -4.259 456 2HG MET 60 HG1 MET 60 -5.346 -4.515 -4.899 457 1HE MET 60 HE1 MET 60 -9.602 -6.135 -5.642 458 2HE MET 60 HE2 MET 60 -8.502 -6.848 -4.462 459 3HE MET 60 HE3 MET 60 -8.131 -6.942 -6.183 460 H MET 61 HN MET 61 -2.428 -5.886 -7.570 461 HA MET 61 HA MET 61 -1.219 -4.545 -5.461 462 1HB MET 61 HB2 MET 61 0.214 -6.081 -6.367 463 2HB MET 61 HB1 MET 61 -0.273 -5.727 -8.018 464 1HG MET 61 HG2 MET 61 1.127 -3.817 -8.109 465 2HG MET 61 HG1 MET 61 1.440 -3.887 -6.377 466 1HE MET 61 HE1 MET 61 4.271 -4.027 -8.592 467 2HE MET 61 HE2 MET 61 2.718 -4.020 -9.428 468 3HE MET 61 HE3 MET 61 3.839 -5.362 -9.661 469 H LYS 62 HN LYS 62 -1.822 -3.444 -8.765 470 HA LYS 62 HA LYS 62 -0.408 -1.016 -8.597 471 1HB LYS 62 HB2 LYS 62 -2.004 -2.350 -10.508 472 2HB LYS 62 HB1 LYS 62 -2.716 -0.756 -10.295 473 1HG LYS 62 HG2 LYS 62 -1.192 -0.464 -12.020 474 2HG LYS 62 HG1 LYS 62 -0.334 0.137 -10.600 475 1HD LYS 62 HD2 LYS 62 1.017 -1.776 -10.468 476 2HD LYS 62 HD1 LYS 62 -0.047 -2.705 -11.527 477 1HE LYS 62 HE2 LYS 62 0.691 -1.597 -13.441 478 2HE LYS 62 HE1 LYS 62 1.353 -0.248 -12.518 479 1HZ LYS 62 HZ1 LYS 62 2.933 -2.019 -13.505 480 2HZ LYS 62 HZ2 LYS 62 2.475 -2.946 -12.168 481 3HZ LYS 62 HZ3 LYS 62 3.215 -1.443 -11.939 482 H GLU 63 HN GLU 63 -3.475 -1.999 -7.340 483 HA GLU 63 HA GLU 63 -4.628 0.583 -7.074 484 1HB GLU 63 HB2 GLU 63 -5.783 -1.722 -6.975 485 2HB GLU 63 HB1 GLU 63 -5.285 -1.741 -5.289 486 1HG GLU 63 HG2 GLU 63 -6.679 -0.002 -4.714 487 2HG GLU 63 HG1 GLU 63 -6.765 0.611 -6.365 488 H PHE 64 HN PHE 64 -2.432 -1.302 -5.091 489 HA PHE 64 HA PHE 64 -2.732 0.520 -2.858 490 1HB PHE 64 HB2 PHE 64 -1.440 -0.972 -1.595 491 2HB PHE 64 HB1 PHE 64 -2.338 -2.024 -2.680 492 HD1 PHE 64 HD1 PHE 64 -1.210 -3.723 -3.688 493 HD2 PHE 64 HD2 PHE 64 0.943 -0.227 -2.559 494 HE1 PHE 64 HE1 PHE 64 0.884 -4.779 -4.416 495 HE2 PHE 64 HE2 PHE 64 3.040 -1.280 -3.291 496 HZ PHE 64 HZ PHE 64 3.008 -3.558 -4.221 497 H GLN 65 HN GLN 65 -0.597 -0.060 -5.529 498 HA GLN 65 HA GLN 65 1.470 1.705 -4.552 499 1HB GLN 65 HB2 GLN 65 1.932 -0.283 -6.009 500 2HB GLN 65 HB1 GLN 65 1.128 0.558 -7.327 501 1HG GLN 65 HG2 GLN 65 2.830 2.434 -6.882 502 2HG GLN 65 HG1 GLN 65 3.721 1.206 -5.985 503 1HE2 GLN 65 HE21 GLN 65 5.134 0.064 -7.091 504 2HE2 GLN 65 HE22 GLN 65 5.148 -0.158 -8.805 505 H GLN 66 HN GLN 66 -1.302 1.859 -6.680 506 HA GLN 66 HA GLN 66 -0.717 4.224 -8.054 507 1HB GLN 66 HB2 GLN 66 -2.559 2.760 -8.703 508 2HB GLN 66 HB1 GLN 66 -3.404 3.125 -7.205 509 1HG GLN 66 HG2 GLN 66 -3.289 5.576 -8.020 510 2HG GLN 66 HG1 GLN 66 -2.964 4.858 -9.597 511 1HE2 GLN 66 HE21 GLN 66 -4.568 2.591 -9.395 512 2HE2 GLN 66 HE22 GLN 66 -6.224 3.084 -9.383 513 H VAL 67 HN VAL 67 -2.116 3.677 -4.872 514 HA VAL 67 HA VAL 67 -3.064 6.214 -4.280 515 HB VAL 67 HB VAL 67 -1.925 4.008 -2.595 516 1HG1 VAL 67 HG11 VAL 67 -1.341 5.423 -0.973 517 2HG1 VAL 67 HG12 VAL 67 -3.064 5.720 -0.756 518 3HG1 VAL 67 HG13 VAL 67 -2.106 6.794 -1.771 519 1HG2 VAL 67 HG21 VAL 67 -4.533 4.939 -3.453 520 2HG2 VAL 67 HG22 VAL 67 -4.447 4.698 -1.709 521 3HG2 VAL 67 HG23 VAL 67 -4.046 3.374 -2.802 522 H LEU 68 HN LEU 68 0.211 4.918 -4.006 523 HA LEU 68 HA LEU 68 1.355 7.281 -2.885 524 1HB LEU 68 HB2 LEU 68 2.309 4.685 -3.906 525 2HB LEU 68 HB1 LEU 68 3.459 6.010 -3.998 526 HG LEU 68 HG LEU 68 2.583 6.331 -1.464 527 1HD1 LEU 68 HD11 LEU 68 1.704 3.708 -2.229 528 2HD1 LEU 68 HD12 LEU 68 1.466 4.570 -0.709 529 3HD1 LEU 68 HD13 LEU 68 2.916 3.598 -0.954 530 1HD2 LEU 68 HD21 LEU 68 4.796 6.197 -1.294 531 2HD2 LEU 68 HD22 LEU 68 4.905 5.278 -2.795 532 3HD2 LEU 68 HD23 LEU 68 4.648 4.440 -1.265 533 H ASP 69 HN ASP 69 0.140 6.660 -5.945 534 HA ASP 69 HA ASP 69 2.062 8.088 -7.509 535 1HB ASP 69 HB2 ASP 69 0.120 6.393 -8.210 536 2HB ASP 69 HB1 ASP 69 -0.788 7.893 -8.380 537 H GLU 70 HN GLU 70 -1.229 8.840 -6.358 538 HA GLU 70 HA GLU 70 -1.342 11.536 -7.070 539 1HB GLU 70 HB2 GLU 70 -3.062 9.864 -5.844 540 2HB GLU 70 HB1 GLU 70 -2.456 10.702 -4.418 541 1HG GLU 70 HG2 GLU 70 -4.579 11.583 -5.465 542 2HG GLU 70 HG1 GLU 70 -3.312 12.749 -5.117 543 H LEU 71 HN LEU 71 0.013 9.885 -4.355 544 HA LEU 71 HA LEU 71 0.753 12.161 -2.827 545 1HB LEU 71 HB2 LEU 71 0.317 10.226 -1.644 546 2HB LEU 71 HB1 LEU 71 1.200 9.222 -2.766 547 HG LEU 71 HG LEU 71 3.181 10.812 -1.694 548 1HD1 LEU 71 HD11 LEU 71 2.377 11.680 0.201 549 2HD1 LEU 71 HD12 LEU 71 2.420 10.032 0.829 550 3HD1 LEU 71 HD13 LEU 71 0.932 10.676 0.142 551 1HD2 LEU 71 HD21 LEU 71 3.564 8.538 -2.065 552 2HD2 LEU 71 HD22 LEU 71 2.158 8.058 -1.123 553 3HD2 LEU 71 HD23 LEU 71 3.588 8.686 -0.307 554 H ASN 72 HN ASN 72 2.902 9.649 -4.150 555 HA ASN 72 HA ASN 72 5.264 11.023 -3.932 556 1HB ASN 72 HB2 ASN 72 6.233 9.385 -5.279 557 2HB ASN 72 HB1 ASN 72 4.797 8.575 -4.665 558 1HD2 ASN 72 HD21 ASN 72 6.355 8.041 -7.061 559 2HD2 ASN 72 HD22 ASN 72 5.254 8.163 -8.388 560 H ASN 73 HN ASN 73 2.776 11.463 -6.309 561 HA ASN 73 HA ASN 73 4.498 13.112 -7.979 562 1HB ASN 73 HB2 ASN 73 2.575 11.446 -8.724 563 2HB ASN 73 HB1 ASN 73 1.566 12.867 -8.475 564 1HD2 ASN 73 HD21 ASN 73 3.700 11.269 -10.549 565 2HD2 ASN 73 HD22 ASN 73 3.841 12.500 -11.753 566 H HIS 74 HN HIS 74 3.327 13.748 -5.135 567 HA HIS 74 HA HIS 74 2.879 16.543 -5.755 568 1HB HIS 74 HB2 HIS 74 0.750 14.776 -4.605 569 2HB HIS 74 HB1 HIS 74 0.807 16.487 -4.198 570 HD1 HIS 74 HD1 HIS 74 0.818 18.120 -6.410 571 HD2 HIS 74 HD2 HIS 74 -0.612 14.250 -6.895 572 HE1 HIS 74 HE1 HIS 74 -0.529 18.162 -8.532 573 HE2 HIS 74 HE2 HIS 74 -1.284 15.782 -8.866 574 H LEU 75 HN LEU 75 4.838 14.826 -4.233 575 HA LEU 75 HA LEU 75 4.680 15.095 -1.478 576 1HB LEU 75 HB2 LEU 75 6.812 14.884 -3.465 577 2HB LEU 75 HB1 LEU 75 7.300 15.843 -2.082 578 HG LEU 75 HG LEU 75 7.984 13.659 -1.588 579 1HD1 LEU 75 HD11 LEU 75 6.960 13.248 0.430 580 2HD1 LEU 75 HD12 LEU 75 5.351 13.614 -0.191 581 3HD1 LEU 75 HD13 LEU 75 6.489 14.922 0.134 582 1HD2 LEU 75 HD21 LEU 75 5.239 12.651 -2.295 583 2HD2 LEU 75 HD22 LEU 75 6.652 11.692 -1.855 584 3HD2 LEU 75 HD23 LEU 75 6.634 12.588 -3.373 585 H GLN 76 HN GLN 76 3.627 16.962 -0.818 586 HA GLN 76 HA GLN 76 4.057 19.523 -1.810 587 1HB GLN 76 HB2 GLN 76 2.306 18.454 -0.057 588 2HB GLN 76 HB1 GLN 76 3.359 19.308 1.063 589 1HG GLN 76 HG2 GLN 76 1.426 20.646 0.375 590 2HG GLN 76 HG1 GLN 76 2.958 21.391 -0.076 591 1HE2 GLN 76 HE21 GLN 76 2.915 22.283 -1.998 592 2HE2 GLN 76 HE22 GLN 76 2.017 21.730 -3.366 593 H GLY 77 HN GLY 77 5.236 18.251 1.316 594 1HA GLY 77 HA2 GLY 77 7.802 19.520 0.921 595 2HA GLY 77 HA1 GLY 77 6.816 20.270 2.168 596 H GLY 78 HN GLY 78 6.764 16.839 1.471 597 1HA GLY 78 HA2 GLY 78 8.392 16.321 3.859 598 2HA GLY 78 HA1 GLY 78 6.766 15.665 3.786 599 H LYS 79 HN LYS 79 9.361 15.895 1.356 600 HA LYS 79 HA LYS 79 8.877 13.518 0.075 601 1HB LYS 79 HB2 LYS 79 11.220 13.571 -0.662 