NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573178 | 2mk2 | 19749 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -17.474 -21.048 -32.709 2 H2 MET 1 2H MET 1 -17.695 -19.514 -32.045 3 H3 MET 1 3H MET 1 -16.242 -20.331 -31.786 4 HA MET 1 HA MET 1 -15.740 -20.235 -34.141 5 HB2 MET 1 1HB MET 1 -18.317 -18.610 -34.249 6 HB3 MET 1 2HB MET 1 -17.165 -18.738 -35.569 7 HG2 MET 1 1HG MET 1 -17.636 -21.098 -35.831 8 HG3 MET 1 2HG MET 1 -18.662 -21.093 -34.395 9 HE1 MET 1 3HE MET 1 -18.571 -18.224 -37.158 10 HE2 MET 1 1HE MET 1 -19.793 -18.831 -38.274 11 HE3 MET 1 2HE MET 1 -18.273 -19.708 -38.069 12 H GLY 2 H GLY 2 -13.923 -19.156 -33.557 13 HA2 GLY 2 1HA GLY 2 -12.916 -16.905 -33.890 14 HA3 GLY 2 2HA GLY 2 -14.108 -16.288 -32.754 15 H HIS 3 H HIS 3 -11.120 -16.345 -32.714 16 HA HIS 3 HA HIS 3 -10.797 -17.287 -29.939 17 HB2 HIS 3 1HB HIS 3 -8.830 -17.787 -32.226 18 HB3 HIS 3 2HB HIS 3 -8.428 -17.996 -30.522 19 HD1 HIS 3 HD1 HIS 3 -9.989 -19.730 -33.377 20 HD2 HIS 3 HD2 HIS 3 -9.846 -20.155 -29.249 21 HE1 HIS 3 HE1 HIS 3 -10.779 -22.065 -32.914 22 HE2 HIS 3 HE2 HIS 3 -10.483 -22.358 -30.428 23 H HIS 4 H HIS 4 -10.855 -15.263 -29.061 24 HA HIS 4 HA HIS 4 -8.712 -13.366 -29.809 25 HB2 HIS 4 1HB HIS 4 -11.610 -12.531 -29.319 26 HB3 HIS 4 2HB HIS 4 -10.261 -11.440 -29.627 27 HD1 HIS 4 HD1 HIS 4 -9.158 -11.707 -32.097 28 HD2 HIS 4 HD2 HIS 4 -12.916 -13.392 -31.588 29 HE1 HIS 4 HE1 HIS 4 -10.001 -12.157 -34.415 30 HE2 HIS 4 HE2 HIS 4 -12.364 -12.954 -34.074 31 H HIS 5 H HIS 5 -7.507 -13.725 -28.052 32 HA HIS 5 HA HIS 5 -8.298 -12.475 -25.559 33 HB2 HIS 5 1HB HIS 5 -8.998 -14.893 -25.245 34 HB3 HIS 5 2HB HIS 5 -7.334 -15.386 -25.532 35 HD1 HIS 5 HD1 HIS 5 -9.626 -14.384 -22.881 36 HD2 HIS 5 HD2 HIS 5 -5.507 -14.407 -23.430 37 HE1 HIS 5 HE1 HIS 5 -8.645 -14.196 -20.575 38 HE2 HIS 5 HE2 HIS 5 -6.153 -14.415 -20.924 39 H HIS 6 H HIS 6 -6.726 -10.968 -25.927 40 HA HIS 6 HA HIS 6 -4.094 -11.588 -26.892 41 HB2 HIS 6 1HB HIS 6 -5.268 -9.020 -25.741 42 HB3 HIS 6 2HB HIS 6 -3.624 -9.134 -26.361 43 HD1 HIS 6 HD1 HIS 6 -7.084 -8.594 -27.408 44 HD2 HIS 6 HD2 HIS 6 -3.499 -9.661 -29.205 45 HE1 HIS 6 HE1 HIS 6 -7.440 -8.234 -29.860 46 HE2 HIS 6 HE2 HIS 6 -5.308 -9.014 -30.942 47 H HIS 7 H HIS 7 -2.128 -10.909 -25.791 48 HA HIS 7 HA HIS 7 -1.891 -11.928 -23.076 49 HB2 HIS 7 1HB HIS 7 0.203 -10.831 -25.028 50 HB3 HIS 7 2HB HIS 7 0.569 -11.557 -23.466 51 HD1 HIS 7 HD1 HIS 7 1.463 -13.831 -23.815 52 HD2 HIS 7 HD2 HIS 7 -1.528 -12.966 -26.558 53 HE1 HIS 7 HE1 HIS 7 1.240 -15.887 -25.232 54 HE2 HIS 7 HE2 HIS 7 -0.412 -15.245 -27.018 55 H HIS 8 H HIS 8 0.121 -10.348 -22.051 56 HA HIS 8 HA HIS 8 0.450 -8.608 -20.658 57 HB2 HIS 8 1HB HIS 8 -1.138 -6.979 -22.697 58 HB3 HIS 8 2HB HIS 8 -0.127 -6.309 -21.422 59 HD1 HIS 8 HD1 HIS 8 -0.046 -7.026 -24.913 60 HD2 HIS 8 HD2 HIS 8 2.738 -7.229 -21.836 61 HE1 HIS 8 HE1 HIS 8 2.203 -6.948 -26.036 62 HE2 HIS 8 HE2 HIS 8 3.839 -6.856 -24.130 63 H SER 9 H SER 9 -1.755 -10.378 -20.276 64 HA SER 9 HA SER 9 -4.037 -8.869 -19.301 65 HB2 SER 9 1HB SER 9 -4.354 -11.078 -20.385 66 HB3 SER 9 2HB SER 9 -3.400 -11.845 -19.114 67 HG SER 9 HG SER 9 -5.849 -10.435 -18.729 68 H HIS 10 H HIS 10 -2.488 -7.627 -17.943 69 HA HIS 10 HA HIS 10 -2.387 -8.687 -15.187 70 HB2 HIS 10 1HB HIS 10 -0.078 -7.130 -16.463 71 HB3 HIS 10 2HB HIS 10 -0.139 -7.764 -14.823 72 HD1 HIS 10 HD1 HIS 10 0.884 -8.594 -18.221 73 HD2 HIS 10 HD2 HIS 10 0.045 -10.690 -14.730 74 HE1 HIS 10 HE1 HIS 10 1.807 -10.905 -18.582 75 HE2 HIS 10 HE2 HIS 10 1.126 -12.196 -16.533 76 H MET 11 H MET 11 -3.044 -7.129 -13.714 77 HA MET 11 HA MET 11 -4.028 -4.582 -14.605 78 HB2 MET 11 1HB MET 11 -5.096 -5.643 -12.668 79 HB3 MET 11 2HB MET 11 -3.570 -5.678 -11.795 80 HG2 MET 11 1HG MET 11 -3.571 -3.163 -11.814 81 HG3 MET 11 2HG MET 11 -5.177 -3.211 -12.532 82 HE1 MET 11 3HE MET 11 -7.273 -4.823 -9.625 83 HE2 MET 11 1HE MET 11 -6.505 -5.683 -10.959 84 HE3 MET 11 2HE MET 11 -7.324 -4.148 -11.253 85 H SER 12 H SER 12 -1.196 -5.733 -12.816 86 HA SER 12 HA SER 12 0.673 -4.840 -11.946 87 HB2 SER 12 1HB SER 12 0.390 -2.662 -14.074 88 HB3 SER 12 2HB SER 12 1.867 -3.093 -13.201 89 HG SER 12 HG SER 12 1.758 -5.148 -14.207 90 H TRP 13 H TRP 13 0.482 -4.007 -9.850 91 HA TRP 13 HA TRP 13 -1.408 -1.841 -9.360 92 HB2 TRP 13 1HB TRP 13 -0.654 -2.402 -6.871 93 HB3 TRP 13 2HB TRP 13 -1.755 -3.475 -7.720 94 HD1 TRP 13 HD1 TRP 13 -1.128 -5.966 -7.712 95 HE1 TRP 13 HE1 TRP 13 0.950 -7.346 -7.138 96 HE3 TRP 13 HE3 TRP 13 2.253 -2.174 -6.950 97 HZ2 TRP 13 HZ2 TRP 13 3.645 -6.945 -6.504 98 HZ3 TRP 13 HZ3 TRP 13 4.569 -2.776 -6.367 99 HH2 TRP 13 HH2 TRP 13 5.248 -5.115 -6.146 100 H TYR 14 H TYR 14 1.629 -1.795 -10.462 101 HA TYR 14 HA TYR 14 2.674 0.192 -8.532 102 HB2 TYR 14 1HB TYR 14 4.186 -1.754 -8.576 103 HB3 TYR 14 2HB TYR 14 4.301 -1.674 -10.332 104 HD1 TYR 14 HD1 TYR 14 4.736 0.669 -7.406 105 HD2 TYR 14 HD2 TYR 14 6.302 -0.683 -11.146 106 HE1 TYR 14 HE1 TYR 14 6.601 2.238 -7.190 107 HE2 TYR 14 HE2 TYR 14 8.177 0.890 -10.923 108 HH TYR 14 HH TYR 14 8.608 3.056 -9.738 109 H HIS 15 H HIS 15 2.413 2.148 -9.332 110 HA HIS 15 HA HIS 15 2.944 2.756 -12.157 111 HB2 HIS 15 1HB HIS 15 0.836 4.393 -11.792 112 HB3 HIS 15 2HB HIS 15 0.614 2.743 -12.336 113 HD1 HIS 15 HD1 HIS 15 0.692 4.607 -9.029 114 HD2 HIS 15 HD2 HIS 15 -1.178 1.346 -10.790 115 HE1 HIS 15 HE1 HIS 15 -0.904 3.720 -7.310 116 HE2 HIS 15 HE2 HIS 15 -2.156 1.907 -8.505 117 H ARG 16 H ARG 16 4.605 4.071 -11.994 118 HA ARG 16 HA ARG 16 4.985 5.952 -9.792 119 HB2 ARG 16 1HB ARG 16 7.196 6.385 -11.019 120 HB3 ARG 16 2HB ARG 16 6.960 4.765 -10.393 121 HG2 ARG 16 1HG ARG 16 7.967 4.477 -12.521 122 HG3 ARG 16 2HG ARG 16 6.269 4.063 -12.754 123 HD2 ARG 16 1HD ARG 16 5.903 6.373 -13.662 124 HD3 ARG 16 2HD ARG 16 7.640 6.651 -13.534 125 HE ARG 16 HE ARG 16 7.356 4.370 -15.058 126 HH11 ARG 16 1HH1 ARG 16 6.266 7.709 -15.326 127 HH12 ARG 16 2HH1 ARG 16 6.337 7.707 -17.054 128 HH21 ARG 16 1HH2 ARG 16 7.403 4.389 -17.319 129 HH22 ARG 16 2HH2 ARG 16 6.961 5.824 -18.185 130 H ASP 17 H ASP 17 2.737 6.434 -11.470 131 HA ASP 17 HA ASP 17 3.161 8.966 -12.800 132 HB2 ASP 17 1HB ASP 17 4.211 7.234 -14.361 133 HB3 ASP 17 2HB ASP 17 2.611 6.529 -14.569 134 H LEU 18 H LEU 18 1.281 7.652 -10.849 135 HA LEU 18 HA LEU 18 -1.282 7.979 -12.303 136 HB2 LEU 18 1HB LEU 18 -0.907 5.714 -11.297 137 HB3 LEU 18 2HB LEU 18 -0.859 6.460 -9.709 138 HG LEU 18 HG LEU 18 -3.209 7.111 -9.856 139 HD11 LEU 18 1HD1 LEU 18 -3.257 5.954 -12.660 140 HD12 LEU 18 2HD1 LEU 18 -3.368 7.666 -12.232 141 HD13 LEU 18 3HD1 LEU 18 -4.645 6.556 -11.744 142 HD21 LEU 18 3HD2 LEU 18 -2.793 4.847 -9.061 143 HD22 LEU 18 1HD2 LEU 18 -2.880 4.221 -10.710 144 HD23 LEU 18 2HD2 LEU 18 -4.311 4.924 -9.948 145 H SER 19 H SER 19 0.200 8.625 -9.097 146 HA SER 19 HA SER 19 0.187 10.461 -7.761 147 HB2 SER 19 1HB SER 19 -0.065 12.024 -9.680 148 HB3 SER 19 2HB SER 19 -1.811 11.780 -9.657 149 HG SER 19 HG SER 19 -1.574 13.546 -8.438 150 H ARG 20 H ARG 20 -1.309 11.358 -6.010 151 HA ARG 20 HA ARG 20 -2.704 9.067 -5.063 152 HB2 ARG 20 1HB ARG 20 -1.558 10.556 -3.457 153 HB3 ARG 20 2HB ARG 20 -2.703 11.848 -3.817 154 HG2 ARG 20 1HG ARG 20 -4.558 10.424 -2.950 155 HG3 ARG 20 2HG ARG 20 -3.396 9.159 -2.566 156 HD2 ARG 20 1HD ARG 20 -2.357 10.564 -0.880 157 HD3 ARG 20 2HD ARG 20 -3.374 11.936 -1.346 158 HE ARG 20 HE ARG 20 -5.132 9.908 -0.686 159 HH11 ARG 20 1HH1 ARG 20 -2.612 11.636 1.061 160 HH12 ARG 20 2HH1 ARG 20 -3.405 11.470 2.591 161 HH21 ARG 20 1HH2 ARG 20 -6.141 9.693 1.320 162 HH22 ARG 20 2HH2 ARG 20 -5.394 10.351 2.744 163 H ALA 21 H ALA 21 -3.835 12.183 -6.348 164 HA ALA 21 HA ALA 21 -6.520 12.101 -5.733 165 HB1 ALA 21 3HB ALA 21 -5.416 14.028 -6.800 166 HB2 ALA 21 1HB ALA 21 -6.851 13.555 -7.715 167 HB3 ALA 21 2HB ALA 21 -5.243 13.120 -8.303 168 H ALA 22 H ALA 22 -4.991 10.789 -8.700 169 HA ALA 22 HA ALA 22 -7.412 9.452 -9.537 170 HB1 ALA 22 3HB ALA 22 -6.090 8.689 -11.456 171 HB2 ALA 22 1HB ALA 22 -4.610 9.274 -10.684 172 HB3 ALA 22 2HB ALA 22 -5.860 10.417 -11.181 173 H ALA 23 H ALA 23 -4.626 8.500 -7.604 174 HA ALA 23 HA ALA 23 -4.826 5.656 -8.012 175 HB1 ALA 23 3HB ALA 23 -3.454 7.184 -5.754 176 HB2 ALA 23 1HB ALA 23 -2.714 6.712 -7.285 177 HB3 ALA 23 2HB ALA 23 -3.222 5.474 -6.140 178 H GLU 24 H GLU 24 -5.524 7.649 -5.162 179 HA GLU 24 HA GLU 24 -7.036 5.904 -3.633 180 HB2 GLU 24 1HB GLU 24 -6.116 7.941 -2.734 181 HB3 GLU 24 2HB GLU 24 -6.967 8.930 -3.911 182 HG2 GLU 24 1HG GLU 24 -9.098 8.436 -2.798 183 HG3 GLU 24 2HG GLU 24 -8.257 7.409 -1.632 184 H GLU 25 H GLU 25 -8.000 8.050 -6.273 185 HA