602 2HB LYS 79 HB1 LYS 79 10.474 15.161 -0.758 603 1HG LYS 79 HG2 LYS 79 11.819 16.040 0.830 604 2HG LYS 79 HG1 LYS 79 11.912 14.532 1.742 605 1HD LYS 79 HD2 LYS 79 13.299 15.007 -0.893 606 2HD LYS 79 HD1 LYS 79 14.064 15.228 0.682 607 1HE LYS 79 HE2 LYS 79 12.719 12.644 0.304 608 2HE LYS 79 HE1 LYS 79 14.108 12.918 -0.746 609 1HZ LYS 79 HZ1 LYS 79 15.443 13.398 1.214 610 2HZ LYS 79 HZ2 LYS 79 14.766 11.852 1.313 611 3HZ LYS 79 HZ3 LYS 79 14.109 13.121 2.218 612 H HIS 80 HN HIS 80 10.377 14.022 3.166 613 HA HIS 80 HA HIS 80 11.650 11.504 3.409 614 1HB HIS 80 HB2 HIS 80 11.597 12.023 5.876 615 2HB HIS 80 HB1 HIS 80 12.340 13.265 4.874 616 HD1 HIS 80 HD1 HIS 80 9.355 12.601 7.023 617 HD2 HIS 80 HD2 HIS 80 10.963 15.702 4.771 618 HE1 HIS 80 HE1 HIS 80 8.051 14.651 7.673 619 HE2 HIS 80 HE2 HIS 80 9.100 16.530 6.362 620 H THR 81 HN THR 81 8.366 12.565 3.821 621 HA THR 81 HA THR 81 7.463 10.397 5.419 622 HB THR 81 HB THR 81 6.183 12.525 3.759 623 HG1 THR 81 HG1 THR 81 5.866 11.621 6.424 624 1HG2 THR 81 HG21 THR 81 3.968 11.399 4.758 625 2HG2 THR 81 HG22 THR 81 4.884 9.943 4.346 626 3HG2 THR 81 HG23 THR 81 4.532 11.153 3.101 627 H VAL 82 HN VAL 82 6.504 11.061 2.084 628 HA VAL 82 HA VAL 82 5.690 8.523 1.390 629 HB VAL 82 HB VAL 82 7.144 10.372 -0.507 630 1HG1 VAL 82 HG11 VAL 82 5.250 9.327 -2.003 631 2HG1 VAL 82 HG12 VAL 82 5.306 8.043 -0.795 632 3HG1 VAL 82 HG13 VAL 82 6.756 8.456 -1.711 633 1HG2 VAL 82 HG21 VAL 82 4.805 11.233 -0.972 634 2HG2 VAL 82 HG22 VAL 82 5.543 11.748 0.542 635 3HG2 VAL 82 HG23 VAL 82 4.333 10.469 0.543 636 H HIS 83 HN HIS 83 8.985 9.879 1.207 637 HA HIS 83 HA HIS 83 10.289 7.844 -0.106 638 1HB HIS 83 HB2 HIS 83 11.413 9.900 0.639 639 2HB HIS 83 HB1 HIS 83 11.289 9.370 2.314 640 HD1 HIS 83 HD1 HIS 83 12.170 6.682 -0.019 641 HD2 HIS 83 HD2 HIS 83 14.178 9.517 2.260 642 HE1 HIS 83 HE1 HIS 83 14.562 5.909 0.060 643 HE2 HIS 83 HE2 HIS 83 15.776 7.692 1.362 644 H HIS 84 HN HIS 84 9.324 8.014 3.279 645 HA HIS 84 HA HIS 84 10.413 5.441 3.938 646 1HB HIS 84 HB2 HIS 84 8.626 7.391 5.379 647 2HB HIS 84 HB1 HIS 84 8.959 5.793 6.039 648 HD1 HIS 84 HD1 HIS 84 10.058 9.072 6.466 649 HD2 HIS 84 HD2 HIS 84 12.050 5.462 5.953 650 HE1 HIS 84 HE1 HIS 84 12.374 9.448 7.371 651 HE2 HIS 84 HE2 HIS 84 13.544 7.233 7.102 652 H ILE 85 HN ILE 85 7.381 6.671 2.752 653 HA ILE 85 HA ILE 85 5.994 4.199 3.319 654 HB ILE 85 HB ILE 85 4.084 5.321 3.126 655 1HG1 ILE 85 HG12 ILE 85 4.691 7.047 0.801 656 2HG1 ILE 85 HG11 ILE 85 4.561 5.317 0.515 657 1HG2 ILE 85 HG21 ILE 85 5.954 7.614 2.965 658 2HG2 ILE 85 HG22 ILE 85 5.110 6.975 4.366 659 3HG2 ILE 85 HG23 ILE 85 4.214 7.822 3.104 660 1HD1 ILE 85 HD11 ILE 85 2.334 5.279 0.884 661 2HD1 ILE 85 HD12 ILE 85 2.471 6.969 0.410 662 3HD1 ILE 85 HD13 ILE 85 2.405 6.537 2.116 663 H GLU 86 HN GLU 86 7.596 5.691 0.614 664 HA GLU 86 HA GLU 86 6.524 3.863 -1.341 665 1HB GLU 86 HB2 GLU 86 8.480 4.783 -2.742 666 2HB GLU 86 HB1 GLU 86 7.201 5.898 -2.293 667 1HG GLU 86 HG2 GLU 86 8.614 7.219 -1.231 668 2HG GLU 86 HG1 GLU 86 9.296 5.875 -0.322 669 H GLN 87 HN GLN 87 9.613 4.199 0.413 670 HA GLN 87 HA GLN 87 10.835 1.928 -0.720 671 1HB GLN 87 HB2 GLN 87 11.224 3.288 1.951 672 2HB GLN 87 HB1 GLN 87 12.210 1.934 1.418 673 1HG GLN 87 HG2 GLN 87 12.087 4.717 0.328 674 2HG GLN 87 HG1 GLN 87 13.482 3.806 0.897 675 1HE2 GLN 87 HE21 GLN 87 11.082 4.005 -1.669 676 2HE2 GLN 87 HE22 GLN 87 12.066 3.298 -2.900 677 H ASN 88 HN ASN 88 8.439 2.378 1.727 678 HA ASN 88 HA ASN 88 8.588 -0.326 2.730 679 1HB ASN 88 HB2 ASN 88 7.099 2.140 3.398 680 2HB ASN 88 HB1 ASN 88 6.229 0.635 3.685 681 1HD2 ASN 88 HD21 ASN 88 9.395 2.128 4.245 682 2HD2 ASN 88 HD22 ASN 88 9.628 1.447 5.815 683 H ILE 89 HN ILE 89 6.083 1.607 1.054 684 HA ILE 89 HA ILE 89 4.431 -0.585 0.475 685 HB ILE 89 HB ILE 89 4.387 2.225 -0.108 686 1HG1 ILE 89 HG12 ILE 89 1.965 0.758 -0.694 687 2HG1 ILE 89 HG11 ILE 89 2.726 0.180 0.787 688 1HG2 ILE 89 HG21 ILE 89 3.623 0.449 -2.423 689 2HG2 ILE 89 HG22 ILE 89 4.868 1.699 -2.417 690 3HG2 ILE 89 HG23 ILE 89 3.168 2.144 -2.260 691 1HD1 ILE 89 HD11 ILE 89 1.223 2.595 0.321 692 2HD1 ILE 89 HD12 ILE 89 2.820 2.963 0.976 693 3HD1 ILE 89 HD13 ILE 89 1.741 1.868 1.841 694 H LYS 90 HN LYS 90 6.869 1.046 -1.552 695 HA LYS 90 HA LYS 90 6.434 -0.595 -3.777 696 1HB LYS 90 HB2 LYS 90 8.931 0.884 -2.922 697 2HB LYS 90 HB1 LYS 90 8.764 0.070 -4.468 698 1HG LYS 90 HG2 LYS 90 6.677 2.040 -3.743 699 2HG LYS 90 HG1 LYS 90 8.277 2.657 -4.159 700 1HD LYS 90 HD2 LYS 90 6.613 0.804 -5.864 701 2HD LYS 90 HD1 LYS 90 6.795 2.540 -6.117 702 1HE LYS 90 HE2 LYS 90 8.442 1.896 -7.515 703 2HE LYS 90 HE1 LYS 90 9.383 1.798 -6.027 704 1HZ LYS 90 HZ1 LYS 90 7.915 -0.602 -6.550 705 2HZ LYS 90 HZ2 LYS 90 9.564 -0.396 -6.230 706 3HZ LYS 90 HZ3 LYS 90 8.982 -0.224 -7.808 707 H GLU 91 HN GLU 91 8.165 -1.059 -0.824 708 HA GLU 91 HA GLU 91 9.445 -3.499 -1.766 709 1HB GLU 91 HB2 GLU 91 10.700 -1.982 -0.279 710 2HB GLU 91 HB1 GLU 91 9.478 -2.201 0.966 711 1HG GLU 91 HG2 GLU 91 10.312 -4.169 1.616 712 2HG GLU 91 HG1 GLU 91 10.621 -4.697 -0.038 713 H ILE 92 HN ILE 92 6.440 -2.659 -0.777 714 HA ILE 92 HA ILE 92 5.860 -4.830 0.994 715 HB ILE 92 HB ILE 92 4.510 -2.452 0.110 716 1HG1 ILE 92 HG12 ILE 92 3.319 -2.722 2.197 717 2HG1 ILE 92 HG11 ILE 92 3.800 -4.413 2.293 718 1HG2 ILE 92 HG21 ILE 92 3.194 -3.928 -1.323 719 2HG2 ILE 92 HG22 ILE 92 2.222 -3.269 -0.008 720 3HG2 ILE 92 HG23 ILE 92 2.804 -4.932 0.074 721 1HD1 ILE 92 HD11 ILE 92 5.326 -1.965 2.904 722 2HD1 ILE 92 HD12 ILE 92 6.218 -3.293 2.162 723 3HD1 ILE 92 HD13 ILE 92 5.354 -3.548 3.679 724 H PHE 93 HN PHE 93 5.306 -3.999 -2.389 725 HA PHE 93 HA PHE 93 3.811 -6.212 -3.167 726 1HB PHE 93 HB2 PHE 93 4.117 -5.433 -5.287 727 2HB PHE 93 HB1 PHE 93 4.782 -4.032 -4.448 728 HD1 PHE 93 HD1 PHE 93 5.351 -6.012 -7.141 729 HD2 PHE 93 HD2 PHE 93 7.359 -4.609 -3.667 730 HE1 PHE 93 HE1 PHE 93 7.515 -6.385 -8.247 731 HE2 PHE 93 HE2 PHE 93 9.521 -4.982 -4.757 732 HZ PHE 93 HZ PHE 93 9.611 -5.863 -7.060 733 H HIS 94 HN HIS 94 7.185 -5.902 -2.393 734 HA HIS 94 HA HIS 94 8.191 -8.176 -3.704 735 1HB HIS 94 HB2 HIS 94 9.434 -6.232 -2.474 736 2HB HIS 94 HB1 HIS 94 9.267 -7.262 -1.055 737 HD1 HIS 94 HD1 HIS 94 11.893 -6.443 -2.904 738 HD2 HIS 94 HD2 HIS 94 10.027 -10.131 -2.478 739 HE1 HIS 94 HE1 HIS 94 13.632 -8.152 -3.521 740 HE2 HIS 94 HE2 HIS 94 12.454 -10.371 -3.341 741 H HIS 95 HN HIS 95 7.341 -7.756 -0.282 742 HA HIS 95 HA HIS 95 7.414 -10.530 0.294 743 1HB HIS 95 HB2 HIS 95 5.992 -8.311 1.781 744 2HB HIS 95 HB1 HIS 95 6.366 -9.908 2.419 745 HD1 HIS 95 HD1 HIS 95 7.458 -7.763 4.077 746 HD2 HIS 95 HD2 HIS 95 9.501 -9.132 0.728 747 HE1 HIS 95 HE1 HIS 95 9.859 -7.112 4.442 748 HE2 HIS 95 HE2 HIS 95 11.060 -7.871 2.361 749 H LEU 96 HN LEU 96 5.216 -8.638 -1.438 750 HA