GLU 25 HA GLU 25 -10.834 7.652 -6.021 186 HB2 GLU 25 1HB GLU 25 -9.667 9.599 -7.224 187 HB3 GLU 25 2HB GLU 25 -9.396 8.496 -8.562 188 HG2 GLU 25 1HG GLU 25 -11.334 9.818 -9.063 189 HG3 GLU 25 2HG GLU 25 -11.862 8.166 -8.742 190 H LEU 26 H LEU 26 -8.292 6.161 -8.039 191 HA LEU 26 HA LEU 26 -9.768 4.335 -9.528 192 HB2 LEU 26 1HB LEU 26 -7.258 4.751 -9.660 193 HB3 LEU 26 2HB LEU 26 -7.053 3.728 -8.261 194 HG LEU 26 HG LEU 26 -6.481 2.703 -10.520 195 HD11 LEU 26 1HD1 LEU 26 -8.537 1.160 -8.934 196 HD12 LEU 26 2HD1 LEU 26 -6.813 1.278 -8.580 197 HD13 LEU 26 3HD1 LEU 26 -7.347 0.493 -10.062 198 HD21 LEU 26 3HD2 LEU 26 -9.482 2.658 -10.926 199 HD22 LEU 26 1HD2 LEU 26 -8.273 1.873 -11.951 200 HD23 LEU 26 2HD2 LEU 26 -8.314 3.628 -11.826 201 H LEU 27 H LEU 27 -8.674 4.071 -6.167 202 HA LEU 27 HA LEU 27 -9.557 1.348 -5.793 203 HB2 LEU 27 1HB LEU 27 -8.809 3.462 -3.735 204 HB3 LEU 27 2HB LEU 27 -9.118 1.770 -3.364 205 HG LEU 27 HG LEU 27 -6.816 2.878 -5.010 206 HD11 LEU 27 1HD1 LEU 27 -5.402 2.005 -3.224 207 HD12 LEU 27 2HD1 LEU 27 -6.832 1.498 -2.319 208 HD13 LEU 27 3HD1 LEU 27 -6.539 3.212 -2.631 209 HD21 LEU 27 3HD2 LEU 27 -7.471 -0.036 -4.446 210 HD22 LEU 27 1HD2 LEU 27 -5.979 0.558 -5.178 211 HD23 LEU 27 2HD2 LEU 27 -7.512 0.765 -6.016 212 H ALA 28 H ALA 28 -10.859 4.567 -5.090 213 HA ALA 28 HA ALA 28 -13.039 3.694 -3.447 214 HB1 ALA 28 3HB ALA 28 -12.592 6.365 -4.823 215 HB2 ALA 28 1HB ALA 28 -12.011 5.917 -3.217 216 HB3 ALA 28 2HB ALA 28 -13.746 6.050 -3.521 217 H ARG 29 H ARG 29 -12.736 4.501 -6.898 218 HA ARG 29 HA ARG 29 -15.583 4.324 -7.420 219 HB2 ARG 29 1HB ARG 29 -13.195 4.644 -9.278 220 HB3 ARG 29 2HB ARG 29 -14.868 4.594 -9.843 221 HG2 ARG 29 1HG ARG 29 -15.342 6.589 -8.387 222 HG3 ARG 29 2HG ARG 29 -13.617 6.671 -8.018 223 HD2 ARG 29 1HD ARG 29 -14.206 8.260 -9.786 224 HD3 ARG 29 2HD ARG 29 -13.121 7.014 -10.410 225 HE ARG 29 HE ARG 29 -15.642 6.085 -10.976 226 HH11 ARG 29 1HH1 ARG 29 -13.919 9.041 -11.776 227 HH12 ARG 29 2HH1 ARG 29 -14.708 9.219 -13.307 228 HH21 ARG 29 1HH2 ARG 29 -16.682 6.354 -12.961 229 HH22 ARG 29 2HH2 ARG 29 -16.272 7.696 -13.978 230 H ALA 30 H ALA 30 -12.708 2.375 -8.302 231 HA ALA 30 HA ALA 30 -14.161 0.342 -9.691 232 HB1 ALA 30 3HB ALA 30 -11.741 0.774 -10.053 233 HB2 ALA 30 1HB ALA 30 -12.068 -0.918 -9.661 234 HB3 ALA 30 2HB ALA 30 -11.410 0.159 -8.429 235 H GLY 31 H GLY 31 -12.796 0.540 -6.432 236 HA2 GLY 31 1HA GLY 31 -13.258 -0.377 -4.435 237 HA3 GLY 31 2HA GLY 31 -14.900 -0.306 -4.985 238 H ARG 32 H ARG 32 -12.743 -2.249 -3.534 239 HA ARG 32 HA ARG 32 -14.571 -4.222 -3.081 240 HB2 ARG 32 1HB ARG 32 -14.092 -5.067 -5.388 241 HB3 ARG 32 2HB ARG 32 -12.389 -5.221 -4.980 242 HG2 ARG 32 1HG ARG 32 -12.768 -7.060 -3.541 243 HG3 ARG 32 2HG ARG 32 -14.491 -6.713 -3.395 244 HD2 ARG 32 1HD ARG 32 -13.955 -8.715 -4.818 245 HD3 ARG 32 2HD ARG 32 -14.911 -7.479 -5.641 246 HE ARG 32 HE ARG 32 -12.238 -6.939 -6.189 247 HH11 ARG 32 1HH1 ARG 32 -14.440 -9.580 -6.892 248 HH12 ARG 32 2HH1 ARG 32 -13.703 -9.926 -8.420 249 HH21 ARG 32 1HH2 ARG 32 -11.296 -7.397 -8.160 250 HH22 ARG 32 2HH2 ARG 32 -11.906 -8.702 -9.130 251 H ASP 33 H ASP 33 -13.916 -4.574 -0.900 252 HA ASP 33 HA ASP 33 -11.770 -2.844 -0.212 253 HB2 ASP 33 1HB ASP 33 -13.616 -4.534 1.507 254 HB3 ASP 33 2HB ASP 33 -12.385 -3.474 2.191 255 H GLY 34 H GLY 34 -10.003 -3.266 1.267 256 HA2 GLY 34 1HA GLY 34 -8.027 -4.429 1.695 257 HA3 GLY 34 2HA GLY 34 -8.670 -5.844 0.859 258 H SER 35 H SER 35 -9.094 -2.770 -0.629 259 HA SER 35 HA SER 35 -7.718 -3.514 -3.039 260 HB2 SER 35 1HB SER 35 -8.882 -0.789 -2.262 261 HB3 SER 35 2HB SER 35 -8.513 -1.354 -3.891 262 HG SER 35 HG SER 35 -10.102 -3.090 -3.346 263 H PHE 36 H PHE 36 -5.591 -3.013 -3.554 264 HA PHE 36 HA PHE 36 -4.309 -0.738 -2.201 265 HB2 PHE 36 1HB PHE 36 -2.302 -2.007 -1.631 266 HB3 PHE 36 2HB PHE 36 -3.698 -2.748 -0.865 267 HD1 PHE 36 HD2 PHE 36 -1.136 -3.173 -3.524 268 HD2 PHE 36 HD1 PHE 36 -4.410 -5.014 -1.476 269 HE1 PHE 36 HE2 PHE 36 -0.535 -5.345 -4.493 270 HE2 PHE 36 HE1 PHE 36 -3.782 -7.180 -2.451 271 HZ PHE 36 HZ PHE 36 -1.849 -7.349 -3.954 272 H LEU 37 H LEU 37 -2.607 0.183 -3.322 273 HA LEU 37 HA LEU 37 -1.321 -1.164 -5.501 274 HB2 LEU 37 1HB LEU 37 -1.707 0.889 -7.094 275 HB3 LEU 37 2HB LEU 37 -2.929 -0.360 -6.967 276 HG LEU 37 HG LEU 37 -4.226 1.122 -5.422 277 HD11 LEU 37 1HD1 LEU 37 -3.806 3.522 -5.355 278 HD12 LEU 37 2HD1 LEU 37 -2.263 3.278 -6.182 279 HD13 LEU 37 3HD1 LEU 37 -2.527 2.599 -4.572 280 HD21 LEU 37 3HD2 LEU 37 -4.840 0.928 -7.768 281 HD22 LEU 37 1HD2 LEU 37 -3.743 2.251 -8.186 282 HD23 LEU 37 2HD2 LEU 37 -5.158 2.554 -7.170 283 H VAL 38 H VAL 38 0.606 -0.025 -6.198 284 HA VAL 38 HA VAL 38 1.760 1.636 -4.052 285 HB VAL 38 HB VAL 38 3.218 -0.239 -5.986 286 HG11 VAL 38 1HG1 VAL 38 4.341 1.470 -3.718 287 HG12 VAL 38 2HG1 VAL 38 4.599 1.740 -5.442 288 HG13 VAL 38 3HG1 VAL 38 5.261 0.301 -4.670 289 HG21 VAL 38 3HG2 VAL 38 3.745 -1.599 -3.978 290 HG22 VAL 38 1HG2 VAL 38 2.001 -1.498 -4.238 291 HG23 VAL 38 2HG2 VAL 38 2.766 -0.521 -2.981 292 H ARG 39 H ARG 39 1.979 3.680 -4.663 293 HA ARG 39 HA ARG 39 2.208 4.392 -7.521 294 HB2 ARG 39 1HB ARG 39 1.141 6.551 -6.976 295 HB3 ARG 39 2HB ARG 39 0.090 5.214 -6.540 296 HG2 ARG 39 1HG ARG 39 0.390 5.560 -4.222 297 HG3 ARG 39 2HG ARG 39 1.854 6.509 -4.463 298 HD2 ARG 39 1HD ARG 39 -0.929 7.432 -5.261 299 HD3 ARG 39 2HD ARG 39 -0.106 7.893 -3.767 300 HE ARG 39 HE ARG 39 1.033 8.497 -6.442 301 HH11 ARG 39 1HH1 ARG 39 0.232 9.644 -3.199 302 HH12 ARG 39 2HH1 ARG 39 0.799 11.254 -3.509 303 HH21 ARG 39 1HH2 ARG 39 1.823 10.589 -6.789 304 HH22 ARG 39 2HH2 ARG 39 1.706 11.784 -5.535 305 H ASP 40 H ASP 40 3.298 6.349 -7.951 306 HA ASP 40 HA ASP 40 5.807 6.949 -6.942 307 HB2 ASP 40 1HB ASP 40 5.386 9.203 -8.075 308 HB3 ASP 40 2HB ASP 40 5.068 7.802 -9.084 309 H SER 41 H SER 41 6.361 7.764 -4.850 310 HA SER 41 HA SER 41 4.545 9.440 -3.370 311 HB2 SER 41 1HB SER 41 7.578 9.278 -3.084 312 HB3 SER 41 2HB SER 41 6.460 10.021 -1.942 313 HG SER 41 HG SER 41 5.639 7.534 -2.442 314 H GLU 42 H GLU 42 4.540 11.709 -3.215 315 HA GLU 42 HA GLU 42 5.296 13.094 -5.651 316 HB2 GLU 42 1HB GLU 42 3.080 13.379 -4.323 317 HB3 GLU 42 2HB GLU 42 4.013 14.307 -3.163 318 HG2 GLU 42 1HG GLU 42 3.776 15.038 -6.099 319 HG3 GLU 42 2HG GLU 42 2.694 15.653 -4.852 320 H SER 43 H SER 43 7.520 12.897 -5.509 321 HA SER 43 HA SER 43 9.649 13.434 -5.162 322 HB2 SER 43 1HB SER 43 8.651 15.779 -3.503 323 HB3 SER 43 2HB SER 43 10.260 15.603 -4.209 324 HG SER 43 HG SER 43 7.779 15.940 -5.555 325 H VAL 44 H VAL 44 8.249 14.281 -2.025 326 HA VAL 44 HA VAL 44 9.198 14.341 -0.026 327 HB VAL 44 HB VAL 44 9.032 12.226 1.241 328 HG11 VAL 44 1HG1 VAL 44 6.705 12.832 -0.625 329 HG12 VAL 44 2HG1 VAL 44 7.077 13.646 0.896 330 HG13 VAL 44 3HG1 VAL 44 6.587 11.953 0.907 331 HG21 VAL 44 3HG2 VAL 44 9.744 10.496 -0.269 332 HG22 VAL 44 1HG2 VAL 44 8.534 10.949 -1.470 333 HG23 VAL 44 2HG2 VAL 44 8.036 10.205 0.052 334 H ALA 45 H ALA 45 11.037 11.358 -0.928 335 HA ALA 45 HA ALA 45 13.572 12.711 -0.750 336 HB1 ALA 45 3HB ALA 45 14.346 11.355 1.169 337 HB2 ALA 45 1HB ALA 45 12.725 10.683 1.353 338 HB3 ALA 45 2HB ALA 45 13.007 12.402 1.639 339 H GLY 46 H GLY 46 12.041 11.148 -2.707 340 HA2 GLY 46 1HA GLY 46 12.439 9.556 -4.308 341 HA3 GLY 46 2HA GLY 46 13.965 9.166 -3.527 342 H ALA 47 H ALA 47 10.559 9.005 -2.502 343 HA ALA 47 HA ALA 47 10.957 6.201 -1.615 344 HB1 ALA 47 3HB ALA 47 9.238 6.599 0.051 345 HB2 ALA 47 1HB ALA 47 8.943 8.216 -0.596 346 HB3 ALA 47 2HB ALA 47 10.488 7.840 0.168 347 H PHE 48 H PHE 48 8.819 5.055 -1.355 348 HA PHE 48 HA PHE 48 7.089 5.220 -3.756 349 HB2 PHE 48 1HB PHE 48 7.669 2.729 -2.064 350 HB3 PHE 48 2HB PHE 48 6.756 2.788 -3.569 351 HD1 PHE 48 HD1 PHE 48 7.938 3.144 -5.741 352 HD2 PHE 48 HD2 PHE 48 10.099 2.664 -2.077 353 HE1 PHE 48 HE1 PHE 48 10.003 2.732 -7.004 354 HE2 PHE 48 HE2 PHE 48 12.158 2.249 -3.352 355 HZ PHE 48 HZ PHE 48 12.118 2.286 -5.819 356 H ALA 49 H ALA 49 4.803 4.719 -3.308 357 HA ALA 49 HA ALA 49 3.957 5.002 -0.478 358 HB1 ALA 49 3HB ALA 49 3.700 7.165 -1.631 359 HB2 ALA 49 1HB ALA 49 2.122 6.477 -1.231 360 HB3 ALA 49 2HB ALA 49 2.733 6.393 -2.886 361 H LEU 50 H LEU 50 2.053 3.877 0.080 362 HA LEU 50 HA LEU 50 0.903 1.988 -1.899 363 HB2 LEU 50 1HB LEU 50 2.395 0.737 -0.383 364 HB3 LEU 50 2HB LEU 50 1.615 1.451 1.017 365 HG LEU 50 HG LEU 50 -0.506 0.236 0.397 366 HD11 LEU 50 1HD1 LEU 50 1.202 -1.199 -1.650 367 HD12 LEU 50 2HD1 LEU 50 -0.130 -0.090 -1.992 368 HD13 LEU 50 3HD1 LEU 50 -0.449 -1.622 -1.183 369 HD21 LEU 50 3HD2 LEU 50 1.899 -1.541 0.908 370 HD22 LEU 50 1HD2 LEU 50 0.213 -1.955 1.234 371 HD23 LEU 50 2HD2 LEU 50 0.987 -0.648 2.128 372 H CYS 51 H CYS 51 -1.170 2.523 -2.166 373 HA CYS 51 HA CYS 51 -2.658 3.982 -0.072 374 HB2 CYS 51 1HB CYS 51 -2.427 5.123 -2.279 375 HB3 CYS 51 2HB CYS 51 -3.161 3.734 -3.075 376 HG CYS 51 HG CYS 51 -5.565 4.147 -1.444 377 H VAL 52 H VAL 52 -4.231 2.829 0.980 378 HA VAL 52 HA VAL 52 -5.223 0.278 -0.158 379 HB VAL 52 HB VAL 52 -4.463 0.687 2.776 380 HG11 VAL 52 1HG1 VAL 52 -5.387 -1.839 1.333 381 HG12 VAL 52 2HG1 VAL 52 -6.320 -0.914 2.513 382 HG13 VAL 52 3HG1 VAL 52 -4.855 -1.759 3.015 383 HG21 VAL 52 3HG2 VAL 52 -2.416 0.593 1.409 384 HG22 VAL 52 1HG2 VAL 52 -2.962 -0.918 0.667 385 HG23 VAL 52 2HG2 VAL 52 -2.577 -0.866 2.390 386 H LEU 53 H LEU 53 -7.412 0.221 -0.203 387 HA LEU 53 HA LEU 53 -9.022 2.061 1.424 388 HB2 LEU 53 1HB LEU 53 -9.431 2.182 -0.972 389 HB3 LEU 53 2HB LEU 53 -9.602 0.441 -1.086 390 HG LEU 53 HG LEU 53 -11.709 0.572 0.256 391 HD11 LEU 53 1HD1 LEU 53 -11.447 3.575 0.023 392 HD12 LEU 53 2HD1 LEU 53 -11.295 2.631 1.507 393 HD13 LEU 53 3HD1 LEU 53 -12.836 2.688 0.655 394 HD21 LEU 53 3HD2 LEU 53 -11.828 0.479 -2.172 395 HD22 LEU 53 1HD2 LEU 53 -11.730 2.239 -2.268 396 HD23 LEU 53 2HD2 LEU 53 -13.132 1.468 -1.522 397 H TYR 54 H TYR 54 -10.457 1.350 2.882 398 HA TYR 54 HA TYR 54 -11.576 -1.316 2.916 399 HB2 TYR 54 1HB TYR 54 -9.544 -1.675 4.267 400 HB3 TYR 54 2HB TYR 54 -9.912 -0.265 5.257 401 HD1 TYR 54 HD1 TYR 54 -11.650 -3.445 4.168 402 HD2 TYR 54 HD2 TYR 54 -10.812 -0.742 7.371 403 HE1 TYR 54 HE1 TYR 54 -12.884 -4.897 5.724 404 HE2 TYR 54 HE2 TYR 54 -12.037 -2.194 8.925 405 HH TYR 54 HH TYR 54 -13.842 -3.927 8.809 406 H GLN 55 H GLN 55 -13.648 -0.852 3.075 407 HA GLN 55 HA GLN 55 -15.629 0.186 3.412 408 HB2 GLN 55 1HB GLN 55 -14.550 -0.110 6.234 409 HB3 GLN 55 2HB GLN 55 -16.234 0.252 5.869 410 HG2 GLN 55 1HG GLN 55 -16.421 -1.893 4.638 411 HG3 GLN 55 2HG GLN 55 -14.744 -2.260 5.043 412 HE21 GLN 55 2HE2 GLN 55 -15.355 -4.153 6.153 413 HE22 GLN 55 1HE2 GLN 55 -16.120 -4.105 7.701 414 H LYS 56 H LYS 56 -14.904 2.202 2.317 415 HA LYS 56 HA LYS 56 -14.879 4.440 2.036 416 HB2 LYS 56 1HB LYS 56 -17.129 4.028 3.183 417 HB3 LYS 56 2HB LYS 56 -16.381 4.545 4.690 418 HG2 LYS 56 1HG LYS 56 -15.971 6.793 3.703 419 HG3 LYS 56 2HG LYS 56 -16.739 6.259 2.198 420 HD2 LYS 56 1HD LYS 56 -18.867 5.904 3.404 421 HD3 LYS 56 2HD LYS 56 -18.103 6.386 4.926 422 HE2 LYS 56 1HE LYS 56 -17.755 8.649 4.053 423 HE3 LYS 56 2HE LYS 56 -18.423 8.176 2.489 424 HZ1 LYS 56 3HZ LYS 56 -19.857 8.310 5.074 425 HZ2 LYS 56 1HZ LYS 56 -20.520 7.677 3.659 426 HZ3 LYS 56 2HZ LYS 56 -20.081 9.309 3.726 427 H HIS 57 H HIS 57 -12.634 3.233 3.514 428 HA HIS 57 HA HIS 57 -11.472 5.693 4.682 429 HB2 HIS 57 1HB HIS 57 -12.209 4.290 6.590 430 HB3 HIS 57 2HB HIS 57 -11.330 2.915 5.950 431 HD1 HIS 57 HD1 HIS 57 -10.949 5.863 8.105 432 HD2 HIS 57 HD2 HIS 57 -8.451 3.172 6.159 433 HE1 HIS 57 HE1 HIS 57 -8.712 6.099 9.217 434 HE2 HIS 57 HE2 HIS 57 -7.185 4.603 7.898 435 H VAL 58 H VAL 58 -10.019 6.103 3.139 436 HA VAL 58 HA VAL 58 -8.198 4.012 2.131 437 HB VAL 58 HB VAL 58 -8.396 6.929 1.236 438 HG11 VAL 58 1HG1 VAL 58 -6.221 5.897 0.740 439 HG12 VAL 58 2HG1 VAL 58 -7.125 6.163 -0.750 440 HG13 VAL 58 3HG1 VAL 58 -7.024 4.541 -0.063 441 HG21 VAL 58 3HG2 VAL 58 -9.653 6.150 -0.737 442 HG22 VAL 58 1HG2 VAL 58 -10.531 5.811 0.756 443 HG23 VAL 58 2HG2 VAL 58 -9.679 4.508 -0.081 444 H HIS 59 H HIS 59 -6.451 3.736 3.523 445 HA HIS 59 HA HIS 59 -5.113 6.128 4.619 446 HB2 HIS 59 1HB HIS 59 -5.594 4.133 6.175 447 HB3 HIS 59 2HB HIS 59 -4.435 3.206 5.231 448 HD1 HIS 59 HD1 HIS 59 -4.665 5.498 8.057 449 HD2 HIS 59 HD2 HIS 59 -1.697 4.340 5.396 450 HE1 HIS 59 HE1 HIS 59 -2.509 6.235 9.099 451 HE2 HIS 59 HE2 HIS 59 -0.746 5.669 7.400 452 H THR 60 H THR 60 -3.164 6.746 3.781 453 HA THR 60 HA THR 60 -2.010 5.121 1.585 454 HB THR 60 HB THR 60 -1.874 8.168 1.840 455 HG1 THR 60 HG1 THR 60 -3.973 6.797 1.167 456 HG21 THR 60 3HG2 THR 60 -0.011 7.198 0.534 457 HG22 THR 60 1HG2 THR 60 -1.111 8.091 -0.516 458 HG23 THR 60 2HG2 THR 60 -1.161 6.326 -0.484 459 H TYR 61 H TYR 61 0.101 4.623 1.821 460 HA TYR 61 HA TYR 61 1.478 5.326 4.348 461 HB2 TYR 61 1HB TYR 61 1.730 2.763 2.674 462 HB3 TYR 61 2HB TYR 61 2.590 3.095 4.167 463 HD1 TYR 61 HD2 TYR 61 -0.760 2.314 2.740 464 HD2 TYR 61 HD1 TYR 61 1.556 2.633 6.313 465 HE1 TYR 61 HE2 TYR 61 -2.540 1.162 3.982 466 HE2 TYR 61 HE1 TYR 61 -0.211 1.465 7.561 467 HH TYR 61 HH TYR 61 -2.629 1.032 7.396 468 H ARG 62 H ARG 62 3.768 5.763 4.138 469 HA ARG 62 HA ARG 62 4.884 5.873 1.402 470 HB2 ARG 62 1HB ARG 62 5.769 7.250 3.970 471 HB3 ARG 62 2HB ARG 62 6.774 7.191 2.519 472 HG2 ARG 62 1HG ARG 62 4.896 8.320 1.261 473 HG3 ARG 62 2HG ARG 62 4.044 8.506 2.800 474 HD2 ARG 62 1HD ARG 62 6.775 9.655 2.119 475 HD3 ARG 62 2HD ARG 62 5.257 10.558 2.167 476 HE ARG 62 HE ARG 62 6.442 9.239 4.543 477 HH11 ARG 62 1HH1 ARG 62 4.786 11.983 3.127 478 HH12 ARG 62 2HH1 ARG 62 4.827 12.920 4.584 479 HH21 ARG 62 1HH2 ARG 62 6.466 10.452 6.462 480 HH22 ARG 62 2HH2 ARG 62 5.799 12.053 6.477 481 H ILE 63 H ILE 63 7.519 5.244 1.596 482 HA ILE 63 HA ILE 63 7.869 2.780 2.774 483 HB ILE 63 HB ILE 63 7.230 2.692 -0.232 484 HG12 ILE 63 1HG1 ILE 63 5.895 0.549 0.570 485 HG13 ILE 63 2HG1 ILE 63 5.954 1.295 2.151 486 HG21 ILE 63 1HG2 ILE 63 8.663 0.565 1.415 487 HG22 ILE 63 2HG2 ILE 63 9.370 1.558 0.138 488 HG23 ILE 63 3HG2 ILE 63 8.129 0.370 -0.259 489 HD11 ILE 63 3HD1 ILE 63 4.673 2.404 -0.331 490 HD12 ILE 63 1HD1 ILE 63 4.732 3.213 1.233 491 HD13 ILE 63 2HD1 ILE 63 3.864 1.696 1.063 492 H LEU 64 H LEU 64 10.008 3.407 3.226 493 HA LEU 64 HA LEU 64 11.363 5.069 1.181 494 HB2 LEU 64 1HB LEU 64 11.520 5.336 4.212 495 HB3 LEU 64 2HB LEU 64 12.649 6.103 3.107 496 HG LEU 64 HG LEU 64 10.507 7.183 2.049 497 HD11 LEU 64 1HD1 LEU 64 8.668 7.623 3.591 498 HD12 LEU 64 2HD1 LEU 64 9.392 6.547 4.789 499 HD13 LEU 64 3HD1 LEU 64 8.818 5.900 3.249 500 HD21 LEU 64 3HD2 LEU 64 10.695 9.113 3.519 501 HD22 LEU 64 1HD2 LEU 64 12.283 8.446 3.145 502 HD23 LEU 64 2HD2 LEU 64 11.547 8.143 4.722 503 HA PRO 65 HA PRO 65 14.821 2.057 1.409 504 HB2 PRO 65 1HB PRO 65 16.144 4.575 0.368 505 HB3 PRO 65 2HB PRO 65 16.374 2.897 -0.155 506 HG2 PRO 65 1HG PRO 65 14.883 4.536 -1.623 507 HG3 PRO 65 2HG PRO 65 14.341 2.863 -1.355 508 HD2 PRO 65 1HD PRO 65 13.359 5.411 -0.059 509 HD3 PRO 65 2HD PRO 65 12.439 3.980 -0.583 510 H ASP 66 H ASP 66 15.977 5.409 1.984 511 HA ASP 66 HA ASP 66 15.378 6.529 4.116 512 HB2 ASP 66 1HB ASP 66 15.129 4.407 5.470 513 HB3 ASP 66 2HB ASP 66 16.871 4.207 5.428 514 H GLY 67 H GLY 67 18.376 4.569 4.025 515 HA2 GLY 67 1HA GLY 67 19.920 6.625 2.761 516 HA3 GLY 67 2HA GLY 67 20.232 6.542 4.491 517 H GLU 68 H GLU 68 19.418 3.610 2.716 518 HA GLU 68 HA GLU 68 22.244 2.867 2.417 519 HB2 GLU 68 1HB GLU 68 20.186 0.994 3.661 520 HB3 GLU 68 2HB GLU 68 21.870 0.616 3.325 521 HG2 GLU 68 1HG GLU 68 22.583 2.209 5.048 522 HG3 GLU 68 2HG GLU 68 20.903 2.655 5.349 523 H ASP 69 H ASP 69 19.216 1.004 2.062 524 HA ASP 69 HA ASP 69 18.827 1.200 -0.709 525 HB2 ASP 69 1HB ASP 69 21.195 0.186 -0.718 526 HB3 ASP 69 2HB ASP 69 20.494 -1.290 -0.065 527 H PHE 70 H PHE 70 17.711 0.271 2.165 528 HA PHE 70 HA PHE 70 16.346 -2.250 1.371 529 HB2 PHE 70 1HB PHE 70 16.856 -1.154 4.185 530 HB3 PHE 70 2HB PHE 70 16.177 -2.723 3.776 531 HD1 PHE 70 HD1 PHE 70 17.628 -4.559 2.989 532 HD2 PHE 70 HD2 PHE 70 19.271 -0.756 4.033 533 HE1 PHE 70 HE1 PHE 70 19.868 -5.556 3.099 534 HE2 PHE 70 HE2 PHE 70 21.513 -1.759 4.133 535 HZ PHE 70 HZ PHE 70 21.812 -4.161 3.674 536 H LEU 71 H LEU 71 14.027 -2.273 1.566 537 HA LEU 71 HA LEU 71 12.849 0.452 1.637 538 HB2 LEU 71 1HB LEU 71 11.791 -2.144 0.407 539 HB3 LEU 71 2HB LEU 71 10.886 -0.642 0.459 540 HG LEU 71 HG LEU 71 12.699 0.413 -0.976 541 HD11 LEU 71 1HD1 LEU 71 14.549 -1.114 -0.536 542 HD12 LEU 71 2HD1 LEU 71 14.200 -1.030 -2.258 543 HD13 LEU 71 3HD1 LEU 71 13.677 -2.433 -1.325 544 HD21 LEU 71 3HD2 LEU 71 11.872 -0.560 -3.082 545 HD22 LEU 71 1HD2 LEU 71 10.557 -0.310 -1.936 546 HD23 LEU 71 2HD2 LEU 71 11.200 -1.933 -2.198 547 H ALA 72 H ALA 72 12.130 0.899 3.622 548 HA ALA 72 HA ALA 72 10.827 -1.154 5.289 549 HB1 ALA 72 3HB ALA 72 11.309 0.337 7.190 550 HB2 ALA 72 1HB ALA 72 11.995 1.541 6.092 551 HB3 ALA 72 2HB ALA 72 12.783 -0.024 6.291 552 H VAL 73 H VAL 73 8.789 -0.905 5.990 553 HA VAL 73 HA VAL 73 7.196 1.460 5.144 554 HB VAL 73 HB VAL 73 6.077 -1.324 5.707 555 HG11 VAL 73 1HG1 VAL 73 4.030 -0.475 4.591 556 HG12 VAL 73 2HG1 VAL 73 4.795 1.099 4.370 557 HG13 VAL 73 3HG1 