LEU 96 HA LEU 96 2.896 -10.260 -0.744 751 1HB LEU 96 HB2 LEU 96 3.310 -7.890 -2.542 752 2HB LEU 96 HB1 LEU 96 1.796 -8.783 -2.509 753 HG LEU 96 HG LEU 96 3.074 -7.308 -0.229 754 1HD1 LEU 96 HD11 LEU 96 1.047 -5.914 -0.354 755 2HD1 LEU 96 HD12 LEU 96 0.524 -6.827 -1.770 756 3HD1 LEU 96 HD13 LEU 96 1.990 -5.847 -1.842 757 1HD2 LEU 96 HD21 LEU 96 1.098 -7.898 1.076 758 2HD2 LEU 96 HD22 LEU 96 2.000 -9.336 0.585 759 3HD2 LEU 96 HD23 LEU 96 0.516 -8.895 -0.262 760 H GLU 97 HN GLU 97 4.646 -9.410 -3.712 761 HA GLU 97 HA GLU 97 3.434 -11.411 -5.291 762 1HB GLU 97 HB2 GLU 97 5.854 -9.669 -5.578 763 2HB GLU 97 HB1 GLU 97 5.610 -10.997 -6.704 764 1HG GLU 97 HG2 GLU 97 3.172 -9.835 -6.768 765 2HG GLU 97 HG1 GLU 97 4.199 -8.435 -6.461 766 H GLU 98 HN GLU 98 5.683 -11.638 -2.775 767 HA GLU 98 HA GLU 98 7.097 -13.927 -3.858 768 1HB GLU 98 HB2 GLU 98 8.429 -13.885 -1.960 769 2HB GLU 98 HB1 GLU 98 7.999 -12.194 -2.147 770 1HG GLU 98 HG2 GLU 98 6.328 -12.389 -0.419 771 2HG GLU 98 HG1 GLU 98 6.631 -14.118 -0.279 772 H LEU 99 HN LEU 99 4.300 -13.319 -1.901 773 HA LEU 99 HA LEU 99 4.056 -15.906 -0.749 774 1HB LEU 99 HB2 LEU 99 1.823 -13.978 -1.357 775 2HB LEU 99 HB1 LEU 99 1.836 -15.236 -0.138 776 HG LEU 99 HG LEU 99 3.948 -13.195 0.110 777 1HD1 LEU 99 HD11 LEU 99 2.630 -11.419 0.747 778 2HD1 LEU 99 HD12 LEU 99 1.230 -12.435 1.077 779 3HD1 LEU 99 HD13 LEU 99 1.685 -12.075 -0.588 780 1HD2 LEU 99 HD21 LEU 99 3.526 -15.086 1.697 781 2HD2 LEU 99 HD22 LEU 99 2.005 -14.302 2.127 782 3HD2 LEU 99 HD23 LEU 99 3.535 -13.487 2.437 783 H VAL 100 HN VAL 100 2.098 -14.359 -3.278 784 HA VAL 100 HA VAL 100 0.845 -16.702 -4.155 785 HB VAL 100 HB VAL 100 1.428 -14.276 -5.849 786 1HG1 VAL 100 HG11 VAL 100 -0.891 -16.198 -5.933 787 2HG1 VAL 100 HG12 VAL 100 0.520 -16.290 -6.987 788 3HG1 VAL 100 HG13 VAL 100 -0.547 -14.888 -7.063 789 1HG2 VAL 100 HG21 VAL 100 0.466 -13.328 -3.964 790 2HG2 VAL 100 HG22 VAL 100 -0.557 -14.732 -3.655 791 3HG2 VAL 100 HG23 VAL 100 -0.933 -13.639 -4.990 792 H HIS 101 HN HIS 101 3.973 -15.385 -4.857 793 HA HIS 101 HA HIS 101 4.397 -17.084 -7.163 794 1HB HIS 101 HB2 HIS 101 5.398 -14.835 -7.095 795 2HB HIS 101 HB1 HIS 101 6.328 -15.293 -5.672 796 HD1 HIS 101 HD1 HIS 101 8.376 -16.823 -6.037 797 HD2 HIS 101 HD2 HIS 101 6.355 -15.839 -9.531 798 HE1 HIS 101 HE1 HIS 101 9.903 -17.509 -7.913 799 HE2 HIS 101 HE2 HIS 101 8.618 -16.990 -10.018 800 H ARG 102 HN ARG 102 5.271 -16.985 -3.750 801 HA ARG 102 HA ARG 102 6.792 -19.478 -4.086 802 1HB ARG 102 HB2 ARG 102 7.631 -17.352 -2.788 803 2HB ARG 102 HB1 ARG 102 6.639 -18.002 -1.489 804 1HG ARG 102 HG2 ARG 102 7.903 -20.139 -1.684 805 2HG ARG 102 HG1 ARG 102 8.968 -19.341 -2.844 806 1HD ARG 102 HD2 ARG 102 8.776 -17.648 -0.591 807 2HD ARG 102 HD1 ARG 102 9.047 -19.282 0.013 808 HE ARG 102 HE ARG 102 10.802 -18.531 -2.139 809 1HH1 ARG 102 HH11 ARG 102 10.314 -18.461 1.317 810 2HH1 ARG 102 HH12 ARG 102 12.000 -18.309 1.677 811 1HH2 ARG 102 HH21 ARG 102 13.020 -18.330 -1.666 812 2HH2 ARG 102 HH22 ARG 102 13.537 -18.233 -0.015 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -3.260 -19.909 4.616 2 2H MET 1 HT2 MET 1 -3.527 -21.605 4.607 3 3H MET 1 HT3 MET 1 -2.893 -20.827 3.214 4 HA MET 1 HA MET 1 -1.611 -21.337 5.799 5 1HB MET 1 HB2 MET 1 -1.495 -22.343 3.058 6 2HB MET 1 HB1 MET 1 0.088 -21.900 3.681 7 1HG MET 1 HG2 MET 1 -1.605 -23.497 5.485 8 2HG MET 1 HG1 MET 1 -1.043 -24.309 4.024 9 1HE MET 1 HE1 MET 1 1.141 -25.372 7.207 10 2HE MET 1 HE2 MET 1 0.592 -26.137 5.717 11 3HE MET 1 HE3 MET 1 -0.562 -25.297 6.752 12 H TYR 2 HN TYR 2 -1.596 -19.322 2.908 13 HA TYR 2 HA TYR 2 0.692 -17.814 3.954 14 1HB TYR 2 HB2 TYR 2 -0.634 -17.711 1.235 15 2HB TYR 2 HB1 TYR 2 0.785 -16.786 1.710 16 HD1 TYR 2 HD1 TYR 2 -0.328 -20.363 1.774 17 HD2 TYR 2 HD2 TYR 2 2.803 -17.598 0.956 18 HE1 TYR 2 HE1 TYR 2 1.115 -22.218 1.057 19 HE2 TYR 2 HE2 TYR 2 4.254 -19.447 0.237 20 HH TYR 2 HH TYR 2 4.052 -21.731 -0.598 21 H GLY 3 HN GLY 3 -0.699 -16.896 5.648 22 1HA GLY 3 HA2 GLY 3 -2.199 -14.582 4.603 23 2HA GLY 3 HA1 GLY 3 -2.833 -15.550 5.923 24 H LYS 4 HN LYS 4 0.471 -15.423 6.252 25 HA LYS 4 HA LYS 4 0.237 -13.498 8.403 26 1HB LYS 4 HB2 LYS 4 1.543 -15.654 8.611 27 2HB LYS 4 HB1 LYS 4 2.715 -14.967 7.494 28 1HG LYS 4 HG2 LYS 4 3.730 -14.384 9.422 29 2HG LYS 4 HG1 LYS 4 2.653 -12.992 9.279 30 1HD LYS 4 HD2 LYS 4 2.088 -15.493 10.873 31 2HD LYS 4 HD1 LYS 4 2.624 -13.949 11.541 32 1HE LYS 4 HE2 LYS 4 0.567 -12.928 10.484 33 2HE LYS 4 HE1 LYS 4 0.018 -14.574 10.171 34 1HZ LYS 4 HZ1 LYS 4 -0.927 -14.306 12.181 35 2HZ LYS 4 HZ2 LYS 4 0.162 -13.114 12.679 36 3HZ LYS 4 HZ3 LYS 4 0.604 -14.745 12.753 37 H LEU 5 HN LEU 5 1.171 -13.494 5.129 38 HA LEU 5 HA LEU 5 3.119 -11.512 5.090 39 1HB LEU 5 HB2 LEU 5 1.694 -12.874 3.178 40 2HB LEU 5 HB1 LEU 5 1.070 -11.245 2.999 41 HG LEU 5 HG LEU 5 2.899 -11.540 1.470 42 1HD1 LEU 5 HD11 LEU 5 3.876 -9.911 3.808 43 2HD1 LEU 5 HD12 LEU 5 2.649 -9.369 2.662 44 3HD1 LEU 5 HD13 LEU 5 4.289 -9.694 2.106 45 1HD2 LEU 5 HD21 LEU 5 5.041 -11.838 3.413 46 2HD2 LEU 5 HD22 LEU 5 4.749 -12.714 1.911 47 3HD2 LEU 5 HD23 LEU 5 3.948 -13.221 3.397 48 H ASN 6 HN ASN 6 -0.189 -11.401 6.000 49 HA ASN 6 HA ASN 6 -0.779 -8.726 5.504 50 1HB ASN 6 HB2 ASN 6 -2.489 -8.960 7.270 51 2HB ASN 6 HB1 ASN 6 -2.531 -10.270 6.094 52 1HD2 ASN 6 HD21 ASN 6 -3.718 -10.556 8.533 53 2HD2 ASN 6 HD22 ASN 6 -2.837 -11.697 9.485 54 H ASP 7 HN ASP 7 0.746 -10.295 8.276 55 HA ASP 7 HA ASP 7 0.892 -8.193 10.053 56 1HB ASP 7 HB2 ASP 7 1.734 -10.572 10.387 57 2HB ASP 7 HB1 ASP 7 3.195 -10.082 9.536 58 H LEU 8 HN LEU 8 2.609 -8.708 7.084 59 HA LEU 8 HA LEU 8 4.493 -6.556 7.526 60 1HB LEU 8 HB2 LEU 8 4.794 -8.750 6.129 61 2HB LEU 8 HB1 LEU 8 3.973 -7.847 4.872 62 HG LEU 8 HG LEU 8 6.252 -7.585 4.409 63 1HD1 LEU 8 HD11 LEU 8 6.626 -5.272 4.534 64 2HD1 LEU 8 HD12 LEU 8 5.695 -5.118 6.024 65 3HD1 LEU 8 HD13 LEU 8 4.873 -5.462 4.502 66 1HD2 LEU 8 HD21 LEU 8 6.945 -6.614 7.141 67 2HD2 LEU 8 HD22 LEU 8 7.967 -7.376 5.922 68 3HD2 LEU 8 HD23 LEU 8 6.820 -8.348 6.845 69 H LEU 9 HN LEU 9 1.472 -7.149 5.822 70 HA LEU 9 HA LEU 9 1.466 -4.812 4.247 71 1HB LEU 9 HB2 LEU 9 -0.592 -6.754 5.174 72 2HB LEU 9 HB1 LEU 9 -1.150 -5.218 4.535 73 HG LEU 9 HG LEU 9 0.780 -6.896 2.969 74 1HD1 LEU 9 HD11 LEU 9 -1.444 -8.082 3.769 75 2HD1 LEU 9 HD12 LEU 9 -0.822 -8.280 2.132 76 3HD1 LEU 9 HD13 LEU 9 -2.131 -7.141 2.445 77 1HD2 LEU 9 HD21 LEU 9 -0.337 -5.759 1.083 78 2HD2 LEU 9 HD22 LEU 9 0.428 -4.634 2.203 79 3HD2 LEU 9 HD23 LEU 9 -1.320 -4.860 2.238 80 H GLU 10 HN GLU 10 0.669 -5.427 7.584 81 HA GLU 10 HA GLU 10 -0.934 -3.274 8.228 82 1HB GLU 10 HB2 GLU 10 0.324 -5.271 9.632 83 2HB GLU 10 HB1 GLU 10 1.131 -3.830 10.235 84 1HG GLU 10 HG2 GLU 10 -0.564 -3.686 11.664 85 2HG GLU 10 HG1 GLU 10 -1.499 -3.090 10.293 86 H ASP 11 HN ASP 11 2.628 -3.390 8.240 87 HA ASP 11 HA ASP 11 3.123 -0.800 9.101 88 1HB ASP 11 HB2 ASP 11 4.624 -2.815 7.525 89 2HB ASP 11 HB1 ASP 11 5.197 -1.154 7.420 90 H LEU 12 HN LEU 12 2.633 -1.981 5.800 91 HA LEU 12 HA LEU 12 3.080 0.357 4.407 92 1HB LEU 12 HB2 LEU 12 2.705 -1.085 2.757 93 2HB LEU 12 HB1 LEU 12 1.989 -2.227 3.871 94 HG LEU 12 HG LEU 12 0.129 -0.104 3.057 95 1HD1 LEU 12 HD11 LEU 12 1.727 -1.428 1.026 96 2HD1 LEU 12 HD12 LEU 12 0.633 -0.049 0.899 97 3HD1 LEU 12 HD13 LEU 12 -0.005 -1.689 0.824 98 1HD2 LEU 12 HD21 LEU 12 -1.043 -2.394 2.366 99 2HD2 LEU 12 HD22 LEU 12 -0.991 -1.823 4.032 100 3HD2 LEU 12 HD23 LEU 12 0.165 -3.034 3.479 101 H GLN 13 HN GLN 13 -0.077 -0.938 5.385 102 HA GLN 13 HA GLN 13 -1.628 1.230 4.672 103 1HB GLN 13 HB2 GLN 13 -2.437 -1.025 5.443 104 2HB GLN 13 HB1 GLN 13 -2.128 -0.507 7.095 105 1HG GLN 13 HG2 GLN 13 -3.672 1.476 6.520 106 2HG GLN 13 HG1 GLN 13 -4.189 0.473 5.167 107 1HE2 GLN 13 HE21 GLN 13 -3.420 -0.134 8.581 108 2HE2 GLN 13 HE22 GLN 13 -4.892 -0.962 8.942 109 H GLU 14 HN GLU 14 0.222 0.740 7.642 110 HA GLU 14 HA GLU 14 -0.821 3.108 8.906 111 1HB GLU 14 HB2 GLU 14 0.319 0.911 9.923 112 2HB GLU 14 HB1 GLU 14 1.759 1.911 9.787 113 1HG GLU 14 HG2 GLU 14 1.232 2.830 11.725 114 2HG GLU 14 HG1 GLU 14 -0.177 3.553 10.949 115 H VAL 15 HN VAL 15 1.863 2.269 6.874 116 HA VAL 15 HA VAL 15 3.420 4.579 7.333 117 HB VAL 15 HB VAL 15 4.001 2.340 6.117 118 1HG1 VAL 15 HG11 VAL 15 4.106 3.467 3.550 119 2HG1 VAL 15 HG12 VAL 15 2.440 3.609 4.095 120 3HG1 VAL 15 HG13 VAL 15 3.226 2.042 4.073 121 1HG2 VAL 15 HG21 VAL 15 5.104 5.002 5.249 122 2HG2 VAL 15 HG22 VAL 15 5.916 3.432 5.111 123 3HG2 VAL 15 HG23 VAL 15 5.553 4.099 6.701 124 H LEU 16 HN LEU 16 0.589 3.940 5.447 125 HA LEU 16 HA LEU 16 0.710 6.117 3.666 126 1HB LEU 16 HB2 LEU 16 -1.542 4.541 4.853 127 2HB LEU 16 HB1 LEU 16 -1.869 5.946 3.864 128 HG LEU 16 HG LEU 16 -2.093 4.122 2.415 129 1HD1 LEU 16 HD11 LEU 16 -0.843 4.925 0.771 130 2HD1 LEU 16 HD12 LEU 16 0.649 4.440 1.574 131 3HD1 LEU 16 HD13 LEU 16 -0.103 5.986 1.967 132 1HD2 LEU 16 HD21 LEU 16 -0.990 2.163 2.534 133 2HD2 LEU 16 HD22 LEU 16 -0.650 2.723 4.171 134 3HD2 LEU 16 HD23 LEU 16 0.555 2.930 2.903 135 H LYS 17 HN LYS 17 -0.469 5.768 6.978 136 HA LYS 17 HA LYS 17 -1.838 8.035 7.495 137 1HB LYS 17 HB2 LYS 17 -0.968 6.214 9.125 138 2HB LYS 17 HB1 LYS 17 0.417 7.276 9.334 139 1HG LYS 17 HG2 LYS 17 -1.620 9.021 9.700 140 2HG LYS 17 HG1 LYS 17 -2.331 7.534 10.329 141 1HD LYS 17 HD2 LYS 17 -1.252 8.654 12.144 142 2HD LYS 17 HD1 LYS 17 -0.279 7.241 11.730 143 1HE LYS 17 HE2 LYS 17 1.314 8.588 10.572 144 2HE LYS 17 HE1 LYS 17 0.281 10.011 10.689 145 1HZ LYS 17 HZ1 LYS 17 1.380 8.620 13.065 146 2HZ LYS 17 HZ2 LYS 17 0.649 10.145 13.002 147 3HZ LYS 17 HZ3 LYS 17 2.172 9.909 12.306 148 H ASN 18 HN ASN 18 1.631 7.761 7.059 149 HA ASN 18 HA ASN 18 2.279 10.471 7.640 150 1HB ASN 18 HB2 ASN 18 3.635 8.140 6.411 151 2HB ASN 18 HB1 ASN 18 4.211 9.709 5.858 152 1HD2 ASN 18 HD21 ASN 18 5.846 7.998 7.234 153 2HD2 ASN 18 HD22 ASN 18 6.193 8.655 8.793 154 H LEU 19 HN LEU 19 1.925 8.697 4.616 155 HA LEU 19 HA LEU 19 2.234 10.544 2.699 156 1HB LEU 19 HB2 LEU 19 1.708 8.631 1.670 157 2HB LEU 19 HB1 LEU 19 0.743 8.080 3.014 158 HG LEU 19 HG LEU 19 -0.488 10.115 1.238 159 1HD1 LEU 19 HD11 LEU 19 -1.203 8.340 -0.331 160 2HD1 LEU 19 HD12 LEU 19 -0.055 7.242 0.435 161 3HD1 LEU 19 HD13 LEU 19 0.525 8.675 -0.409 162 1HD2 LEU 19 HD21 LEU 19 -2.008 9.496 2.782 163 2HD2 LEU 19 HD22 LEU 19 -1.284 7.908 3.026 164 3HD2 LEU 19 HD23 LEU 19 -2.304 8.205 1.620 165 H HIS 20 HN HIS 20 -0.798 10.106 4.517 166 HA HIS 20 HA HIS 20 -2.405 11.922 3.221 167 1HB HIS 20 HB2 HIS 20 -2.261 11.276 6.165 168 2HB HIS 20 HB1 HIS 20 -3.541 12.244 5.449 169 HD1 HIS 20 HD1 HIS 20 -5.537 11.001 4.706 170 HD2 HIS 20 HD2 HIS 20 -2.222 8.529 5.068 171 HE1 HIS 20 HE1 HIS 20 -6.402 8.664 4.367 172 HE2 HIS 20 HE2 HIS 20 -4.388 7.180 4.664 173 H LYS 21 HN LYS 21 0.070 12.624 5.631 174 HA LYS 21 HA LYS 21 -0.665 15.441 5.612 175 1HB LYS 21 HB2 LYS 21 1.624 14.269 7.150 176 2HB LYS 21 HB1 LYS 21 0.648 15.685 7.528 177 1HG LYS 21 HG2 LYS 21 -0.403 12.870 7.528 178 2HG LYS 21 HG1 LYS 21 0.206 13.701 8.962 179 1HD LYS 21 HD2 LYS 21 -2.063 14.124 9.120 180 2HD LYS 21 HD1 LYS 21 -1.494 15.561 8.271 181 1HE LYS 21 HE2 LYS 21 -2.418 14.896 6.251 182 2HE LYS 21 HE1 LYS 21 -2.386 13.193 6.694 183 1HZ LYS 21 HZ1 LYS 21 -4.364 13.323 7.723 184 2HZ LYS 21 HZ2 LYS 21 -4.591 14.661 6.714 185 3HZ LYS 21 HZ3 LYS 21 -4.096 14.885 8.315 186 H ASN 22 HN ASN 22 1.043 13.755 3.481 187 HA ASN 22 HA ASN 22 2.647 16.073 2.835 188 1HB ASN 22 HB2 ASN 22 3.941 13.401 3.366 189 2HB ASN 22 HB1 ASN 22 4.750 14.781 2.632 190 1HD2 ASN 22 HD21 ASN 22 4.653 16.819 3.932 191 2HD2 ASN 22 HD22 ASN 22 4.856 16.675 5.641 192 H TRP 23 HN TRP 23 0.516 13.962 1.742 193 HA TRP 23 HA TRP 23 1.800 13.134 -0.685 194 1HB TRP 23 HB2 TRP 23 -0.071 11.912 -1.112 195 2HB TRP 23 HB1 TRP 23 -0.349 12.166 0.600 196 HD1 TRP 23 HD1 TRP 23 -2.664 13.028 1.167 197 HE1 TRP 23 HE1 TRP 23 -4.551 14.242 -0.057 198 HE3 TRP 23 HE3 TRP 23 -0.341 13.648 -3.284 199 HZ2 TRP 23 HZ2 TRP 23 -4.997 15.301 -2.675 200 HZ3 TRP 23 HZ3 TRP 23 -1.537 14.731 -5.107 201 HH2 TRP 23 HH2 TRP 23 -3.827 15.552 -4.823 202 H HIS 24 HN HIS 24 -0.172 15.813 0.371 203 HA HIS 24 HA HIS 24 0.761 17.559 -1.593 204 1HB HIS 24 HB2 HIS 24 -0.533 16.296 -3.188 205 2HB HIS 24 HB1 HIS 24 -1.968 16.396 -2.174 206 HD1 HIS 24 HD1 HIS 24 0.374 18.810 -3.964 207 HD2 HIS 24 HD2 HIS 24 -3.628 18.396 -2.922 208 HE1 HIS 24 HE1 HIS 24 -0.795 20.790 -4.983 209 HE2 HIS 24 HE2 HIS 24 -3.229 20.469 -4.418 210 H GLY 25 HN GLY 25 -2.207 16.799 0.218 211 1HA GLY 25 HA2 GLY 25 -2.024 19.489 1.421 212 2HA GLY 25 HA1 GLY 25 -3.562 18.857 0.849 213 H GLY 26 HN GLY 26 -4.612 17.241 2.013 214 1HA GLY 26 HA2 GLY 26 -3.388 16.484 4.577 215 2HA GLY 26 HA1 GLY 26 -5.005 17.178 4.548 216 H LYS 27 HN LYS 27 -6.131 15.439 5.276 217 HA LYS 27 HA LYS 27 -5.799 12.879 3.921 218 1HB LYS 27 HB2 LYS 27 -5.908 12.586 6.243 219 2HB LYS 27 HB1 LYS 27 -7.227 13.736 6.420 220 1HG LYS 27 HG2 LYS 27 -8.754 12.173 5.351 221 2HG LYS 27 HG1 LYS 27 -7.435 11.027 5.116 222 1HD LYS 27 HD2 LYS 27 -7.406 11.706 7.846 223 2HD LYS 27 HD1 LYS 27 -9.099 11.440 7.423 224 1HE LYS 27 HE2 LYS 27 -6.801 9.536 6.996 225 2HE LYS 27 HE1 LYS 27 -8.116 9.363 8.158 226 1HZ LYS 27 HZ1 LYS 27 -8.811 8.032 6.438 227 2HZ LYS 27 HZ2 LYS 27 -8.166 9.032 5.236 228 3HZ LYS 27 HZ3 LYS 27 -9.582 9.485 6.042 229 H ASP 28 HN ASP 28 -7.842 15.625 3.855 230 HA ASP 28 HA ASP 28 -10.298 14.567 3.125 231 1HB ASP 28 HB2 ASP 28 -8.996 17.095 2.089 232 2HB ASP 28 HB1 ASP 28 -10.713 16.717 1.993 233 H ASN 29 HN ASN 29 -7.693 15.636 0.935 234 HA ASN 29 HA ASN 