VAL 73 4.448 0.510 5.996 558 HG21 VAL 73 3HG2 VAL 73 7.558 -1.500 3.768 559 HG22 VAL 73 1HG2 VAL 73 6.768 -0.121 3.000 560 HG23 VAL 73 2HG2 VAL 73 5.877 -1.624 3.249 561 H GLN 74 H GLN 74 6.383 2.646 6.782 562 HA GLN 74 HA GLN 74 6.770 1.714 9.549 563 HB2 GLN 74 1HB GLN 74 6.206 4.506 8.440 564 HB3 GLN 74 2HB GLN 74 6.422 4.123 10.147 565 HG2 GLN 74 1HG GLN 74 8.514 3.845 7.966 566 HG3 GLN 74 2HG GLN 74 8.457 5.095 9.207 567 HE21 GLN 74 2HE2 GLN 74 10.585 3.163 8.613 568 HE22 GLN 74 1HE2 GLN 74 10.837 2.267 10.068 569 H THR 75 H THR 75 5.052 0.417 9.897 570 HA THR 75 HA THR 75 2.300 1.316 9.387 571 HB THR 75 HB THR 75 1.646 -0.907 10.330 572 HG1 THR 75 HG1 THR 75 3.048 -1.974 11.506 573 HG21 THR 75 3HG2 THR 75 2.603 -2.307 8.536 574 HG22 THR 75 1HG2 THR 75 3.859 -1.101 8.251 575 HG23 THR 75 2HG2 THR 75 2.172 -0.716 7.902 576 H SER 76 H SER 76 4.295 0.332 12.150 577 HA SER 76 HA SER 76 3.684 2.740 13.593 578 HB2 SER 76 1HB SER 76 2.934 0.065 14.851 579 HB3 SER 76 2HB SER 76 3.007 1.593 15.718 580 HG SER 76 HG SER 76 1.437 2.158 13.805 581 H GLN 77 H GLN 77 4.964 2.445 15.869 582 HA GLN 77 HA GLN 77 7.708 1.983 15.007 583 HB2 GLN 77 1HB GLN 77 6.656 3.186 17.607 584 HB3 GLN 77 2HB GLN 77 8.349 3.116 17.135 585 HG2 GLN 77 1HG GLN 77 7.623 5.335 16.690 586 HG3 GLN 77 2HG GLN 77 7.754 4.539 15.124 587 HE21 GLN 77 2HE2 GLN 77 6.309 5.894 14.076 588 HE22 GLN 77 1HE2 GLN 77 4.615 5.921 14.419 589 H GLY 78 H GLY 78 5.834 1.135 17.957 590 HA2 GLY 78 1HA GLY 78 7.432 -0.848 19.016 591 HA3 GLY 78 2HA GLY 78 5.695 -0.731 19.234 592 H VAL 79 H VAL 79 4.978 -1.164 16.461 593 HA VAL 79 HA VAL 79 5.046 -3.942 16.113 594 HB VAL 79 HB VAL 79 4.675 -1.744 14.022 595 HG11 VAL 79 1HG1 VAL 79 3.945 -4.696 13.752 596 HG12 VAL 79 2HG1 VAL 79 5.249 -3.880 12.888 597 HG13 VAL 79 3HG1 VAL 79 3.570 -3.429 12.580 598 HG21 VAL 79 3HG2 VAL 79 2.614 -3.343 15.579 599 HG22 VAL 79 1HG2 VAL 79 2.263 -2.142 14.333 600 HG23 VAL 79 2HG2 VAL 79 3.031 -1.647 15.842 601 HA PRO 80 HA PRO 80 9.404 -4.393 14.776 602 HB2 PRO 80 1HB PRO 80 8.367 -7.073 13.867 603 HB3 PRO 80 2HB PRO 80 9.779 -6.697 14.866 604 HG2 PRO 80 1HG PRO 80 7.586 -7.712 15.984 605 HG3 PRO 80 2HG PRO 80 8.485 -6.418 16.810 606 HD2 PRO 80 1HD PRO 80 5.947 -6.217 15.180 607 HD3 PRO 80 2HD PRO 80 6.344 -5.455 16.737 608 H VAL 81 H VAL 81 9.866 -3.251 13.003 609 HA VAL 81 HA VAL 81 8.225 -3.240 10.607 610 HB VAL 81 HB VAL 81 10.781 -1.690 11.286 611 HG11 VAL 81 1HG1 VAL 81 10.542 -1.889 8.832 612 HG12 VAL 81 2HG1 VAL 81 10.271 -0.226 9.353 613 HG13 VAL 81 3HG1 VAL 81 8.897 -1.249 8.929 614 HG21 VAL 81 3HG2 VAL 81 9.285 0.256 11.662 615 HG22 VAL 81 1HG2 VAL 81 8.878 -1.080 12.745 616 HG23 VAL 81 2HG2 VAL 81 7.878 -0.757 11.327 617 H ARG 82 H ARG 82 8.870 -3.981 8.590 618 HA ARG 82 HA ARG 82 11.323 -5.643 8.470 619 HB2 ARG 82 1HB ARG 82 8.654 -6.111 7.076 620 HB3 ARG 82 2HB ARG 82 10.138 -6.915 6.594 621 HG2 ARG 82 1HG ARG 82 8.998 -8.476 7.935 622 HG3 ARG 82 2HG ARG 82 10.285 -7.844 8.963 623 HD2 ARG 82 1HD ARG 82 8.571 -6.280 9.981 624 HD3 ARG 82 2HD ARG 82 7.338 -7.128 9.047 625 HE ARG 82 HE ARG 82 7.456 -8.895 10.496 626 HH11 ARG 82 1HH1 ARG 82 10.192 -6.759 11.140 627 HH12 ARG 82 2HH1 ARG 82 10.653 -7.597 12.586 628 HH21 ARG 82 1HH2 ARG 82 8.065 -9.949 12.401 629 HH22 ARG 82 2HH2 ARG 82 9.445 -9.408 13.297 630 H ARG 83 H ARG 83 12.786 -5.053 7.068 631 HA ARG 83 HA ARG 83 12.232 -3.092 4.966 632 HB2 ARG 83 1HB ARG 83 14.670 -2.893 4.793 633 HB3 ARG 83 2HB ARG 83 14.168 -2.710 6.469 634 HG2 ARG 83 1HG ARG 83 14.843 -5.113 6.859 635 HG3 ARG 83 2HG ARG 83 15.495 -5.138 5.219 636 HD2 ARG 83 1HD ARG 83 16.943 -3.142 5.921 637 HD3 ARG 83 2HD ARG 83 16.431 -3.476 7.579 638 HE ARG 83 HE ARG 83 17.406 -5.867 6.644 639 HH11 ARG 83 1HH1 ARG 83 18.754 -2.635 6.925 640 HH12 ARG 83 2HH1 ARG 83 20.373 -3.204 7.169 641 HH21 ARG 83 1HH2 ARG 83 19.526 -6.592 6.892 642 HH22 ARG 83 2HH2 ARG 83 20.807 -5.454 7.152 643 H PHE 84 H PHE 84 12.249 -3.669 2.833 644 HA PHE 84 HA PHE 84 12.428 -6.533 2.128 645 HB2 PHE 84 1HB PHE 84 10.779 -4.367 0.733 646 HB3 PHE 84 2HB PHE 84 10.669 -6.109 0.491 647 HD1 PHE 84 HD1 PHE 84 9.850 -7.543 2.469 648 HD2 PHE 84 HD2 PHE 84 9.401 -3.300 2.349 649 HE1 PHE 84 HE1 PHE 84 8.104 -7.673 4.181 650 HE2 PHE 84 HE2 PHE 84 7.648 -3.443 4.061 651 HZ PHE 84 HZ PHE 84 7.004 -5.629 4.979 652 H GLN 85 H GLN 85 13.451 -7.095 0.184 653 HA GLN 85 HA GLN 85 15.232 -5.082 -1.004 654 HB2 GLN 85 1HB GLN 85 15.069 -8.081 -1.552 655 HB3 GLN 85 2HB GLN 85 16.334 -6.988 -2.121 656 HG2 GLN 85 1HG GLN 85 15.758 -7.776 0.754 657 HG3 GLN 85 2HG GLN 85 17.140 -8.277 -0.220 658 HE21 GLN 85 2HE2 GLN 85 18.845 -6.778 -0.553 659 HE22 GLN 85 1HE2 GLN 85 18.983 -5.324 0.367 660 H THR 86 H THR 86 12.145 -6.459 -1.599 661 HA THR 86 HA THR 86 11.970 -5.211 -4.236 662 HB THR 86 HB THR 86 10.732 -7.129 -5.226 663 HG1 THR 86 HG1 THR 86 11.424 -8.451 -2.816 664 HG21 THR 86 3HG2 THR 86 12.557 -8.717 -5.590 665 HG22 THR 86 1HG2 THR 86 13.432 -8.059 -4.205 666 HG23 THR 86 2HG2 THR 86 13.171 -7.063 -5.641 667 H LEU 87 H LEU 87 9.871 -4.498 -4.707 668 HA LEU 87 HA LEU 87 8.010 -3.942 -2.656 669 HB2 LEU 87 1HB LEU 87 7.666 -3.963 -5.679 670 HB3 LEU 87 2HB LEU 87 6.429 -3.371 -4.581 671 HG LEU 87 HG LEU 87 9.222 -2.173 -4.846 672 HD11 LEU 87 1HD1 LEU 87 7.939 -1.822 -6.892 673 HD12 LEU 87 2HD1 LEU 87 8.148 -0.308 -6.017 674 HD13 LEU 87 3HD1 LEU 87 6.594 -1.146 -5.964 675 HD21 LEU 87 3HD2 LEU 87 8.342 -0.307 -3.493 676 HD22 LEU 87 1HD2 LEU 87 8.272 -1.826 -2.602 677 HD23 LEU 87 2HD2 LEU 87 6.801 -1.151 -3.306 678 H GLY 88 H GLY 88 8.296 -6.725 -4.798 679 HA2 GLY 88 1HA GLY 88 5.828 -7.982 -4.478 680 HA3 GLY 88 2HA GLY 88 7.353 -8.816 -4.726 681 H GLU 89 H GLU 89 8.684 -8.172 -2.351 682 HA GLU 89 HA GLU 89 7.707 -10.052 -0.458 683 HB2 GLU 89 1HB GLU 89 9.739 -7.802 -0.141 684 HB3 GLU 89 2HB GLU 89 9.473 -9.063 1.058 685 HG2 GLU 89 1HG GLU 89 10.284 -10.763 -0.440 686 HG3 GLU 89 2HG GLU 89 10.353 -9.623 -1.784 687 H LEU 90 H LEU 90 7.460 -6.569 -0.710 688 HA LEU 90 HA LEU 90 6.415 -5.862 1.790 689 HB2 LEU 90 1HB LEU 90 7.405 -4.398 -0.027 690 HB3 LEU 90 2HB LEU 90 5.920 -4.579 -0.934 691 HG LEU 90 HG LEU 90 6.064 -3.227 1.795 692 HD11 LEU 90 1HD1 LEU 90 7.495 -2.039 0.201 693 HD12 LEU 90 2HD1 LEU 90 6.064 -1.090 0.580 694 HD13 LEU 90 3HD1 LEU 90 6.169 -1.945 -0.960 695 HD21 LEU 90 3HD2 LEU 90 3.902 -2.178 1.149 696 HD22 LEU 90 1HD2 LEU 90 3.774 -3.936 1.231 697 HD23 LEU 90 2HD2 LEU 90 3.881 -3.135 -0.336 698 H ILE 91 H ILE 91 4.751 -6.342 -1.305 699 HA ILE 91 HA ILE 91 2.100 -6.207 -0.463 700 HB ILE 91 HB ILE 91 3.338 -7.628 -2.856 701 HG12 ILE 91 1HG1 ILE 91 3.848 -5.237 -2.840 702 HG13 ILE 91 2HG1 ILE 91 2.687 -5.567 -4.114 703 HG21 ILE 91 1HG2 ILE 91 1.095 -8.535 -2.512 704 HG22 ILE 91 2HG2 ILE 91 1.122 -7.503 -3.943 705 HG23 ILE 91 3HG2 ILE 91 0.421 -6.904 -2.438 706 HD11 ILE 91 3HD1 ILE 91 0.903 -4.682 -2.660 707 HD12 ILE 91 1HD1 ILE 91 2.163 -3.507 -3.026 708 HD13 ILE 91 2HD1 ILE 91 2.124 -4.288 -1.446 709 H GLY 92 H GLY 92 4.297 -8.984 -0.615 710 HA2 GLY 92 1HA GLY 92 2.323 -11.026 -0.281 711 HA3 GLY 92 2HA GLY 92 4.062 -11.206 -0.109 712 H LEU 93 H LEU 93 4.642 -9.464 1.940 713 HA LEU 93 HA LEU 93 3.967 -10.953 4.251 714 HB2 LEU 93 1HB LEU 93 6.089 -9.669 4.001 715 HB3 LEU 93 2HB LEU 93 5.178 -8.166 4.067 716 HG LEU 93 HG LEU 93 4.395 -8.857 6.399 717 HD11 LEU 93 1HD1 LEU 93 4.820 -11.250 6.294 718 HD12 LEU 93 2HD1 LEU 93 5.687 -10.521 7.642 719 HD13 LEU 93 3HD1 LEU 93 6.561 -10.966 6.171 720 HD21 LEU 93 3HD2 LEU 93 6.425 -8.122 7.520 721 HD22 LEU 93 1HD2 LEU 93 6.109 -7.162 6.077 722 HD23 LEU 93 2HD2 LEU 93 7.366 -8.404 6.053 723 H TYR 94 H TYR 94 3.010 -7.663 3.196 724 HA TYR 94 HA TYR 94 1.289 -7.263 5.457 725 HB2 TYR 94 1HB TYR 94 1.799 -5.600 2.975 726 HB3 TYR 94 2HB TYR 94 0.630 -5.124 4.205 727 HD1 TYR 94 HD2 TYR 94 1.683 -5.463 6.733 728 HD2 TYR 94 HD1 TYR 94 3.879 -4.491 3.202 729 HE1 TYR 94 HE2 TYR 94 3.444 -4.470 8.111 730 HE2 TYR 94 HE1 TYR 94 5.646 -3.492 4.581 731 HH TYR 94 HH TYR 94 5.876 -2.488 6.891 732 H ALA 95 H ALA 95 0.764 -8.859 2.473 733 HA ALA 95 HA ALA 95 -2.041 -8.831 2.332 734 HB1 ALA 95 3HB ALA 95 -0.182 -11.193 1.866 735 HB2 ALA 95 1HB ALA 95 -0.596 -9.959 0.672 736 HB3 ALA 95 2HB ALA 95 -1.842 -11.050 1.279 737 H GLN 96 H GLN 96 0.079 -10.147 4.660 738 HA GLN 96 HA GLN 96 -1.984 -11.648 6.139 739 HB2 GLN 96 1HB GLN 96 0.961 -11.211 6.806 740 HB3 GLN 96 2HB GLN 96 -0.123 -12.372 7.572 741 HG2 GLN 96 1HG GLN 96 -0.178 -13.744 5.612 742 HG3 GLN 96 2HG GLN 96 0.586 -12.494 4.631 743 HE21 