29 -8.982 14.411 -1.330 235 1HB ASN 29 HB2 ASN 29 -6.270 15.718 -1.037 236 2HB ASN 29 HB1 ASN 29 -6.946 15.149 -2.561 237 1HD2 ASN 29 HD21 ASN 29 -6.463 17.806 -0.762 238 2HD2 ASN 29 HD22 ASN 29 -7.756 18.800 -1.331 239 H LEU 30 HN LEU 30 -6.813 13.389 1.104 240 HA LEU 30 HA LEU 30 -5.542 11.322 -0.459 241 1HB LEU 30 HB2 LEU 30 -4.572 12.536 1.580 242 2HB LEU 30 HB1 LEU 30 -5.625 11.525 2.545 243 HG LEU 30 HG LEU 30 -3.387 10.626 2.531 244 1HD1 LEU 30 HD11 LEU 30 -4.603 8.638 0.785 245 2HD1 LEU 30 HD12 LEU 30 -5.624 9.191 2.110 246 3HD1 LEU 30 HD13 LEU 30 -4.036 8.510 2.444 247 1HD2 LEU 30 HD21 LEU 30 -2.154 11.056 0.719 248 2HD2 LEU 30 HD22 LEU 30 -3.558 11.127 -0.344 249 3HD2 LEU 30 HD23 LEU 30 -2.852 9.567 0.087 250 H HIS 31 HN HIS 31 -8.292 11.664 1.674 251 HA HIS 31 HA HIS 31 -8.830 9.049 2.361 252 1HB HIS 31 HB2 HIS 31 -10.151 11.458 2.598 253 2HB HIS 31 HB1 HIS 31 -11.234 10.524 1.571 254 HD1 HIS 31 HD1 HIS 31 -10.611 7.743 2.978 255 HD2 HIS 31 HD2 HIS 31 -11.695 11.275 4.880 256 HE1 HIS 31 HE1 HIS 31 -11.608 7.043 5.178 257 HE2 HIS 31 HE2 HIS 31 -12.342 9.191 6.270 258 H ASP 32 HN ASP 32 -9.453 10.692 -0.691 259 HA ASP 32 HA ASP 32 -10.953 8.520 -1.807 260 1HB ASP 32 HB2 ASP 32 -9.944 11.144 -2.766 261 2HB ASP 32 HB1 ASP 32 -10.275 9.919 -3.986 262 H VAL 33 HN VAL 33 -7.599 9.345 -1.601 263 HA VAL 33 HA VAL 33 -6.861 7.474 -3.704 264 HB VAL 33 HB VAL 33 -5.749 9.760 -3.193 265 1HG1 VAL 33 HG11 VAL 33 -3.700 9.529 -1.807 266 2HG1 VAL 33 HG12 VAL 33 -4.334 7.996 -1.213 267 3HG1 VAL 33 HG13 VAL 33 -5.205 9.495 -0.893 268 1HG2 VAL 33 HG21 VAL 33 -4.570 8.933 -4.872 269 2HG2 VAL 33 HG22 VAL 33 -4.714 7.284 -4.261 270 3HG2 VAL 33 HG23 VAL 33 -3.434 8.341 -3.660 271 H ASP 34 HN ASP 34 -6.535 7.801 -0.181 272 HA ASP 34 HA ASP 34 -5.135 5.324 0.112 273 1HB ASP 34 HB2 ASP 34 -4.682 6.697 1.906 274 2HB ASP 34 HB1 ASP 34 -6.327 7.322 1.986 275 H ASN 35 HN ASN 35 -8.500 6.313 0.101 276 HA ASN 35 HA ASN 35 -9.698 4.114 1.298 277 1HB ASN 35 HB2 ASN 35 -11.058 5.986 0.627 278 2HB ASN 35 HB1 ASN 35 -10.616 5.772 -1.065 279 1HD2 ASN 35 HD21 ASN 35 -11.954 3.812 1.579 280 2HD2 ASN 35 HD22 ASN 35 -13.215 3.100 0.637 281 H HIS 36 HN HIS 36 -8.126 4.456 -1.768 282 HA HIS 36 HA HIS 36 -9.048 2.012 -2.923 283 1HB HIS 36 HB2 HIS 36 -7.153 4.170 -3.604 284 2HB HIS 36 HB1 HIS 36 -6.666 2.578 -4.183 285 HD1 HIS 36 HD1 HIS 36 -7.171 2.801 -6.628 286 HD2 HIS 36 HD2 HIS 36 -10.370 3.943 -4.234 287 HE1 HIS 36 HE1 HIS 36 -9.094 3.173 -8.206 288 HE2 HIS 36 HE2 HIS 36 -11.038 3.792 -6.728 289 H LEU 37 HN LEU 37 -6.336 3.049 -0.983 290 HA LEU 37 HA LEU 37 -4.806 0.666 -1.145 291 1HB LEU 37 HB2 LEU 37 -4.123 3.031 -0.368 292 2HB LEU 37 HB1 LEU 37 -4.794 2.569 1.179 293 HG LEU 37 HG LEU 37 -2.690 1.953 1.625 294 1HD1 LEU 37 HD11 LEU 37 -3.473 -0.382 -0.109 295 2HD1 LEU 37 HD12 LEU 37 -3.806 -0.188 1.612 296 3HD1 LEU 37 HD13 LEU 37 -2.144 -0.376 1.052 297 1HD2 LEU 37 HD21 LEU 37 -1.369 2.772 -0.006 298 2HD2 LEU 37 HD22 LEU 37 -2.389 2.135 -1.297 299 3HD2 LEU 37 HD23 LEU 37 -1.247 1.074 -0.471 300 H GLN 38 HN GLN 38 -6.558 1.989 1.655 301 HA GLN 38 HA GLN 38 -6.552 -0.184 3.294 302 1HB GLN 38 HB2 GLN 38 -7.463 2.000 3.935 303 2HB GLN 38 HB1 GLN 38 -8.855 1.732 2.895 304 1HG GLN 38 HG2 GLN 38 -9.495 -0.195 4.273 305 2HG GLN 38 HG1 GLN 38 -8.121 0.122 5.330 306 1HE2 GLN 38 HE21 GLN 38 -10.306 0.061 6.660 307 2HE2 GLN 38 HE22 GLN 38 -10.938 1.626 7.030 308 H ASN 39 HN ASN 39 -8.668 0.354 0.520 309 HA ASN 39 HA ASN 39 -10.431 -1.805 1.030 310 1HB ASN 39 HB2 ASN 39 -10.755 0.143 -0.603 311 2HB ASN 39 HB1 ASN 39 -9.729 -0.759 -1.713 312 1HD2 ASN 39 HD21 ASN 39 -10.427 -3.034 -2.121 313 2HD2 ASN 39 HD22 ASN 39 -12.123 -3.322 -2.285 314 H VAL 40 HN VAL 40 -7.298 -1.560 -0.466 315 HA VAL 40 HA VAL 40 -7.254 -4.047 -1.793 316 HB VAL 40 HB VAL 40 -4.892 -2.586 -0.600 317 1HG1 VAL 40 HG11 VAL 40 -5.175 -4.971 -2.215 318 2HG1 VAL 40 HG12 VAL 40 -3.758 -4.330 -1.386 319 3HG1 VAL 40 HG13 VAL 40 -4.164 -3.762 -3.004 320 1HG2 VAL 40 HG21 VAL 40 -5.458 -0.915 -1.968 321 2HG2 VAL 40 HG22 VAL 40 -6.650 -1.895 -2.820 322 3HG2 VAL 40 HG23 VAL 40 -4.948 -1.978 -3.277 323 H ILE 41 HN ILE 41 -5.920 -3.080 1.366 324 HA ILE 41 HA ILE 41 -4.801 -5.328 2.308 325 HB ILE 41 HB ILE 41 -6.722 -3.687 3.958 326 1HG1 ILE 41 HG12 ILE 41 -5.165 -2.195 2.867 327 2HG1 ILE 41 HG11 ILE 41 -4.700 -2.358 4.556 328 1HG2 ILE 41 HG21 ILE 41 -5.686 -5.931 4.799 329 2HG2 ILE 41 HG22 ILE 41 -5.719 -4.517 5.851 330 3HG2 ILE 41 HG23 ILE 41 -4.235 -4.950 5.003 331 1HD1 ILE 41 HD11 ILE 41 -2.663 -2.893 3.901 332 2HD1 ILE 41 HD12 ILE 41 -3.164 -2.857 2.211 333 3HD1 ILE 41 HD13 ILE 41 -3.306 -4.348 3.142 334 H GLU 42 HN GLU 42 -8.311 -4.775 2.187 335 HA GLU 42 HA GLU 42 -8.955 -7.263 3.445 336 1HB GLU 42 HB2 GLU 42 -10.743 -5.632 1.638 337 2HB GLU 42 HB1 GLU 42 -11.236 -6.776 2.878 338 1HG GLU 42 HG2 GLU 42 -9.719 -4.255 3.481 339 2HG GLU 42 HG1 GLU 42 -11.479 -4.343 3.455 340 H ASP 43 HN ASP 43 -8.659 -6.164 0.115 341 HA ASP 43 HA ASP 43 -9.566 -8.614 -1.022 342 1HB ASP 43 HB2 ASP 43 -8.368 -6.093 -2.024 343 2HB ASP 43 HB1 ASP 43 -8.127 -7.520 -3.029 344 H ILE 44 HN ILE 44 -6.503 -7.413 0.116 345 HA ILE 44 HA ILE 44 -5.009 -9.569 -1.134 346 HB ILE 44 HB ILE 44 -3.934 -7.703 0.959 347 1HG1 ILE 44 HG12 ILE 44 -5.070 -6.416 -0.881 348 2HG1 ILE 44 HG11 ILE 44 -3.351 -6.093 -0.711 349 1HG2 ILE 44 HG21 ILE 44 -2.807 -9.571 -1.034 350 2HG2 ILE 44 HG22 ILE 44 -2.257 -9.177 0.596 351 3HG2 ILE 44 HG23 ILE 44 -1.920 -8.073 -0.740 352 1HD1 ILE 44 HD11 ILE 44 -4.751 -7.676 -2.834 353 2HD1 ILE 44 HD12 ILE 44 -3.010 -7.781 -2.573 354 3HD1 ILE 44 HD13 ILE 44 -3.745 -6.239 -3.011 355 H HIS 45 HN HIS 45 -6.110 -8.608 2.088 356 HA HIS 45 HA HIS 45 -4.850 -10.790 3.427 357 1HB HIS 45 HB2 HIS 45 -7.032 -8.898 4.305 358 2HB HIS 45 HB1 HIS 45 -6.284 -10.097 5.358 359 HD1 HIS 45 HD1 HIS 45 -5.297 -8.261 6.894 360 HD2 HIS 45 HD2 HIS 45 -4.020 -8.077 2.947 361 HE1 HIS 45 HE1 HIS 45 -3.347 -6.672 6.898 362 HE2 HIS 45 HE2 HIS 45 -2.720 -6.433 4.468 363 H ASP 46 HN ASP 46 -8.094 -10.198 2.162 364 HA ASP 46 HA ASP 46 -9.152 -12.639 3.231 365 1HB ASP 46 HB2 ASP 46 -10.194 -10.821 1.044 366 2HB ASP 46 HB1 ASP 46 -11.086 -12.169 1.739 367 H PHE 47 HN PHE 47 -7.419 -11.677 0.398 368 HA PHE 47 HA PHE 47 -8.063 -14.134 -1.029 369 1HB PHE 47 HB2 PHE 47 -6.434 -11.707 -1.721 370 2HB PHE 47 HB1 PHE 47 -6.384 -13.156 -2.713 371 HD1 PHE 47 HD1 PHE 47 -7.388 -12.425 -4.684 372 HD2 PHE 47 HD2 PHE 47 -9.343 -11.738 -0.970 373 HE1 PHE 47 HE1 PHE 47 -9.404 -11.693 -5.886 374 HE2 PHE 47 HE2 PHE 47 -11.363 -11.006 -2.164 375 HZ PHE 47 HZ PHE 47 -11.396 -10.982 -4.626 376 H MET 48 HN MET 48 -5.175 -12.627 0.420 377 HA MET 48 HA MET 48 -3.231 -14.428 -0.253 378 1HB MET 48 HB2 MET 48 -2.020 -13.766 1.691 379 2HB MET 48 HB1 MET 48 -2.906 -12.366 1.110 380 1HG MET 48 HG2 MET 48 -4.608 -12.747 2.832 381 2HG MET 48 HG1 MET 48 -3.684 -14.125 3.424 382 1HE MET 48 HE1 MET 48 -0.715 -12.046 2.620 383 2HE MET 48 HE2 MET 48 -0.935 -13.599 3.425 384 3HE MET 48 HE3 MET 48 -0.305 -12.222 4.324 385 H GLN 49 HN GLN 49 -5.805 -14.872 2.075 386 HA GLN 49 HA GLN 49 -4.754 -17.181 3.328 387 1HB GLN 49 HB2 GLN 49 -7.115 -15.588 3.510 388 2HB GLN 49 HB1 GLN 49 -7.599 -17.273 3.373 389 1HG GLN 49 HG2 GLN 49 -5.547 -16.329 5.350 390 2HG GLN 49 HG1 GLN 49 -7.272 -16.376 5.707 391 1HE2 GLN 49 HE21 GLN 49 -7.619 -18.031 7.007 392 2HE2 GLN 49 HE22 GLN 49 -7.011 -19.633 6.796 393 H GLY 50 HN GLY 50 -6.446 -16.671 0.338 394 1HA GLY 50 HA2 GLY 50 -5.830 -18.804 -1.070 395 2HA GLY 50 HA1 GLY 50 -6.978 -19.534 0.040 396 H GLY 51 HN GLY 51 -8.327 -16.684 -0.119 397 1HA GLY 51 HA2 GLY 51 -10.483 -17.357 -1.686 398 2HA GLY 51 HA1 GLY 51 -10.005 -15.701 -1.344 399 H GLY 52 HN GLY 52 -7.564 -15.621 -2.712 400 1HA GLY 52 HA2 GLY 52 -7.471 -16.600 -5.285 401 2HA GLY 52 HA1 GLY 52 -8.505 -15.184 -5.376 402 H SER 53 HN SER 53 -5.692 -15.646 -3.293 403 HA SER 53 HA SER 53 -4.605 -13.128 -3.813 404 1HB SER 53 HB2 SER 53 -2.834 -13.763 -2.440 405 2HB SER 53 HB1 SER 53 -4.115 -14.854 -1.910 406 HG SER 53 HG SER 53 -1.813 -15.393 -3.401 407 H GLY 54 HN GLY 54 -4.380 -16.095 -5.582 408 1HA GLY 54 HA2 GLY 54 -2.068 -15.205 -7.113 409 2HA GLY 54 HA1 GLY 54 -2.915 -16.733 -7.298 410 H GLY 55 HN GLY 55 -3.752 -13.271 -7.565 411 1HA GLY 55 HA2 GLY 55 -4.125 -13.183 -10.303 412 2HA GLY 55 HA1 GLY 55 -5.652 -13.741 -9.635 413 H LYS 56 HN LYS 56 -5.234 -12.109 -7.160 414 HA LYS 56 HA LYS 56 -6.292 -9.644 -8.269 415 1HB LYS 56 HB2 LYS 56 -7.502 -9.508 -6.392 416 2HB LYS 56 HB1 LYS 56 -6.934 -11.128 -6.035 417 1HG LYS 56 HG2 LYS 56 -5.381 -8.724 -5.138 418 2HG LYS 56 HG1 LYS 56 -6.760 -9.322 -4.220 419 1HD LYS 56 HD2 LYS 56 -5.633 -11.093 -3.448 420 2HD LYS 56 HD1 LYS 56 -4.864 -11.404 -5.006 421 1HE LYS 56 HE2 LYS 56 -3.408 -9.369 -4.471 422 2HE LYS 56 HE1 LYS 56 -4.013 -9.532 -2.824 423 1HZ LYS 56 HZ1 LYS 56 -1.841 -10.686 -3.388 424 2HZ LYS 56 HZ2 LYS 56 -2.776 -11.809 -4.239 425 3HZ LYS 56 HZ3 LYS 56 -3.010 -11.603 -2.577 426 H LEU 57 HN LEU 57 -3.410 -10.781 -6.664 427 HA LEU 57 HA LEU 57 -2.387 -8.302 -5.842 428 1HB LEU 57 HB2 LEU 57 -1.553 -10.711 -5.362 429 2HB LEU 57 HB1 LEU 57 -0.607 -10.495 -6.820 430 HG LEU 57 HG LEU 57 0.446 -8.492 -5.800 431 1HD1 LEU 57 HD11 LEU 57 -1.658 -8.563 -4.046 432 2HD1 LEU 57 HD12 LEU 57 -0.183 -7.619 -3.845 433 3HD1 LEU 57 HD13 LEU 57 -0.329 -9.200 -3.079 434 1HD2 LEU 57 HD21 LEU 57 1.248 -10.960 -5.606 435 2HD2 LEU 57 HD22 LEU 57 0.828 -10.766 -3.904 436 3HD2 LEU 57 HD23 LEU 57 2.027 -9.705 -4.644 437 H GLN 58 HN GLN 58 -2.945 -9.403 -8.993 438 HA GLN 58 HA GLN 58 -0.745 -7.924 -10.150 439 1HB GLN 58 HB2 GLN 58 -1.387 -8.803 -12.235 440 2HB GLN 58 HB1 GLN 58 -1.719 -10.099 -11.096 441 1HG GLN 58 HG2 GLN 58 -4.097 -9.393 -11.071 442 2HG GLN 58 HG1 GLN 58 -3.719 -8.220 -12.330 443 1HE2 GLN 58 HE21 GLN 58 -4.274 -8.881 -14.266 444 2HE2 GLN 58 HE22 GLN 58 -4.242 -10.509 -14.844 445 H GLU 59 HN GLU 59 -4.293 -7.689 -10.117 446 HA GLU 59 HA GLU 59 -4.157 -5.029 -11.287 447 1HB GLU 59 HB2 GLU 59 -6.290 -7.015 -10.742 448 2HB GLU 59 HB1 GLU 59 -6.768 -5.325 -10.665 449 1HG GLU 59 HG2 GLU 59 -5.435 -6.661 -13.011 450 2HG GLU 59 HG1 GLU 59 -7.155 -6.298 -12.872 451 H MET 60 HN MET 60 -4.750 -6.578 -8.221 452 HA MET 60 HA MET 60 -5.656 -4.222 -6.882 453 1HB MET 60 HB2 MET 60 -5.968 -6.768 -6.281 454 2HB MET 60 HB1 MET 60 -4.456 -6.534 -5.414 455 1HG MET 60 HG2 MET 60 -5.958 -6.092 -3.764 456 2HG MET 60 HG1 MET 60 -5.712 -4.468 -4.411 457 1HE MET 60 HE1 MET 60 -7.149 -3.053 -4.842 458 2HE MET 60 HE2 MET 60 -8.899 -3.189 -4.679 459 3HE MET 60 HE3 MET 60 -8.145 -3.355 -6.264 460 H MET 61 HN MET 61 -2.535 -5.650 -7.567 461 HA MET 61 HA MET 61 -1.030 -4.433 -5.540 462 1HB MET 61 HB2 MET 61 0.184 -5.998 -6.733 463 2HB MET 61 HB1 MET 61 -0.397 -5.427 -8.290 464 1HG MET 61 HG2 MET 61 1.245 -3.893 -8.489 465 2HG MET 61 HG1 MET 61 1.289 -3.554 -6.760 466 1HE MET 61 HE1 MET 61 1.678 -6.204 -9.313 467 2HE MET 61 HE2 MET 61 2.081 -7.500 -8.187 468 3HE MET 61 HE3 MET 61 3.345 -6.759 -9.168 469 H LYS 62 HN LYS 62 -1.873 -3.265 -8.792 470 HA LYS 62 HA LYS 62 -0.528 -0.800 -8.610 471 1HB LYS 62 HB2 LYS 62 -1.891 -2.104 -10.576 472 2HB LYS 62 HB1 LYS 62 -3.031 -0.827 -10.173 473 1HG LYS 62 HG2 LYS 62 -1.372 0.861 -10.628 474 2HG LYS 62 HG1 LYS 62 -0.144 -0.377 -10.900 475 1HD LYS 62 HD2 LYS 62 -1.964 -1.210 -12.663 476 2HD LYS 62 HD1 LYS 62 -2.380 0.504 -12.638 477 1HE LYS 62 HE2 LYS 62 -0.781 0.634 -14.225 478 2HE LYS 62 HE1 LYS 62 0.298 0.677 -12.829 479 1HZ LYS 62 HZ1 LYS 62 0.676 -1.007 -14.776 480 2HZ LYS 62 HZ2 LYS 62 -0.457 -1.933 -13.928 481 3HZ LYS 62 HZ3 LYS 62 0.980 -1.457 -13.174 482 H GLU 63 HN GLU 63 -3.510 -1.922 -7.278 483 HA GLU 63 HA GLU 63 -4.769 0.578 -6.875 484 1HB GLU 63 HB2 GLU 63 -5.860 -1.699 -6.790 485 2HB GLU 63 HB1 GLU 63 -5.141 -1.900 -5.198 486 1HG GLU 63 HG2 GLU 63 -7.125 -1.083 -4.530 487 2HG GLU 63 HG1 GLU 63 -6.332 0.461 -4.832 488 H PHE 64 HN PHE 64 -2.389 -1.235 -5.043 489 HA PHE 64 HA PHE 64 -2.611 0.547 -2.763 490 1HB PHE 64 HB2 PHE 64 -1.194 -0.934 -1.614 491 2HB PHE 64 HB1 PHE 64 -2.117 -1.996 -2.670 492 HD1 PHE 64 HD1 PHE 64 -1.003 -3.597 -3.825 493 HD2 PHE 64 HD2 PHE 64 1.104 -0.085 -2.676 494 HE1 PHE 64 HE1 PHE 64 1.074 -4.553 -4.729 495 HE2 PHE 64 HE2 PHE 64 3.185 -1.034 -3.582 496 HZ PHE 64 HZ PHE 64 3.170 -3.269 -4.611 497 H GLN 65 HN GLN 65 -0.533 0.006 -5.509 498 HA GLN 65 HA GLN 65 1.497 1.842 -4.611 499 1HB GLN 65 HB2 GLN 65 1.803 -0.197 -6.159 500 2HB GLN 65 HB1 GLN 65 1.182 0.845 -7.430 501 1HG GLN 65 HG2 GLN 65 3.003 2.340 -7.220 502 2HG GLN 65 HG1 GLN 65 3.540 1.579 -5.723 503 1HE2 GLN 65 HE21 GLN 65 3.705 -0.978 -6.165 504 2HE2 GLN 65 HE22 GLN 65 4.742 -1.361 -7.492 505 H GLN 66 HN GLN 66 -1.319 1.938 -6.699 506 HA GLN 66 HA GLN 66 -0.791 4.334 -8.047 507 1HB GLN 66 HB2 GLN 66 -2.598 2.845 -8.722 508 2HB GLN 66 HB1 GLN 66 -3.448 3.154 -7.213 509 1HG GLN 66 HG2 GLN 66 -4.510 4.821 -8.197 510 2HG GLN 66 HG1 GLN 66 -2.973 5.664 -8.375 511 1HE2 GLN 66 HE21 GLN 66 -1.751 3.938 -10.204 512 2HE2 GLN 66 HE22 GLN 66 -2.579 4.065 -11.716 513 H VAL 67 HN VAL 67 -2.032 3.707 -4.833 514 HA VAL 67 HA VAL 67 -3.066 6.236 -4.218 515 HB VAL 67 HB VAL 67 -1.706 4.235 -2.395 516 1HG1 VAL 67 HG11 VAL 67 -3.661 5.803 -1.046 517 2HG1 VAL 67 HG12 VAL 67 -2.530 6.894 -1.845 518 3HG1 VAL 67 HG13 VAL 67 -1.933 5.675 -0.720 519 1HG2 VAL 67 HG21 VAL 67 -3.509 3.015 -2.902 520 2HG2 VAL 67 HG22 VAL 67 -4.347 4.386 -3.629 521 3HG2 VAL 67 HG23 VAL 67 -4.393 4.151 -1.883 522 H LEU 68 HN LEU 68 0.220 4.951 -3.901 523 HA LEU 68 HA LEU 68 1.295 7.370 -2.809 524 1HB LEU 68 HB2 LEU 68 2.416 4.796 -3.806 525 2HB LEU 68 HB1 LEU 68 3.490 6.169 -3.598 526 HG LEU 68 HG LEU 68 2.131 6.172 -1.221 527 1HD1 LEU 68 HD11 LEU 68 1.250 4.195 -0.737 528 2HD1 LEU 68 HD12 LEU 68 2.802 3.414 -1.035 529 3HD1 LEU 68 HD13 LEU 68 1.656 3.624 -2.355 530 1HD2 LEU 68 HD21 LEU 68 4.759 5.074 -2.119 531 2HD2 LEU 68 HD22 LEU 68 4.252 4.854 -0.443 532 3HD2 LEU 68 HD23 LEU 68 4.408 6.479 -1.110 533 H ASP 69 HN ASP 69 0.200 6.611 -5.866 534 HA ASP 69 HA ASP 69 2.169 7.972 -7.433 535 1HB ASP 69 HB2 ASP 69 0.142 6.274 -8.061 536 2HB ASP 69 HB1 ASP 69 -0.607 7.818 -8.456 537 H GLU 70 HN GLU 70 -1.136 8.773 -6.357 538 HA GLU 70 HA GLU 70 -1.172 11.455 -7.201 539 1HB GLU 70 HB2 GLU 70 -3.039 9.901 -6.132 540 2HB GLU 70 HB1 GLU 70 -2.482 10.625 -4.626 541 1HG GLU 70 HG2 GLU 70 -4.452 11.734 -5.656 542 2HG GLU 70 HG1 GLU 70 -3.082 12.796 -5.343 543 H LEU 71 HN LEU 71 0.143 9.825 -4.474 544 HA LEU 71 HA LEU 71 0.735 12.100 -2.870 545 1HB LEU 71 HB2 LEU 71 0.324 10.097 -1.757 546 2HB LEU 71 HB1 LEU 71 1.337 9.180 -2.845 547 HG LEU 71 HG LEU 71 3.148 10.866 -1.641 548 1HD1 LEU 71 HD11 LEU 71 2.297 10.028 0.825 549 2HD1 LEU 71 HD12 LEU 71 0.803 10.574 0.061 550 3HD1 LEU 71 HD13 LEU 71 2.177 11.669 0.202 551 1HD2 LEU 71 HD21 LEU 71 2.285 8.071 -0.904 552 2HD2 LEU 71 HD22 LEU 71 3.781 8.830 -0.369 553 3HD2 LEU 71 HD23 LEU 71 3.511 8.524 -2.085 554 H ASN 72 HN ASN 72 3.032 9.686 -4.130 555 HA ASN 72 HA ASN 72 5.314 11.205 -3.837 556 1HB ASN 72 HB2 ASN 72 4.846 8.693 -4.688 557 2HB ASN 72 HB1 ASN 72 5.230 9.452 -6.229 558 1HD2 ASN 72 HD21 ASN 72 7.138 11.264 -5.515 559 2HD2 ASN 72 HD22 ASN 72 8.536 10.443 -4.923 560 H ASN 73 HN ASN 73 2.888 11.439 -6.296 561 HA ASN 73 HA ASN 73 4.562 13.049 -8.029 562 1HB ASN 73 HB2 ASN 73 2.676 11.407 -8.746 563 2HB ASN 73 HB1 ASN 73 1.591 12.737 -8.349 564 1HD2 ASN 73 HD21 ASN 73 0.980 13.732 -10.118 565 2HD2 ASN 73 HD22 ASN 73 1.982 14.125 -11.470 566 H HIS 74 HN HIS 74 3.316 13.751 -5.153 567 HA HIS 74 HA HIS 74 2.954 16.555 -5.870 568 1HB HIS 74 HB2 HIS 74 0.863 14.873 -4.519 569 2HB HIS 74 HB1 HIS 74 0.933 16.618 -4.291 570 HD1 HIS 74 HD1 HIS 74 -0.255 17.989 -5.992 571 HD2 HIS 74 HD2 HIS 74 0.517 14.138 -7.346 572 HE1 HIS 74 HE1 HIS 74 -1.419 17.812 -8.214 573 HE2 HIS 74 HE2 HIS 74 -0.854 15.508 -9.059 574 H LEU 75 HN LEU 75 5.022 15.013 -4.415 575 HA LEU 75 HA LEU 75 4.936 15.296 -1.656 576 1HB LEU 75 HB2 LEU 75 7.037 15.193 -3.704 577 2HB LEU 75 HB1 LEU 75 7.506 16.128 -2.299 578 HG LEU 75 HG LEU 75 8.287 14.020 -1.800 579 1HD1 LEU 75 HD11 LEU 75 5.547 13.821 -0.598 580 2HD1 LEU 75 HD12 LEU 75 6.742 14.997 -0.051 581 3HD1 LEU 75 HD13 LEU 75 7.085 13.272 0.069 582 1HD2 LEU 75 HD21 LEU 75 5.709 12.840 -2.808 583 2HD2 LEU 75 HD22 LEU 75 7.120 11.951 -2.238 584 3HD2 LEU 75 HD23 LEU 75 7.219 12.908 -3.713 585 H GLN 76 HN GLN 76 3.741 17.157 -1.134 586 HA GLN 76 HA GLN 76 4.289 19.724 -2.103 587 1HB GLN 76 HB2 GLN 76 2.391 18.608 -0.425 588 2HB GLN 76 HB1 GLN 76 3.262 19.709 0.633 589 1HG GLN 76 HG2 GLN 76 2.108 20.510 -2.026 590 2HG GLN 76 HG1 GLN 76 1.260 20.682 -0.491 591 1HE2 GLN 76 HE21 GLN 76 1.242 22.956 -1.201 592 2HE2 GLN 76 HE22 GLN 76 2.592 23.951 -0.787 593 H GLY 77 HN GLY 77 5.317 18.123 0.902 594 1HA GLY 77 HA2 GLY 77 7.846 19.416 0.904 595 2HA GLY 77 HA1 GLY 77 6.761 20.196 2.046 596 H GLY 78 HN GLY 78 6.758 16.762 1.272 597 1HA GLY 78 HA2 GLY 78 8.043 16.175 3.845 598 2HA GLY 78 HA1 GLY 78 6.428 15.550 3.556 599 H LYS 79 HN LYS 79 9.311 15.785 1.492 600 HA LYS 79 HA LYS 79 9.000 13.503 0.043 601 1HB LYS 79 HB2 LYS 79 11.345 13.559 -0.426 602 2HB LYS 79 HB1 LYS 79 10.786 15.216 -0.272 603 1HG LYS 79 HG2 LYS 79 12.183 13.676 1.906 604 2HG LYS 79 HG1 LYS 79 12.976 14.793 0.797 605 1HD LYS 79 HD2 LYS 79 10.801 15.473 2.774 606 2HD LYS 79 HD1 LYS 79 12.507 15.892 2.909 607 1HE LYS 79 HE2 LYS 79 11.555 16.802 0.390 608 2HE LYS 79 HE1 LYS 79 10.421 17.326 1.634 609 1HZ LYS 79 HZ1 LYS 79 11.861 18.998 1.902 610 2HZ LYS 79 HZ2 LYS 79 13.128 18.187 1.129 611 3HZ LYS 79 HZ3 LYS 79 12.799 17.881 2.759 612 H HIS 80 HN HIS 80 10.265 13.763 3.316 613 HA HIS 80 HA HIS 80 11.289 11.174 3.590 614 1HB HIS 80 HB2 HIS 80 10.234 13.207 5.529 615 2HB HIS 80 HB1 HIS 80 10.651 11.592 6.094 616 HD1 HIS 80 HD1 HIS 80 12.157 14.770 4.866 617 HD2 HIS 80 HD2 HIS 80 13.405 10.997 6.081 618 HE1 HIS 80 HE1 HIS 80 14.645 14.955 5.185 619 HE2 HIS 80 HE2 HIS 80 15.365 12.683 6.002 620 H THR 81 HN THR 81 8.032 12.451 4.059 621 HA THR 81 HA THR 81 6.829 10.137 5.145 622 HB THR 81 HB THR 81 5.835 12.521 3.623 623 HG1 THR 81 HG1 THR 81 5.162 11.444 6.157 624 1HG2 THR 81 HG21 THR 81 4.339 9.990 4.007 625 2HG2 THR 81 HG22 THR 81 4.211 11.220 2.738 626 3HG2 THR 81 HG23 THR 81 3.500 11.516 4.325 627 H VAL 82 HN VAL 82 6.595 11.300 1.788 628 HA VAL 82 HA VAL 82 5.567 8.898 0.831 629 HB VAL 82 HB VAL 82 7.187 10.762 -0.859 630 1HG1 VAL 82 HG11 VAL 82 5.462 8.440 -1.279 631 2HG1 VAL 82 HG12 VAL 82 6.632 9.188 -2.369 632 3HG1 VAL 82 HG13 VAL 82 4.993 9.832 -2.256 633 1HG2 VAL 82 HG21 VAL 82 5.590 12.090 0.377 634 2HG2 VAL 82 HG22 VAL 82 4.307 10.948 0.004 635 3HG2 VAL 82 HG23 VAL 82 5.026 11.909 -1.282 636 H HIS 83 HN HIS 83 8.931 10.090 0.791 637 HA HIS 83 HA HIS 83 10.104 7.971 -0.532 638 1HB HIS 83 HB2 HIS 83 11.103 9.793 1.636 639 2HB HIS 83 HB1 HIS 83 12.110 8.468 1.068 640 HD1 HIS 83 HD1 HIS 83 10.201 9.683 -1.718 641 HD2 HIS 83 HD2 HIS 83 13.670 10.873 0.233 642 HE1 HIS 83 HE1 HIS 83 11.397 11.193 -3.335 643 HE2 HIS 83 HE2 HIS 83 13.545 11.812 -2.173 644 H HIS 84 HN HIS 84 9.181 8.199 2.876 645 HA HIS 84 HA HIS 84 10.282 5.636 3.550 646 1HB HIS 84 HB2 HIS 84 9.728 7.683 5.099 647 2HB HIS 84 HB1 HIS 84 8.127 6.955 5.165 648 HD1 HIS 84 HD1 HIS 84 9.208 6.952 7.802 649 HD2 HIS 84 HD2 HIS 84 10.423 4.047 5.090 650 HE1 HIS 84 HE1 HIS 84 10.127 5.073 9.196 651 HE2 HIS 84 HE2 HIS 84 10.939 3.365 7.531 652 H ILE 85 HN ILE 85 6.953 6.861 3.262 653 HA ILE 85 HA ILE 85 5.655 4.401 3.489 654 HB ILE 85 HB ILE 85 4.440 6.497 3.702 655 1HG1 ILE 85 HG12 ILE 85 3.579 4.364 1.952 656 2HG1 ILE 85 HG11 ILE 85 2.702 5.233 3.200 657 1HG2 ILE 85 HG21 ILE 85 5.920 7.385 1.756 658 2HG2 ILE 85 HG22 ILE 85 4.372 8.120 2.176 659 3HG2 ILE 85 HG23 ILE 85 4.490 7.007 0.807 660 1HD1 ILE 85 HD11 ILE 85 1.723 6.645 1.728 661 2HD1 ILE 85 HD12 ILE 85 1.953 5.260 0.669 662 3HD1 ILE 85 HD13 ILE 85 3.079 6.606 0.602 663 H GLU 86 HN GLU 86 7.157 5.949 0.710 664 HA GLU 86 HA GLU 86 6.108 3.985 -1.150 665 1HB GLU 86 HB2 GLU 86 7.413 5.113 -2.855 666 2HB GLU 86 HB1 GLU 86 6.531 6.300 -1.911 667 1HG GLU 86 HG2 GLU 86 8.395 7.396 -1.535 668 2HG GLU 86 HG1 GLU 86 9.079 5.984 -0.731 669 H GLN 87 HN GLN 87 