GLN 96 2HE2 GLN 96 2.646 -11.772 6.511 744 HE22 GLN 96 1HE2 GLN 96 3.755 -13.091 6.561 745 HA PRO 97 HA PRO 97 -2.751 -8.129 9.058 746 HB2 PRO 97 1HB PRO 97 -3.012 -10.552 10.867 747 HB3 PRO 97 2HB PRO 97 -4.020 -9.098 10.776 748 HG2 PRO 97 1HG PRO 97 -4.852 -11.349 9.628 749 HG3 PRO 97 2HG PRO 97 -5.094 -9.790 8.809 750 HD2 PRO 97 1HD PRO 97 -3.113 -11.961 8.216 751 HD3 PRO 97 2HD PRO 97 -3.942 -10.837 7.108 752 H ASN 98 H ASN 98 -1.271 -7.048 10.075 753 HA ASN 98 HA ASN 98 1.238 -8.355 11.002 754 HB2 ASN 98 1HB ASN 98 2.450 -6.289 10.401 755 HB3 ASN 98 2HB ASN 98 1.588 -6.922 9.005 756 HD21 ASN 98 2HD2 ASN 98 2.567 -4.183 9.797 757 HD22 ASN 98 1HD2 ASN 98 1.198 -3.161 9.552 758 H GLN 99 H GLN 99 -1.104 -5.767 11.714 759 HA GLN 99 HA GLN 99 -1.693 -4.911 13.783 760 HB2 GLN 99 1HB GLN 99 0.043 -6.147 15.168 761 HB3 GLN 99 2HB GLN 99 1.237 -4.974 14.636 762 HG2 GLN 99 1HG GLN 99 -0.193 -3.175 15.677 763 HG3 GLN 99 2HG GLN 99 -1.210 -4.444 16.346 764 HE21 GLN 99 2HE2 GLN 99 1.149 -6.202 16.935 765 HE22 GLN 99 1HE2 GLN 99 1.902 -5.486 18.312 766 H GLY 100 H GLY 100 -2.258 -3.206 12.589 767 HA2 GLY 100 1HA GLY 100 -1.561 -0.739 12.576 768 HA3 GLY 100 2HA GLY 100 -0.198 -1.288 11.608 769 H LEU 101 H LEU 101 -1.654 -3.221 10.042 770 HA LEU 101 HA LEU 101 -2.617 -1.495 7.970 771 HB2 LEU 101 1HB LEU 101 -2.140 -4.428 8.259 772 HB3 LEU 101 2HB LEU 101 -3.382 -4.009 7.103 773 HG LEU 101 HG LEU 101 -1.060 -4.368 6.138 774 HD11 LEU 101 1HD1 LEU 101 -2.311 -1.659 5.611 775 HD12 LEU 101 2HD1 LEU 101 -2.761 -3.194 4.860 776 HD13 LEU 101 3HD1 LEU 101 -1.166 -2.506 4.559 777 HD21 LEU 101 3HD2 LEU 101 0.239 -3.261 7.909 778 HD22 LEU 101 1HD2 LEU 101 -0.427 -1.697 7.435 779 HD23 LEU 101 2HD2 LEU 101 0.607 -2.600 6.320 780 H VAL 102 H VAL 102 -4.614 -1.038 7.318 781 HA VAL 102 HA VAL 102 -6.745 -0.996 9.137 782 HB VAL 102 HB VAL 102 -8.132 -0.114 7.249 783 HG11 VAL 102 1HG1 VAL 102 -5.356 1.120 7.439 784 HG12 VAL 102 2HG1 VAL 102 -6.710 1.425 8.528 785 HG13 VAL 102 3HG1 VAL 102 -6.806 1.936 6.843 786 HG21 VAL 102 3HG2 VAL 102 -7.141 0.215 5.001 787 HG22 VAL 102 1HG2 VAL 102 -7.237 -1.502 5.396 788 HG23 VAL 102 2HG2 VAL 102 -5.690 -0.659 5.495 789 H CYS 103 H CYS 103 -5.939 -3.370 6.690 790 HA CYS 103 HA CYS 103 -7.939 -5.238 7.620 791 HB2 CYS 103 1HB CYS 103 -9.059 -5.488 5.395 792 HB3 CYS 103 2HB CYS 103 -9.331 -3.905 6.113 793 HG CYS 103 HG CYS 103 -9.023 -3.289 3.513 794 H ALA 104 H ALA 104 -4.910 -4.702 6.462 795 HA ALA 104 HA ALA 104 -3.247 -5.813 5.411 796 HB1 ALA 104 3HB ALA 104 -3.877 -7.783 6.771 797 HB2 ALA 104 1HB ALA 104 -3.262 -8.248 5.182 798 HB3 ALA 104 2HB ALA 104 -4.997 -8.292 5.507 799 H LEU 105 H LEU 105 -2.731 -7.056 3.279 800 HA LEU 105 HA LEU 105 -4.134 -5.593 1.175 801 HB2 LEU 105 1HB LEU 105 -1.556 -7.205 1.038 802 HB3 LEU 105 2HB LEU 105 -2.180 -6.140 -0.210 803 HG LEU 105 HG LEU 105 -1.012 -5.363 2.484 804 HD11 LEU 105 1HD1 LEU 105 0.603 -5.830 0.723 805 HD12 LEU 105 2HD1 LEU 105 0.615 -4.125 1.161 806 HD13 LEU 105 3HD1 LEU 105 -0.170 -4.643 -0.337 807 HD21 LEU 105 3HD2 LEU 105 -1.488 -3.007 1.953 808 HD22 LEU 105 1HD2 LEU 105 -2.963 -3.942 2.174 809 HD23 LEU 105 2HD2 LEU 105 -2.433 -3.507 0.549 810 H LEU 106 H LEU 106 -5.926 -6.680 0.616 811 HA LEU 106 HA LEU 106 -6.035 -9.584 0.498 812 HB2 LEU 106 1HB LEU 106 -7.934 -8.205 1.396 813 HB3 LEU 106 2HB LEU 106 -8.195 -7.572 -0.220 814 HG LEU 106 HG LEU 106 -8.715 -9.895 -1.021 815 HD11 LEU 106 1HD1 LEU 106 -9.117 -11.696 0.587 816 HD12 LEU 106 2HD1 LEU 106 -8.536 -10.675 1.905 817 HD13 LEU 106 3HD1 LEU 106 -7.432 -11.177 0.621 818 HD21 LEU 106 3HD2 LEU 106 -10.450 -8.948 1.279 819 HD22 LEU 106 1HD2 LEU 106 -10.939 -10.049 -0.013 820 HD23 LEU 106 2HD2 LEU 106 -10.527 -8.378 -0.391 821 H LEU 107 H LEU 107 -6.383 -6.881 -1.796 822 HA LEU 107 HA LEU 107 -5.481 -8.312 -4.074 823 HB2 LEU 107 1HB LEU 107 -7.453 -8.678 -5.335 824 HB3 LEU 107 2HB LEU 107 -7.793 -9.340 -3.750 825 HG LEU 107 HG LEU 107 -8.892 -6.738 -4.906 826 HD11 LEU 107 1HD1 LEU 107 -11.042 -7.878 -4.858 827 HD12 LEU 107 2HD1 LEU 107 -10.282 -9.342 -4.228 828 HD13 LEU 107 3HD1 LEU 107 -9.879 -8.760 -5.845 829 HD21 LEU 107 3HD2 LEU 107 -10.287 -6.534 -2.892 830 HD22 LEU 107 1HD2 LEU 107 -8.574 -6.443 -2.484 831 HD23 LEU 107 2HD2 LEU 107 -9.477 -7.925 -2.167 832 HA PRO 108 HA PRO 108 -4.684 -4.091 -5.241 833 HB2 PRO 108 1HB PRO 108 -5.215 -4.859 -8.106 834 HB3 PRO 108 2HB PRO 108 -3.785 -4.097 -7.388 835 HG2 PRO 108 1HG PRO 108 -3.726 -6.670 -8.085 836 HG3 PRO 108 2HG PRO 108 -2.947 -6.134 -6.582 837 HD2 PRO 108 1HD PRO 108 -5.609 -7.519 -6.941 838 HD3 PRO 108 2HD PRO 108 -4.349 -7.798 -5.717 839 H VAL 109 H VAL 109 -7.213 -5.345 -7.376 840 HA VAL 109 HA VAL 109 -9.331 -3.861 -6.122 841 HB VAL 109 HB VAL 109 -8.391 -3.017 -8.882 842 HG11 VAL 109 1HG1 VAL 109 -11.343 -2.919 -8.093 843 HG12 VAL 109 2HG1 VAL 109 -10.653 -3.922 -9.370 844 HG13 VAL 109 3HG1 VAL 109 -10.633 -2.170 -9.529 845 HG21 VAL 109 3HG2 VAL 109 -8.017 -1.499 -6.961 846 HG22 VAL 109 1HG2 VAL 109 -9.755 -1.454 -6.641 847 HG23 VAL 109 2HG2 VAL 109 -9.108 -0.766 -8.137 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.152 -27.785 -30.195 2 H2 MET 1 2H MET 1 10.283 -26.823 -29.382 3 H3 MET 1 3H MET 1 10.583 -27.324 -30.966 4 HA MET 1 HA MET 1 9.931 -25.009 -30.834 5 HB2 MET 1 1HB MET 1 8.185 -25.100 -32.605 6 HB3 MET 1 2HB MET 1 9.477 -26.250 -32.906 7 HG2 MET 1 1HG MET 1 8.025 -28.083 -32.075 8 HG3 MET 1 2HG MET 1 6.734 -26.914 -31.799 9 HE1 MET 1 3HE MET 1 8.349 -28.071 -35.978 10 HE2 MET 1 1HE MET 1 8.949 -28.744 -34.463 11 HE3 MET 1 2HE MET 1 9.272 -27.060 -34.869 12 H GLY 2 H GLY 2 8.553 -23.451 -29.986 13 HA2 GLY 2 1HA GLY 2 5.998 -23.545 -29.123 14 HA3 GLY 2 2HA GLY 2 6.858 -24.285 -27.772 15 H HIS 3 H HIS 3 9.231 -22.805 -27.825 16 HA HIS 3 HA HIS 3 10.207 -20.967 -26.947 17 HB2 HIS 3 1HB HIS 3 7.985 -19.463 -28.398 18 HB3 HIS 3 2HB HIS 3 9.363 -18.693 -27.625 19 HD1 HIS 3 HD1 HIS 3 11.000 -17.986 -29.330 20 HD2 HIS 3 HD2 HIS 3 9.175 -21.568 -30.369 21 HE1 HIS 3 HE1 HIS 3 12.006 -18.632 -31.538 22 HE2 HIS 3 HE2 HIS 3 10.898 -20.818 -32.144 23 H HIS 4 H HIS 4 9.130 -18.572 -25.761 24 HA HIS 4 HA HIS 4 7.105 -19.472 -23.840 25 HB2 HIS 4 1HB HIS 4 8.420 -18.678 -21.878 26 HB3 HIS 4 2HB HIS 4 9.184 -20.040 -22.687 27 HD1 HIS 4 HD1 HIS 4 9.685 -16.415 -21.889 28 HD2 HIS 4 HD2 HIS 4 11.669 -19.449 -23.926 29 HE1 HIS 4 HE1 HIS 4 12.023 -15.569 -22.256 30 HE2 HIS 4 HE2 HIS 4 13.182 -17.384 -23.562 31 H HIS 5 H HIS 5 5.545 -18.038 -24.149 32 HA HIS 5 HA HIS 5 6.020 -15.178 -24.486 33 HB2 HIS 5 1HB HIS 5 3.493 -16.870 -24.327 34 HB3 HIS 5 2HB HIS 5 3.418 -15.113 -24.275 35 HD1 HIS 5 HD1 HIS 5 2.430 -17.224 -26.582 36 HD2 HIS 5 HD2 HIS 5 5.568 -14.505 -26.716 37 HE1 HIS 5 HE1 HIS 5 2.760 -16.701 -29.019 38 HE2 HIS 5 HE2 HIS 5 4.552 -14.932 -29.057 39 H HIS 6 H HIS 6 4.184 -13.931 -22.963 40 HA HIS 6 HA HIS 6 3.672 -13.049 -20.969 41 HB2 HIS 6 1HB HIS 6 2.800 -15.146 -20.190 42 HB3 HIS 6 2HB HIS 6 4.404 -15.824 -19.962 43 HD1 HIS 6 HD1 HIS 6 5.598 -15.325 -17.764 44 HD2 HIS 6 HD2 HIS 6 1.929 -13.418 -18.111 45 HE1 HIS 6 HE1 HIS 6 5.062 -14.481 -15.458 46 HE2 HIS 6 HE2 HIS 6 2.934 -13.166 -15.748 47 H HIS 7 H HIS 7 5.202 -11.492 -21.203 48 HA HIS 7 HA HIS 7 7.940 -11.602 -20.447 49 HB2 HIS 7 1HB HIS 7 7.119 -9.853 -21.945 50 HB3 HIS 7 2HB HIS 7 5.957 -9.299 -20.749 51 HD1 HIS 7 HD1 HIS 7 9.507 -8.921 -21.798 52 HD2 HIS 7 HD2 HIS 7 7.064 -7.667 -18.673 53 HE1 HIS 7 HE1 HIS 7 10.768 -7.078 -20.649 54 HE2 HIS 7 HE2 HIS 7 9.290 -6.347 -18.753 55 H HIS 8 H HIS 8 5.037 -10.383 -18.864 56 HA HIS 8 HA HIS 8 5.552 -11.293 -16.271 57 HB2 HIS 8 1HB HIS 8 6.607 -8.551 -16.870 58 HB3 HIS 8 2HB HIS 8 5.515 -8.583 -15.501 59 HD1 HIS 8 HD1 HIS 8 8.963 -8.823 -16.198 60 HD2 HIS 8 HD2 HIS 8 6.407 -10.723 -13.531 61 HE1 HIS 8 HE1 HIS 8 10.442 -9.748 -14.401 62 HE2 HIS 8 HE2 HIS 8 8.857 -10.703 -12.703 63 H SER 9 H SER 9 4.224 -8.151 -17.213 64 HA SER 9 HA SER 9 1.723 -8.818 -18.143 65 HB2 SER 9 1HB SER 9 0.249 -8.180 -16.184 66 HB3 SER 9 2HB SER 9 1.107 -9.698 -15.933 67 HG SER 9 HG SER 9 1.295 -7.334 -14.544 68 H HIS 10 H HIS 10 1.109 -6.969 -19.200 69 HA HIS 10 HA HIS 10 2.260 -4.394 -18.358 70 HB2 HIS 10 1HB HIS 10 1.448 -3.501 -20.520 71 HB3 HIS 10 2HB HIS 10 2.500 -4.891 -20.730 72 HD1 HIS 10 HD1 HIS 10 -1.061 -3.787 -21.149 73 HD2 HIS 10 HD2 HIS 10 1.324 -7.082 -21.966 74 HE1 HIS 10 HE1 HIS 10 -2.401 -5.208 -22.726 75 HE2 HIS 10 HE2 HIS 10 -0.908 -7.162 -23.271 76 H MET 11 H MET 11 0.856 -4.873 -16.414 77 HA MET 11 HA MET 11 -1.390 -3.144 -16.286 78 HB2 MET 11 1HB MET 11 -3.124 -4.835 -15.674 79 HB3 MET 11 2HB MET 11 -2.596 -5.008 -17.341 80 HG2 MET 11 1HG MET 11 -1.198 -6.925 -16.715 81 HG3 MET 11 2HG MET 11 -1.693 -6.739 -15.030 82 HE1 MET 11 3HE MET 11 -1.958 -9.515 -16.586 83 HE2 MET 11 1HE MET 11 -3.568 -10.027 -16.063 84 HE3 MET 11 2HE MET 11 -2.464 -9.278 -14.909 85 H SER 12 H SER 12 0.839 -2.920 -14.961 86 HA SER 12 HA SER 12 1.254 -4.366 -12.576 87 HB2 SER 12 1HB SER 12 2.985 -2.964 -13.636 88 HB3 SER 12 2HB SER 12 2.079 -1.508 -13.220 89 HG SER 12 HG SER 12 3.783 -2.960 -11.712 90 H TRP 13 H TRP 13 0.822 -3.876 -10.352 91 HA TRP 13 HA TRP 13 -1.394 -2.061 -9.785 92 HB2 TRP 13 1HB TRP 13 -0.921 -3.040 -7.361 93 HB3 TRP 13 2HB TRP 13 -1.751 -4.016 -8.564 94 HD1 TRP 13 HD1 TRP 13 -0.838 -6.375 -8.890 95 HE1 TRP 13 HE1 TRP 13 1.300 -7.638 -8.274 96 HE3 TRP 13 HE3 TRP 13 1.936 -2.496 -6.989 97 HZ2 TRP 13 HZ2 TRP 13 3.821 -7.106 -7.178 98 HZ3 TRP 13 HZ3 TRP 13 4.217 -2.973 -6.178 99 HH2 TRP 13 HH2 TRP 13 5.134 -5.237 -6.270 100 H TYR 14 H TYR 14 1.487 -1.319 -10.523 101 HA TYR 14 HA TYR 14 2.109 0.493 -8.278 102 HB2 TYR 14 1HB TYR 14 3.966 -1.087 -8.437 103 HB3 TYR 14 2HB TYR 14 4.038 -0.918 -10.190 104 HD1 TYR 14 HD1 TYR 14 4.289 1.256 -7.115 105 HD2 TYR 14 HD2 TYR 14 5.719 0.507 -11.059 106 HE1 TYR 14 HE1 TYR 14 5.898 3.085 -6.880 107 HE2 TYR 14 HE2 TYR 14 7.338 2.339 -10.821 108 HH TYR 14 HH TYR 14 8.006 3.835 -7.830 109 H HIS 15 H HIS 15 1.651 2.591 -8.886 110 HA HIS 15 HA HIS 15 1.733 3.312 -11.748 111 HB2 HIS 15 1HB HIS 15 -0.464 4.110 -9.772 112 HB3 HIS 15 2HB HIS 15 -0.387 4.519 -11.478 113 HD1 HIS 15 HD1 HIS 15 -0.944 2.638 -13.190 114 HD2 HIS 15 HD2 HIS 15 -1.538 1.580 -9.213 115 HE1 HIS 15 HE1 HIS 15 -2.250 0.493 -13.251 116 HE2 HIS 15 HE2 HIS 15 -2.547 -0.164 -10.840 117 H ARG 16 H ARG 16 3.801 4.302 -11.198 118 HA ARG 16 HA ARG 16 3.875 6.672 -9.573 119 HB2 ARG 16 1HB ARG 16 6.048 7.105 -10.570 120 HB3 ARG 16 2HB ARG 16 5.936 5.378 -10.234 121 HG2 ARG 16 1HG ARG 16 5.444 4.939 -12.610 122 HG3 ARG 16 2HG ARG 16 5.528 6.671 -12.947 123 HD2 ARG 16 1HD ARG 16 7.911 6.664 -12.218 124 HD3 ARG 16 2HD ARG 16 7.797 4.919 -11.962 125 HE ARG 16 HE ARG 16 7.019 5.593 -14.607 126 HH11 ARG 16 1HH1 ARG 16 9.916 5.221 -12.641 127 HH12 ARG 16 2HH1 ARG 16 10.920 4.833 -13.999 128 HH21 ARG 16 1HH2 ARG 16 8.320 5.079 -16.348 129 HH22 ARG 16 2HH2 ARG 16 10.009 4.764 -16.116 130 H ASP 17 H ASP 17 4.146 8.965 -10.557 131 HA ASP 17 HA ASP 17 3.297 10.690 -11.657 132 HB2 ASP 17 1HB ASP 17 4.568 9.627 -13.558 133 HB3 ASP 17 2HB ASP 17 3.099 8.797 -14.036 134 H LEU 18 H LEU 18 1.603 8.810 -10.224 135 HA LEU 18 HA LEU 18 -1.071 9.689 -11.128 136 HB2 LEU 18 1HB LEU 18 -0.828 7.324 -11.717 137 HB3 LEU 18 2HB LEU 18 -0.241 6.923 -10.118 138 HG LEU 18 HG LEU 18 -3.026 8.071 -10.288 139 HD11 LEU 18 1HD1 LEU 18 -3.052 6.501 -12.164 140 HD12 LEU 18 2HD1 LEU 18 -4.043 5.921 -10.826 141 HD13 LEU 18 3HD1 LEU 18 -2.452 5.209 -11.112 142 HD21 LEU 18 3HD2 LEU 18 -3.477 6.442 -8.488 143 HD22 LEU 18 1HD2 LEU 18 -2.112 7.482 -8.087 144 HD23 LEU 18 2HD2 LEU 18 -1.830 5.822 -8.621 145 H SER 19 H SER 19 -2.090 10.792 -9.456 146 HA SER 19 HA SER 19 -0.507 11.353 -7.081 147 HB2 SER 19 1HB SER 19 -2.334 13.038 -6.624 148 HB3 SER 19 2HB SER 19 -1.587 13.220 -8.205 149 HG SER 19 HG SER 19 -3.355 12.274 -9.150 150 H ARG 20 H ARG 20 -1.494 11.272 -4.839 151 HA ARG 20 HA ARG 20 -2.665 8.740 -4.292 152 HB2 ARG 20 1HB ARG 20 -2.703 9.342 -1.977 153 HB3 ARG 20 2HB ARG 20 -1.243 10.048 -2.659 154 HG2 ARG 20 1HG ARG 20 -2.223 12.258 -2.662 155 HG3 ARG 20 2HG ARG 20 -3.805 11.620 -2.212 156 HD2 ARG 20 1HD ARG 20 -2.851 10.891 -0.034 157 HD3 ARG 20 2HD ARG 20 -1.309 11.623 -0.490 158 HE ARG 20 HE ARG 20 -2.574 13.781 -0.645 159 HH11 ARG 20 1HH1 ARG 20 -3.790 11.239 1.468 160 HH12 ARG 20 2HH1 ARG 20 -4.554 12.354 2.556 161 HH21 ARG 20 1HH2 ARG 20 -3.556 15.220 0.819 162 HH22 ARG 20 2HH2 ARG 20 -4.412 14.603 2.198 163 H ALA 21 H ALA 21 -4.045 11.980 -4.580 164 HA ALA 21 HA ALA 21 -6.700 11.535 -3.864 165 HB1 ALA 21 3HB ALA 21 -5.630 13.337 -6.066 166 HB2 ALA 21 1HB ALA 21 -5.776 13.763 -4.358 167 HB3 ALA 21 2HB ALA 21 -7.225 13.466 -5.319 168 H ALA 22 H ALA 22 -5.118 11.140 -7.042 169 HA ALA 22 HA ALA 22 -7.349 10.053 -8.443 170 HB1 ALA 22 3HB ALA 22 -4.385 9.765 -9.046 171 HB2 ALA 22 1HB ALA 22 -5.436 11.071 -9.596 172 HB3 ALA 22 2HB ALA 22 -5.707 9.427 -10.169 173 H ALA 23 H ALA 23 -4.835 8.609 -6.457 174 HA ALA 23 HA ALA 23 -5.114 5.899 -7.228 175 HB1 ALA 23 3HB ALA 23 -4.126 7.000 -4.561 176 HB2 ALA 23 1HB ALA 23 -3.136 6.739 -6.000 177 HB3 ALA 23 2HB ALA 23 -3.869 5.364 -5.177 178 H GLU 24 H GLU 24 -6.231 7.462 -4.189 179 HA GLU 24 HA GLU 24 -7.829 5.328 -3.293 180 HB2 GLU 24 1HB GLU 24 -8.743 6.936 -1.663 181 HB3 GLU 24 2HB GLU 24 -6.992 7.084 -1.795 182 HG2 GLU 24 1HG GLU 24 -7.259 9.085 -3.218 183 HG3 GLU 24 2HG GLU 24 -9.014 8.936 -3.108 184 H GLU 25 H GLU 25 -8.556 8.000 -5.423 185 HA GLU 25 HA GLU 25 -11.402 7.742 -5.457 186 HB2 GLU 25 1HB GLU 25 -10.129 9.728 -6.328 187 HB3 GLU 25 2HB GLU 25 -9.599 8.743 -7.686 188 HG2 GLU 25 1HG GLU 25 -11.450 10.174 -8.355 189 HG3 GLU 25 2HG GLU 25 -11.929 8.483 -8.429 190 H LEU 26 H LEU 26 -8.846 6.554 -7.621 191 HA LEU 26 HA LEU 26 -10.370 4.999 -9.376 192 HB2 LEU 26 1HB LEU 26 -7.922 5.732 -9.564 193 HB3 LEU 26 2HB LEU 26 -7.508 4.424 -8.482 194 HG LEU 26 HG LEU 26 -7.089 4.078 -10.987 195 HD11 LEU 26 1HD1 LEU 26 -7.007 2.213 -9.439 196 HD12 LEU 26 2HD1 LEU 26 -7.678 1.724 -10.995 197 HD13 LEU 26 3HD1 LEU 26 -8.749 1.963 -9.608 198 HD21 LEU 26 3HD2 LEU 26 -8.955 3.386 -12.392 199 HD22 LEU 26 1HD2 LEU 26 -9.174 5.038 -11.818 200 HD23 LEU 26 2HD2 LEU 26 -10.094 3.721 -11.085 201 H LEU 27 H LEU 27 -8.927 4.208 -6.238 202 HA LEU 27 HA LEU 27 -9.533 1.438 -6.145 203 HB2 LEU 27 1HB LEU 27 -9.006 3.487 -3.948 204 HB3 LEU 27 2HB LEU 27 -9.208 1.779 -3.612 205 HG LEU 27 HG LEU 27 -6.977 3.016 -5.271 206 HD11 LEU 27 1HD1 LEU 27 -5.497 2.353 -3.433 207 HD12 LEU 27 2HD1 LEU 27 -6.889 1.791 -2.499 208 HD13 LEU 27 3HD1 LEU 27 -6.725 3.503 -2.910 209 HD21 LEU 27 3HD2 LEU 27 -7.377 0.100 -4.532 210 HD22 LEU 27 1HD2 LEU 27 -5.962 0.780 -5.342 211 HD23 LEU 27 2HD2 LEU 27 -7.528 0.801 -6.145 212 H ALA 28 H ALA 28 -11.220 4.354 -4.937 213 HA ALA 28 HA ALA 28 -13.319 3.063 -3.537 214 HB1 ALA 28 3HB ALA 28 -12.658 5.401 -3.103 215 HB2 ALA 28 1HB ALA 28 -14.392 5.275 -3.429 216 HB3 ALA 28 2HB ALA 28 -13.295 5.876 -4.677 217 H ARG 29 H ARG 29 -13.009 4.017 -6.880 218 HA ARG 29 HA ARG 29 -15.787 3.574 -7.581 219 HB2 ARG 29 1HB ARG 29 -13.262 4.118 -9.191 220 HB3 ARG 29 2HB ARG 29 -14.850 3.947 -9.932 221 HG2 ARG 29 1HG ARG 29 -15.650 5.965 -9.021 222 HG3 ARG 29 2HG ARG 29 -14.436 5.987 -7.739 223 HD2 ARG 29 1HD ARG 29 -14.043 7.710 -9.483 224 HD3 ARG 29 2HD ARG 29 -12.699 6.582 -9.314 225 HE ARG 29 HE ARG 29 -13.513 5.470 -11.341 226 HH11 ARG 29 1HH1 ARG 29 -14.724 8.709 -10.813 227 HH12 ARG 29 2HH1 ARG 29 -14.863 9.064 -12.506 228 HH21 ARG 29 1HH2 ARG 29 -13.665 5.923 -13.543 229 HH22 ARG 29 2HH2 ARG 29 -14.248 7.473 -14.071 230 H ALA 30 H ALA 30 -12.720 1.799 -7.719 231 HA ALA 30 HA ALA 30 -13.757 -0.189 -9.593 232 HB1 ALA 30 3HB ALA 30 -11.014 0.103 -8.334 233 HB2 ALA 30 1HB ALA 30 -11.524 0.758 -9.889 234 HB3 ALA 30 2HB ALA 30 -11.446 -0.987 -9.657 235 H GLY 31 H GLY 31 -12.046 -0.474 -6.379 236 HA2 GLY 31 1HA GLY 31 -13.206 -3.182 -6.092 237 HA3 GLY 31 2HA GLY 31 -11.691 -2.630 -5.400 238 H ARG 32 H ARG 32 -12.486 -0.182 -4.348 239 HA ARG 32 HA ARG 32 -13.318 0.874 -2.536 240 HB2 ARG 32 1HB ARG 32 -15.196 0.800 -4.147 241 HB3 ARG 32 2HB ARG 32 -15.780 -0.681 -3.409 242 HG2 ARG 32 1HG ARG 32 -16.410 0.512 -1.387 243 HG3 ARG 32 2HG ARG 32 -15.653 1.998 -1.982 244 HD2 ARG 32 1HD ARG 32 -18.186 1.888 -2.217 245 HD3 ARG 32 2HD ARG 32 -17.308 2.262 -3.699 246 HE ARG 32 HE ARG 32 -17.648 -0.047 -4.394 247 HH11 ARG 32 1HH1 ARG 32 -19.748 0.991 -1.772 248 HH12 ARG 32 2HH1 ARG 32 -20.999 -0.138 -2.183 249 HH21 ARG 32 1HH2 ARG 32 -19.272 -1.509 -4.910 250 HH22 ARG 32 2HH2 ARG 32 -20.731 -1.559 -3.971 251 H ASP 33 H ASP 33 -12.079 -1.866 -1.865 252 HA ASP 33 HA ASP 33 -12.906 -2.391 0.744 253 HB2 ASP 33 1HB ASP 33 -15.060 -3.066 -0.305 254 HB3 ASP 33 2HB ASP 33 -14.213 -4.221 -1.331 255 H GLY 34 H GLY 34 -10.684 -2.698 1.063 256 HA2 GLY 34 1HA GLY 34 -8.813 -4.022 1.426 257 HA3 GLY 34 2HA GLY 34 -9.618 -5.353 0.604 258 H SER 35 H SER 35 -9.415 -2.268 -0.935 259 HA SER 35 HA SER 35 -7.983 -3.408 -3.190 260 HB2 SER 35 1HB SER 35 -9.316 -0.684 -2.929 261 HB3 SER 35 2HB SER 35 -8.877 -1.526 -4.430 262 HG SER 35 HG SER 35 -10.352 -3.245 -3.453 263 H PHE 36 H PHE 36 -5.844 -3.036 -3.516 264 HA PHE 36 HA PHE 36 -4.583 -0.725 -2.137 265 HB2 PHE 36 1HB PHE 36 -2.672 -2.111 -1.505 266 HB3 PHE 36 2HB PHE 36 -4.146 -2.824 -0.864 267 HD1 PHE 36 HD1 PHE 36 -5.090 -4.915 -1.955 268 HD2 PHE 36 HD2 PHE 36 -1.259 -3.351 -3.061 269 HE1 PHE 36 HE1 PHE 36 -4.497 -7.063 -2.989 270 HE2 PHE 36 HE2 PHE 36 -0.687 -5.511 -4.091 271 HZ PHE 36 HZ PHE 36 -2.301 -7.365 -4.052 272 H LEU 37 H LEU 37 -2.661 0.058 -3.092 273 HA LEU 37 HA LEU 37 -1.506 -1.252 -5.375 274 HB2 LEU 37 1HB LEU 37 -1.570 0.800 -6.845 275 HB3 LEU 37 2HB LEU 37 -3.114 0.013 -6.608 276 HG LEU 37 HG LEU 37 -3.634 1.858 -4.871 277 HD11 LEU 37 1HD1 LEU 37 -1.304 3.251 -6.214 278 HD12 LEU 37 2HD1 LEU 37 -1.420 2.775 -4.518 279 HD13 LEU 37 3HD1 LEU 37 -2.499 4.012 -5.157 280 HD21 LEU 37 3HD2 LEU 37 -3.389 2.640 -7.797 281 HD22 LEU 37 1HD2 LEU 37 -4.429 3.413 -6.593 282 HD23 LEU 37 2HD2 LEU 37 -4.719 1.739 -7.063 283 H VAL 38 H VAL 38 0.494 -0.141 -6.022 284 HA VAL 38 HA VAL 38 1.795 1.379 -3.861 285 HB VAL 38 HB VAL 38 3.210 -0.376 -5.940 286 HG11 VAL 38 1HG1 VAL 38 5.209 -0.083 -4.469 287 HG12 VAL 38 2HG1 VAL 38 4.264 0.963 -3.406 288 HG13 VAL 38 3HG1 VAL 38 4.612 1.473 -5.059 289 HG21 VAL 38 3HG2 VAL 38 3.615 -2.015 -4.115 290 HG22 VAL 38 1HG2 VAL 38 1.888 -1.830 -4.435 291 HG23 VAL 38 2HG2 VAL 38 2.615 -1.050 -3.029 292 H ARG 39 H ARG 39 3.191 3.084 -4.708 293 HA ARG 39 HA ARG 39 2.985 3.931 -7.452 294 HB2 ARG 39 1HB ARG 39 1.831 6.113 -6.889 295 HB3 ARG 39 2HB ARG 39 0.791 4.699 -6.779 296 HG2 ARG 39 1HG ARG 39 0.941 4.719 -4.343 297 HG3 ARG 39 2HG ARG 39 2.096 6.054 -4.390 298 HD2 ARG 39 1HD ARG 39 -0.794 6.169 -5.338 299 HD3 ARG 39 2HD ARG 39 -0.160 6.873 -3.843 300 HE ARG 39 HE ARG 39 0.412 7.775 -6.590 301 HH11 ARG 39 1HH1 ARG 39 0.568 8.420 -3.150 302 HH12 ARG 39 2HH1 ARG 39 1.194 10.015 -3.358 303 HH21 ARG 39 1HH2 ARG 39 1.244 9.850 -6.858 304 HH22 ARG 39 2HH2 ARG 39 1.563 10.839 -5.476 305 H ASP 40 H ASP 40 3.870 6.372 -7.470 306 HA ASP 40 HA ASP 40 6.320 6.424 -5.851 307 HB2 ASP 40 1HB ASP 40 6.536 6.934 -8.250 308 HB3 ASP 40 2HB ASP 40 5.356 8.235 -8.115 309 H SER 41 H SER 41 6.368 7.518 -3.981 310 HA SER 41 HA SER 41 4.338 9.068 -2.874 311 HB2 SER 41 1HB SER 41 7.314 9.075 -2.232 312 HB3 SER 41 2HB SER 41 6.058 9.775 -1.206 313 HG SER 41 HG SER 41 6.899 7.300 -1.208 314 H GLU 42 H GLU 42 4.240 11.374 -2.465 315 HA GLU 42 HA GLU 42 4.404 12.645 -5.041 316 HB2 GLU 42 1HB GLU 42 3.150 13.636 -2.447 317 HB3 GLU 42 2HB GLU 42 2.870 14.298 -4.059 318 HG2 GLU 42 1HG GLU 42 1.897 12.159 -4.785 319 HG3 GLU 42 2HG GLU 42 2.208 11.467 -3.197 320 H SER 43 H SER 43 6.576 13.021 -5.303 321 HA SER 43 HA SER 43 8.334 14.356 -5.611 322 HB2 SER 43 1HB SER 43 6.588 16.153 -5.815 323 HB3 SER 43 2HB SER 43 6.797 16.505 -4.095 324 HG SER 43 HG SER 43 9.006 16.983 -4.569 325 H VAL 44 H VAL 44 8.157 12.621 -3.279 326 HA VAL 44 HA VAL 44 9.356 13.888 -1.015 327 HB VAL 44 HB VAL 44 9.062 10.920 -1.634 328 HG11 VAL 44 1HG1 VAL 44 10.933 11.243 -0.038 329 HG12 VAL 44 2HG1 VAL 44 9.549 10.497 0.765 330 HG13 VAL 44 3HG1 VAL 44 9.889 12.212 1.006 331 HG21 VAL 44 3HG2 VAL 44 7.179 11.027 -0.014 332 HG22 VAL 44 1HG2 VAL 44 6.916 12.103 -1.392 333 HG23 VAL 44 2HG2 VAL 44 7.437 12.766 0.162 334 H ALA 45 H ALA 45 10.805 11.210 -3.005 335 HA ALA 45 HA ALA 45 13.216 12.557 -3.626 336 HB1 ALA 45 3HB ALA 45 14.748 11.366 -2.099 337 HB2 ALA 45 1HB ALA 45 13.371 10.617 -1.288 338 HB3 ALA 45 2HB ALA 45 13.614 12.364 -1.185 339 H GLY 46 H GLY 46 11.372 10.935 -5.065 340 HA2 GLY 46 1HA GLY 46 11.155 9.106 -6.417 341 HA3 GLY 46 2HA GLY 46 12.839 8.732 -6.103 342 H ALA 47 H ALA 47 10.188 8.979 -3.794 343 HA ALA 47 HA ALA 47 10.912 6.378 -2.630 344 HB1 ALA 47 3HB ALA 47 9.083 8.588 -1.611 345 HB2 ALA 47 1HB ALA 47 10.774 8.341 -1.153 346 HB3 ALA 47 2HB ALA 47 9.558 7.147 -0.711 347 H PHE 48 H PHE 48 9.097 4.927 -1.886 348 HA PHE 48 HA PHE 48 6.965 4.728 -3.940 349 HB2 PHE 48 1HB PHE 48 7.996 2.636 -1.951 350 HB3 PHE 48 2HB PHE 48 6.744 2.360 -3.153 351 HD1 PHE 48 HD1 PHE 48 7.336 2.370 -5.600 352 HD2 PHE 48 HD2 PHE 48 10.339 2.473 -2.556 353 HE1 PHE 48 HE1 PHE 48 9.025 1.650 -7.233 354 HE2 PHE 48 HE2 PHE 48 12.019 1.768 -4.204 355 HZ PHE 48 HZ PHE 48 11.365 1.354 -6.540 356 H ALA 49 H ALA 49 4.774 4.580 -3.248 357 HA ALA 49 HA ALA 49 4.177 4.745 -0.348 358 HB1 ALA 49 3HB ALA 49 2.707 6.182 -2.603 359 HB2 ALA 49 1HB ALA 49 3.778 6.940 -1.422 360 HB3 ALA 49 2HB ALA 49 2.261 6.213 -0.892 361 H LEU 50 H LEU 50 2.557 3.416 0.349 362 HA LEU 50 HA LEU 50 1.337 1.521 -1.588 363 HB2 LEU 50 1HB LEU 50 2.930 0.368 -0.102 364 HB3 LEU 50 2HB LEU 50 2.186 1.088 1.314 365 HG LEU 50 HG LEU 50 0.101 -0.230 0.873 366 HD11 LEU 50 1HD1 LEU 50 0.094 -2.088 -0.728 367 HD12 LEU 50 2HD1 LEU 50 1.668 -1.572 -1.343 368 HD13 LEU 50 3HD1 LEU 50 0.256 -0.530 -1.534 369 HD21 LEU 50 3HD2 LEU 50 2.598 -1.928 1.141 370 HD22 LEU 50 1HD2 LEU 50 0.960 -2.407 1.602 371 HD23 LEU 50 2HD2 LEU 50 1.761 -1.085 2.446 372 H CYS 51 H CYS 51 -0.692 2.245 -1.892 373 HA CYS 51 HA CYS 51 -2.175 3.590 0.283 374 HB2 CYS 51 1HB CYS 51 -2.657 3.741 -2.734 375 HB3 CYS 51 2HB CYS 51 -3.452 4.710 -1.492 376 HG CYS 51 HG CYS 51 -0.120 4.926 -1.530 377 H VAL 52 H VAL 52 -3.668 2.335 1.179 378 HA VAL 52 HA VAL 52 -4.898 0.080 -0.299 379 HB VAL 52 HB VAL 52 -4.324 0.096 2.715 380 HG11 VAL 52 1HG1 VAL 52 -5.139 -2.195 0.874 381 HG12 VAL 52 2HG1 VAL 52 -6.182 -1.389 2.050 382 HG13 VAL 52 3HG1 VAL 52 -4.800 -2.338 2.601 383 HG21 VAL 52 3HG2 VAL 52 -2.144 0.112 1.570 384 HG22 VAL 52 1HG2 VAL 52 -2.635 -1.266 0.578 385 HG23 VAL 52 2HG2 VAL 52 -2.437 -1.459 2.321 386 H LEU 53 H LEU 53 -7.142 -0.102 0.030 387 HA LEU 53 HA LEU 53 -8.496 2.014 1.585 388 HB2 LEU 53 1HB LEU 53 -8.558 2.595 -0.812 389 HB3 LEU 53 2HB LEU 53 -9.166 0.996 -1.214 390 HG LEU 53 HG LEU 53 -11.240 1.543 0.190 391 HD11 LEU 53 1HD1 LEU 53 -11.790 3.880 0.621 392 HD12 LEU 53 2HD1 LEU 53 -10.191 4.375 0.059 393 HD13 LEU 53 3HD1 LEU 53 -10.353 3.388 1.511 394 HD21 LEU 53 3HD2 LEU 53 -11.288 1.563 -2.237 395 HD22 LEU 53 1HD2 LEU 53 -10.777 3.253 -2.249 396 HD23 LEU 53 2HD2 LEU 53 -12.342 2.803 -1.561 397 H TYR 54 H TYR 54 -10.338 1.398 2.603 398 HA TYR 54 HA TYR 54 -11.673 -1.111 2.068 399 HB2 TYR 54 1HB TYR 54 -9.835 -1.729 3.701 400 HB3 TYR 54 2HB TYR 54 -10.517 -0.589 4.854 401 HD1 TYR 54 HD2 TYR 54 -11.194 -3.728 2.990 402 HD2 TYR 54 HD1 TYR 54 -12.420 -1.227 6.234 403 HE1 TYR 54 HE2 TYR 54 -12.684 -5.489 3.790 404 HE2 TYR 54 HE1 TYR 54 -13.923 -3.002 7.027 405 HH TYR 54 HH TYR 54 -15.102 -4.982 6.095 406 H GLN 55 H GLN 55 -13.659 -0.292 1.841 407 HA GLN 55 HA GLN 55 -15.541 0.977 2.025 408 HB2 GLN 55 1HB GLN 55 -15.063 0.263 4.944 409 HB3 GLN 55 2HB GLN 55 -16.603 0.827 4.301 410 HG2 GLN 55 1HG GLN 55 -15.174 -1.725 3.511 411 HG3 GLN 55 2HG GLN 55 -16.551 -1.609 4.605 412 HE21 GLN 55 2HE2 GLN 55 -16.317 -3.119 2.106 413 HE22 GLN 55 1HE2 GLN 55 -17.585 -2.543 1.080 414 H LYS 56 H LYS 56 -14.378 2.917 1.311 415 HA LYS 56 HA LYS 56 -13.781 5.086 1.324 416 HB2 LYS 56 1HB LYS 56 -15.762 5.226 3.634 417 HB3 LYS 56 2HB LYS 56 -15.189 6.615 2.711 418 HG2 LYS 56 1HG LYS 56 -16.248 5.687 0.672 419 HG3 LYS 56 2HG LYS 56 -16.809 4.298 1.615 420 HD2 LYS 56 1HD LYS 56 -18.150 5.817 3.060 421 HD3 LYS 56 2HD LYS 56 -17.603 7.201 2.108 422 HE2 LYS 56 1HE LYS 56 -18.706 6.201 0.100 423 HE3 LYS 56 2HE LYS 56 -19.318 4.888 1.110 424 HZ1 LYS 56 3HZ LYS 56 -20.523 6.526 2.418 425 HZ2 LYS 56 1HZ LYS 56 -20.967 6.594 0.790 426 HZ3 LYS 56 2HZ LYS 56 -19.943 7.772 1.434 427 H HIS 57 H HIS 57 -12.190 3.297 3.212 428 HA HIS 57 HA HIS 57 -10.974 5.455 4.870 429 HB2 HIS 57 1HB HIS 57 -12.221 3.795 6.300 430 HB3 HIS 57 2HB HIS 57 -11.141 2.533 5.726 431 HD1 HIS 57 HD1 HIS 57 -10.413 2.189 8.226 432 HD2 HIS 57 HD2 HIS 57 -9.428 5.906 6.652 433 HE1 HIS 57 HE1 HIS 57 -8.761 3.182 9.838 434 HE2 HIS 57 HE2 HIS 57 -8.211 5.444 8.888 435 H VAL 58 H VAL 58 -9.142 5.949 3.952 436 HA VAL 58 HA VAL 58 -7.520 4.002 2.469 437 HB VAL 58 HB VAL 58 -7.164 7.039 2.638 438 HG11 VAL 58 1HG1 VAL 58 -6.012 5.035 0.659 439 HG12 VAL 58 2HG1 VAL 58 -5.109 5.870 1.922 440 HG13 VAL 58 3HG1 VAL 58 -5.798 6.788 0.580 441 HG21 VAL 58 3HG2 VAL 58 -8.593 5.428 0.493 442 HG22 VAL 58 1HG2 VAL 58 -8.300 7.172 0.456 443 HG23 VAL 58 2HG2 VAL 58 -9.373 6.483 1.679 444 H HIS 59 H HIS 59 -5.373 3.713 2.902 445 HA HIS 59 HA HIS 59 -4.058 4.915 5.211 446 HB2 HIS 59 1HB HIS 59 -4.988 2.127 5.270 447 HB3 HIS 59 2HB HIS 59 -3.232 2.154 5.329 448 HD1 HIS 