9.164 4.615 0.537 670 HA GLN 87 HA GLN 87 10.570 2.479 -0.726 671 1HB GLN 87 HB2 GLN 87 11.010 4.179 1.685 672 2HB GLN 87 HB1 GLN 87 11.852 2.642 1.623 673 1HG GLN 87 HG2 GLN 87 13.027 4.753 0.734 674 2HG GLN 87 HG1 GLN 87 13.137 3.256 -0.188 675 1HE2 GLN 87 HE21 GLN 87 11.843 3.034 -2.075 676 2HE2 GLN 87 HE22 GLN 87 11.288 4.426 -2.933 677 H ASN 88 HN ASN 88 8.257 2.793 1.786 678 HA ASN 88 HA ASN 88 8.649 0.160 2.900 679 1HB ASN 88 HB2 ASN 88 6.876 2.501 3.427 680 2HB ASN 88 HB1 ASN 88 6.282 0.913 3.913 681 1HD2 ASN 88 HD21 ASN 88 9.530 2.325 3.918 682 2HD2 ASN 88 HD22 ASN 88 9.814 2.098 5.607 683 H ILE 89 HN ILE 89 6.101 1.843 1.057 684 HA ILE 89 HA ILE 89 4.553 -0.479 0.615 685 HB ILE 89 HB ILE 89 4.350 2.297 -0.096 686 1HG1 ILE 89 HG12 ILE 89 2.000 0.751 -0.645 687 2HG1 ILE 89 HG11 ILE 89 2.784 0.147 0.815 688 1HG2 ILE 89 HG21 ILE 89 4.879 1.754 -2.367 689 2HG2 ILE 89 HG22 ILE 89 3.137 2.001 -2.260 690 3HG2 ILE 89 HG23 ILE 89 3.787 0.367 -2.341 691 1HD1 ILE 89 HD11 ILE 89 2.724 3.008 0.902 692 2HD1 ILE 89 HD12 ILE 89 1.966 1.843 1.987 693 3HD1 ILE 89 HD13 ILE 89 1.107 2.395 0.551 694 H LYS 90 HN LYS 90 6.826 1.268 -1.496 695 HA LYS 90 HA LYS 90 6.568 -0.429 -3.669 696 1HB LYS 90 HB2 LYS 90 9.035 1.084 -2.786 697 2HB LYS 90 HB1 LYS 90 8.804 0.375 -4.376 698 1HG LYS 90 HG2 LYS 90 6.862 2.381 -3.305 699 2HG LYS 90 HG1 LYS 90 8.375 2.891 -4.058 700 1HD LYS 90 HD2 LYS 90 6.618 0.928 -5.465 701 2HD LYS 90 HD1 LYS 90 6.201 2.643 -5.491 702 1HE LYS 90 HE2 LYS 90 7.545 2.710 -7.289 703 2HE LYS 90 HE1 LYS 90 8.843 2.739 -6.097 704 1HZ LYS 90 HZ1 LYS 90 9.449 0.638 -6.576 705 2HZ LYS 90 HZ2 LYS 90 8.705 0.962 -8.059 706 3HZ LYS 90 HZ3 LYS 90 7.866 0.111 -6.862 707 H GLU 91 HN GLU 91 8.219 -0.827 -0.667 708 HA GLU 91 HA GLU 91 9.655 -3.193 -1.573 709 1HB GLU 91 HB2 GLU 91 10.665 -1.501 0.015 710 2HB GLU 91 HB1 GLU 91 9.523 -2.066 1.226 711 1HG GLU 91 HG2 GLU 91 10.623 -4.406 0.429 712 2HG GLU 91 HG1 GLU 91 11.983 -3.305 0.219 713 H ILE 92 HN ILE 92 6.584 -2.477 -0.551 714 HA ILE 92 HA ILE 92 6.109 -4.753 1.113 715 HB ILE 92 HB ILE 92 4.634 -2.398 0.338 716 1HG1 ILE 92 HG12 ILE 92 3.524 -2.797 2.465 717 2HG1 ILE 92 HG11 ILE 92 4.141 -4.445 2.505 718 1HG2 ILE 92 HG21 ILE 92 3.092 -4.982 0.285 719 2HG2 ILE 92 HG22 ILE 92 3.328 -3.880 -1.071 720 3HG2 ILE 92 HG23 ILE 92 2.382 -3.368 0.328 721 1HD1 ILE 92 HD11 ILE 92 6.456 -3.155 2.314 722 2HD1 ILE 92 HD12 ILE 92 5.663 -3.472 3.858 723 3HD1 ILE 92 HD13 ILE 92 5.502 -1.892 3.092 724 H PHE 93 HN PHE 93 5.390 -3.777 -2.209 725 HA PHE 93 HA PHE 93 3.940 -5.932 -3.105 726 1HB PHE 93 HB2 PHE 93 4.321 -5.095 -5.193 727 2HB PHE 93 HB1 PHE 93 5.019 -3.748 -4.296 728 HD1 PHE 93 HD1 PHE 93 5.568 -5.757 -7.004 729 HD2 PHE 93 HD2 PHE 93 7.560 -4.365 -3.515 730 HE1 PHE 93 HE1 PHE 93 7.739 -6.185 -8.076 731 HE2 PHE 93 HE2 PHE 93 9.727 -4.792 -4.573 732 HZ PHE 93 HZ PHE 93 9.829 -5.696 -6.865 733 H HIS 94 HN HIS 94 7.328 -5.752 -2.310 734 HA HIS 94 HA HIS 94 8.283 -8.011 -3.660 735 1HB HIS 94 HB2 HIS 94 9.336 -6.121 -1.898 736 2HB HIS 94 HB1 HIS 94 9.526 -7.652 -1.052 737 HD1 HIS 94 HD1 HIS 94 10.754 -9.581 -2.591 738 HD2 HIS 94 HD2 HIS 94 11.312 -5.609 -3.676 739 HE1 HIS 94 HE1 HIS 94 12.793 -9.566 -4.064 740 HE2 HIS 94 HE2 HIS 94 13.065 -7.164 -4.771 741 H HIS 95 HN HIS 95 7.454 -7.754 -0.209 742 HA HIS 95 HA HIS 95 7.368 -10.566 0.171 743 1HB HIS 95 HB2 HIS 95 6.310 -8.268 1.826 744 2HB HIS 95 HB1 HIS 95 6.232 -9.949 2.343 745 HD1 HIS 95 HD1 HIS 95 9.326 -9.480 0.588 746 HD2 HIS 95 HD2 HIS 95 7.961 -8.694 4.433 747 HE1 HIS 95 HE1 HIS 95 11.393 -9.202 1.992 748 HE2 HIS 95 HE2 HIS 95 10.543 -8.632 4.293 749 H LEU 96 HN LEU 96 5.270 -8.474 -1.421 750 HA LEU 96 HA LEU 96 2.847 -9.941 -0.721 751 1HB LEU 96 HB2 LEU 96 3.409 -7.616 -2.548 752 2HB LEU 96 HB1 LEU 96 1.835 -8.390 -2.468 753 HG LEU 96 HG LEU 96 3.262 -6.877 -0.310 754 1HD1 LEU 96 HD11 LEU 96 2.097 -5.449 -1.830 755 2HD1 LEU 96 HD12 LEU 96 1.127 -5.559 -0.360 756 3HD1 LEU 96 HD13 LEU 96 0.668 -6.482 -1.791 757 1HD2 LEU 96 HD21 LEU 96 1.329 -7.381 1.141 758 2HD2 LEU 96 HD22 LEU 96 2.282 -8.813 0.746 759 3HD2 LEU 96 HD23 LEU 96 0.747 -8.523 -0.074 760 H GLU 97 HN GLU 97 4.667 -9.202 -3.685 761 HA GLU 97 HA GLU 97 3.334 -11.213 -5.210 762 1HB GLU 97 HB2 GLU 97 5.502 -9.257 -5.647 763 2HB GLU 97 HB1 GLU 97 5.622 -10.726 -6.605 764 1HG GLU 97 HG2 GLU 97 2.954 -9.931 -6.802 765 2HG GLU 97 HG1 GLU 97 3.902 -8.450 -6.945 766 H GLU 98 HN GLU 98 5.674 -11.324 -2.805 767 HA GLU 98 HA GLU 98 7.067 -13.653 -3.871 768 1HB GLU 98 HB2 GLU 98 7.377 -11.916 -1.461 769 2HB GLU 98 HB1 GLU 98 8.033 -13.545 -1.410 770 1HG GLU 98 HG2 GLU 98 9.332 -13.051 -3.448 771 2HG GLU 98 HG1 GLU 98 8.730 -11.395 -3.398 772 H LEU 99 HN LEU 99 4.540 -12.861 -1.611 773 HA LEU 99 HA LEU 99 4.445 -15.336 -0.242 774 1HB LEU 99 HB2 LEU 99 3.418 -13.246 0.588 775 2HB LEU 99 HB1 LEU 99 2.236 -13.331 -0.704 776 HG LEU 99 HG LEU 99 1.695 -15.678 0.339 777 1HD1 LEU 99 HD11 LEU 99 2.704 -16.185 2.245 778 2HD1 LEU 99 HD12 LEU 99 2.073 -14.718 2.985 779 3HD1 LEU 99 HD13 LEU 99 3.630 -14.688 2.156 780 1HD2 LEU 99 HD21 LEU 99 0.125 -14.476 1.952 781 2HD2 LEU 99 HD22 LEU 99 0.009 -14.054 0.244 782 3HD2 LEU 99 HD23 LEU 99 0.854 -12.983 1.361 783 H VAL 100 HN VAL 100 2.366 -14.023 -2.824 784 HA VAL 100 HA VAL 100 0.894 -16.380 -3.236 785 HB VAL 100 HB VAL 100 1.465 -14.280 -5.325 786 1HG1 VAL 100 HG11 VAL 100 -0.047 -16.654 -5.378 787 2HG1 VAL 100 HG12 VAL 100 0.010 -15.375 -6.593 788 3HG1 VAL 100 HG13 VAL 100 -1.202 -15.323 -5.313 789 1HG2 VAL 100 HG21 VAL 100 -0.928 -13.571 -4.295 790 2HG2 VAL 100 HG22 VAL 100 0.608 -12.866 -3.789 791 3HG2 VAL 100 HG23 VAL 100 -0.119 -14.167 -2.844 792 H HIS 101 HN HIS 101 3.898 -15.219 -4.677 793 HA HIS 101 HA HIS 101 4.087 -17.143 -6.724 794 1HB HIS 101 HB2 HIS 101 5.450 -14.996 -6.437 795 2HB HIS 101 HB1 HIS 101 6.455 -15.914 -5.322 796 HD1 HIS 101 HD1 HIS 101 6.425 -14.910 -8.695 797 HD2 HIS 101 HD2 HIS 101 7.328 -18.479 -6.769 798 HE1 HIS 101 HE1 HIS 101 7.830 -16.214 -10.321 799 HE2 HIS 101 HE2 HIS 101 8.423 -18.341 -9.109 800 H ARG 102 HN ARG 102 5.154 -17.147 -3.361 801 HA ARG 102 HA ARG 102 6.546 -19.635 -3.549 802 1HB ARG 102 HB2 ARG 102 5.945 -17.659 -1.478 803 2HB ARG 102 HB1 ARG 102 5.923 -19.311 -0.877 804 1HG ARG 102 HG2 ARG 102 8.146 -19.567 -1.101 805 2HG ARG 102 HG1 ARG 102 8.215 -18.614 -2.585 806 1HD ARG 102 HD2 ARG 102 9.373 -17.319 -1.025 807 2HD ARG 102 HD1 ARG 102 7.769 -16.590 -1.079 808 HE ARG 102 HE ARG 102 8.033 -18.579 0.968 809 1HH1 ARG 102 HH11 ARG 102 8.584 -15.225 0.177 810 2HH1 ARG 102 HH12 ARG 102 8.536 -14.699 1.826 811 1HH2 ARG 102 HH21 ARG 102 7.968 -17.889 3.138 812 2HH2 ARG 102 HH22 ARG 102 8.187 -16.211 3.507
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