59 HD1 HIS 59 -2.410 2.153 7.658 449 HD2 HIS 59 HD2 HIS 59 -6.008 4.208 7.330 450 HE1 HIS 59 HE1 HIS 59 -2.938 2.947 9.979 451 HE2 HIS 59 HE2 HIS 59 -5.123 4.186 9.761 452 H THR 60 H THR 60 -2.221 5.761 4.359 453 HA THR 60 HA THR 60 -1.008 4.520 1.956 454 HB THR 60 HB THR 60 -0.047 6.797 1.478 455 HG1 THR 60 HG1 THR 60 -0.030 8.014 3.248 456 HG21 THR 60 3HG2 THR 60 -2.194 6.167 0.388 457 HG22 THR 60 1HG2 THR 60 -2.114 7.901 0.720 458 HG23 THR 60 2HG2 THR 60 -3.075 6.849 1.759 459 H TYR 61 H TYR 61 1.168 4.014 2.065 460 HA TYR 61 HA TYR 61 2.636 4.578 4.577 461 HB2 TYR 61 1HB TYR 61 2.846 1.968 2.993 462 HB3 TYR 61 2HB TYR 61 3.551 2.327 4.566 463 HD1 TYR 61 HD1 TYR 61 1.933 2.731 6.542 464 HD2 TYR 61 HD2 TYR 61 0.678 0.962 2.868 465 HE1 TYR 61 HE1 TYR 61 -0.053 1.827 7.657 466 HE2 TYR 61 HE2 TYR 61 -1.307 0.062 3.984 467 HH TYR 61 HH TYR 61 -1.988 -0.534 6.296 468 H ARG 62 H ARG 62 3.998 6.173 3.799 469 HA ARG 62 HA ARG 62 5.205 6.034 1.177 470 HB2 ARG 62 1HB ARG 62 5.774 7.910 3.503 471 HB3 ARG 62 2HB ARG 62 6.427 8.092 1.875 472 HG2 ARG 62 1HG ARG 62 4.310 8.650 0.956 473 HG3 ARG 62 2HG ARG 62 3.436 8.052 2.372 474 HD2 ARG 62 1HD ARG 62 5.208 10.526 2.261 475 HD3 ARG 62 2HD ARG 62 3.439 10.501 2.359 476 HE ARG 62 HE ARG 62 4.486 9.031 4.518 477 HH11 ARG 62 1HH1 ARG 62 4.217 12.381 3.525 478 HH12 ARG 62 2HH1 ARG 62 4.372 12.983 5.144 479 HH21 ARG 62 1HH2 ARG 62 4.688 9.818 6.595 480 HH22 ARG 62 2HH2 ARG 62 4.640 11.525 6.892 481 H ILE 63 H ILE 63 6.324 4.037 1.270 482 HA ILE 63 HA ILE 63 8.484 3.408 2.827 483 HB ILE 63 HB ILE 63 8.105 2.796 -0.144 484 HG12 ILE 63 1HG1 ILE 63 6.925 1.186 2.165 485 HG13 ILE 63 2HG1 ILE 63 5.998 2.309 1.181 486 HG21 ILE 63 1HG2 ILE 63 9.491 1.185 2.021 487 HG22 ILE 63 2HG2 ILE 63 10.283 2.115 0.746 488 HG23 ILE 63 3HG2 ILE 63 9.303 0.710 0.329 489 HD11 ILE 63 3HD1 ILE 63 5.632 0.035 0.455 490 HD12 ILE 63 1HD1 ILE 63 7.360 -0.199 0.202 491 HD13 ILE 63 2HD1 ILE 63 6.464 0.936 -0.812 492 H LEU 64 H LEU 64 10.506 4.133 2.880 493 HA LEU 64 HA LEU 64 11.569 6.073 0.970 494 HB2 LEU 64 1HB LEU 64 12.868 4.869 3.464 495 HB3 LEU 64 2HB LEU 64 13.508 6.202 2.523 496 HG LEU 64 HG LEU 64 12.587 7.224 4.423 497 HD11 LEU 64 1HD1 LEU 64 10.740 8.600 3.654 498 HD12 LEU 64 2HD1 LEU 64 10.431 7.485 2.320 499 HD13 LEU 64 3HD1 LEU 64 11.946 8.385 2.387 500 HD21 LEU 64 3HD2 LEU 64 10.399 6.787 5.399 501 HD22 LEU 64 1HD2 LEU 64 11.353 5.309 5.326 502 HD23 LEU 64 2HD2 LEU 64 10.052 5.575 4.161 503 HA PRO 65 HA PRO 65 12.763 2.827 -1.538 504 HB2 PRO 65 1HB PRO 65 13.980 4.140 -3.569 505 HB3 PRO 65 2HB PRO 65 12.295 4.448 -3.131 506 HG2 PRO 65 1HG PRO 65 14.737 6.087 -2.525 507 HG3 PRO 65 2HG PRO 65 13.093 6.625 -2.926 508 HD2 PRO 65 1HD PRO 65 14.170 6.440 -0.323 509 HD3 PRO 65 2HD PRO 65 12.448 6.603 -0.720 510 H ASP 66 H ASP 66 15.857 4.693 -1.914 511 HA ASP 66 HA ASP 66 17.422 2.301 -1.323 512 HB2 ASP 66 1HB ASP 66 16.548 1.883 -3.633 513 HB3 ASP 66 2HB ASP 66 17.223 3.413 -4.166 514 H GLY 67 H GLY 67 19.730 2.689 -1.712 515 HA2 GLY 67 1HA GLY 67 21.449 4.605 -1.898 516 HA3 GLY 67 2HA GLY 67 20.457 5.352 -0.625 517 H GLU 68 H GLU 68 19.787 3.563 1.075 518 HA GLU 68 HA GLU 68 21.770 1.969 2.226 519 HB2 GLU 68 1HB GLU 68 18.737 1.581 2.171 520 HB3 GLU 68 2HB GLU 68 19.827 0.822 3.326 521 HG2 GLU 68 1HG GLU 68 19.327 3.796 3.047 522 HG3 GLU 68 2HG GLU 68 18.622 2.757 4.286 523 H ASP 69 H ASP 69 20.178 -0.566 2.224 524 HA ASP 69 HA ASP 69 20.832 -1.681 -0.457 525 HB2 ASP 69 1HB ASP 69 22.218 -2.671 1.334 526 HB3 ASP 69 2HB ASP 69 20.777 -3.080 2.262 527 H PHE 70 H PHE 70 18.380 -1.045 1.835 528 HA PHE 70 HA PHE 70 16.366 -2.727 0.499 529 HB2 PHE 70 1HB PHE 70 15.450 -3.087 2.932 530 HB3 PHE 70 2HB PHE 70 16.808 -4.058 2.382 531 HD1 PHE 70 HD1 PHE 70 16.085 -0.900 4.312 532 HD2 PHE 70 HD2 PHE 70 18.742 -4.194 3.729 533 HE1 PHE 70 HE1 PHE 70 17.383 -0.214 6.275 534 HE2 PHE 70 HE2 PHE 70 20.030 -3.491 5.701 535 HZ PHE 70 HZ PHE 70 19.347 -1.507 6.980 536 H LEU 71 H LEU 71 14.156 -2.072 1.042 537 HA LEU 71 HA LEU 71 13.849 0.870 1.211 538 HB2 LEU 71 1HB LEU 71 11.621 0.523 0.117 539 HB3 LEU 71 2HB LEU 71 12.991 0.119 -0.887 540 HG LEU 71 HG LEU 71 11.631 -2.154 0.577 541 HD11 LEU 71 1HD1 LEU 71 9.958 -2.438 -1.183 542 HD12 LEU 71 2HD1 LEU 71 10.454 -0.916 -1.929 543 HD13 LEU 71 3HD1 LEU 71 9.721 -0.919 -0.324 544 HD21 LEU 71 3HD2 LEU 71 13.641 -2.606 -0.770 545 HD22 LEU 71 1HD2 LEU 71 12.850 -1.945 -2.202 546 HD23 LEU 71 2HD2 LEU 71 12.234 -3.419 -1.449 547 H ALA 72 H ALA 72 12.616 1.773 2.824 548 HA ALA 72 HA ALA 72 11.723 -0.039 4.986 549 HB1 ALA 72 3HB ALA 72 12.155 1.843 6.505 550 HB2 ALA 72 1HB ALA 72 12.562 2.877 5.129 551 HB3 ALA 72 2HB ALA 72 13.578 1.490 5.523 552 H VAL 73 H VAL 73 9.635 -0.343 5.105 553 HA VAL 73 HA VAL 73 7.629 1.582 4.196 554 HB VAL 73 HB VAL 73 7.159 -1.071 5.645 555 HG11 VAL 73 1HG1 VAL 73 5.301 0.530 3.820 556 HG12 VAL 73 2HG1 VAL 73 5.156 0.378 5.573 557 HG13 VAL 73 3HG1 VAL 73 4.932 -1.039 4.546 558 HG21 VAL 73 3HG2 VAL 73 6.926 -2.130 3.447 559 HG22 VAL 73 1HG2 VAL 73 8.553 -1.491 3.682 560 HG23 VAL 73 2HG2 VAL 73 7.404 -0.628 2.656 561 H GLN 74 H GLN 74 6.277 2.800 5.588 562 HA GLN 74 HA GLN 74 6.987 2.822 8.458 563 HB2 GLN 74 1HB GLN 74 5.500 4.921 6.799 564 HB3 GLN 74 2HB GLN 74 5.987 5.081 8.481 565 HG2 GLN 74 1HG GLN 74 7.802 4.969 6.054 566 HG3 GLN 74 2HG GLN 74 7.491 6.366 7.083 567 HE21 GLN 74 2HE2 GLN 74 9.256 3.386 6.737 568 HE22 GLN 74 1HE2 GLN 74 10.275 3.578 8.116 569 H THR 75 H THR 75 5.705 1.165 9.261 570 HA THR 75 HA THR 75 3.288 0.410 7.978 571 HB THR 75 HB THR 75 4.388 -0.661 10.608 572 HG1 THR 75 HG1 THR 75 5.144 -1.169 7.915 573 HG21 THR 75 3HG2 THR 75 2.100 -1.453 10.061 574 HG22 THR 75 1HG2 THR 75 3.279 -2.763 9.929 575 HG23 THR 75 2HG2 THR 75 2.660 -1.984 8.470 576 H SER 76 H SER 76 3.816 1.276 11.476 577 HA SER 76 HA SER 76 1.604 3.061 11.622 578 HB2 SER 76 1HB SER 76 0.361 0.869 11.384 579 HB3 SER 76 2HB SER 76 1.081 0.342 12.909 580 HG SER 76 HG SER 76 -1.068 1.892 12.494 581 H GLN 77 H GLN 77 0.920 3.171 14.197 582 HA GLN 77 HA GLN 77 3.086 4.649 15.219 583 HB2 GLN 77 1HB GLN 77 0.547 3.788 16.645 584 HB3 GLN 77 2HB GLN 77 1.640 5.053 17.199 585 HG2 GLN 77 1HG GLN 77 1.123 6.379 15.188 586 HG3 GLN 77 2HG GLN 77 0.022 5.117 14.629 587 HE21 GLN 77 2HE2 GLN 77 -0.581 7.904 15.217 588 HE22 GLN 77 1HE2 GLN 77 -1.784 7.905 16.457 589 H GLY 78 H GLY 78 1.972 1.401 16.125 590 HA2 GLY 78 1HA GLY 78 4.194 1.145 18.076 591 HA3 GLY 78 2HA GLY 78 2.542 0.839 18.602 592 H VAL 79 H VAL 79 3.969 -0.014 15.490 593 HA VAL 79 HA VAL 79 3.929 -2.906 16.201 594 HB VAL 79 HB VAL 79 3.404 -3.402 13.811 595 HG11 VAL 79 1HG1 VAL 79 1.010 -2.760 13.826 596 HG12 VAL 79 2HG1 VAL 79 1.329 -1.585 15.107 597 HG13 VAL 79 3HG1 VAL 79 1.537 -3.313 15.420 598 HG21 VAL 79 3HG2 VAL 79 4.326 -1.394 12.741 599 HG22 VAL 79 1HG2 VAL 79 3.076 -0.392 13.491 600 HG23 VAL 79 2HG2 VAL 79 2.635 -1.595 12.277 601 HA PRO 80 HA PRO 80 8.277 -2.897 14.907 602 HB2 PRO 80 1HB PRO 80 8.560 -5.406 13.780 603 HB3 PRO 80 2HB PRO 80 8.465 -5.127 15.527 604 HG2 PRO 80 1HG PRO 80 6.278 -5.958 13.624 605 HG3 PRO 80 2HG PRO 80 6.665 -6.611 15.231 606 HD2 PRO 80 1HD PRO 80 4.642 -4.841 14.864 607 HD3 PRO 80 2HD PRO 80 5.629 -4.820 16.344 608 H VAL 81 H VAL 81 9.219 -1.946 13.187 609 HA VAL 81 HA VAL 81 7.830 -1.748 10.616 610 HB VAL 81 HB VAL 81 10.143 -0.203 11.869 611 HG11 VAL 81 1HG1 VAL 81 10.147 1.274 9.856 612 HG12 VAL 81 2HG1 VAL 81 9.031 0.165 9.059 613 HG13 VAL 81 3HG1 VAL 81 10.658 -0.374 9.473 614 HG21 VAL 81 3HG2 VAL 81 7.336 0.657 11.064 615 HG22 VAL 81 1HG2 VAL 81 8.565 1.705 11.784 616 HG23 VAL 81 2HG2 VAL 81 7.898 0.360 12.712 617 H ARG 82 H ARG 82 8.587 -2.804 8.835 618 HA ARG 82 HA ARG 82 11.118 -4.311 9.061 619 HB2 ARG 82 1HB ARG 82 9.199 -5.831 9.381 620 HB3 ARG 82 2HB ARG 82 8.481 -5.286 7.867 621 HG2 ARG 82 1HG ARG 82 10.216 -6.330 6.564 622 HG3 ARG 82 2HG ARG 82 11.206 -6.623 7.993 623 HD2 ARG 82 1HD ARG 82 9.547 -8.241 8.815 624 HD3 ARG 82 2HD ARG 82 8.540 -7.932 7.397 625 HE ARG 82 HE ARG 82 10.676 -8.708 6.137 626 HH11 ARG 82 1HH1 ARG 82 9.612 -10.078 9.179 627 HH12 ARG 82 2HH1 ARG 82 10.191 -11.670 8.810 628 HH21 ARG 82 1HH2 ARG 82 11.406 -10.803 5.635 629 HH22 ARG 82 2HH2 ARG 82 11.220 -12.082 6.795 630 H ARG 83 H ARG 83 12.377 -4.339 7.323 631 HA ARG 83 HA ARG 83 11.700 -2.632 5.017 632 HB2 ARG 83 1HB ARG 83 14.407 -3.542 6.109 633 HB3 ARG 83 2HB ARG 83 14.194 -2.627 4.622 634 HG2 ARG 83 1HG ARG 83 14.829 -1.023 6.233 635 HG3 ARG 83 2HG ARG 83 13.093 -0.805 6.048 636 HD2 ARG 83 1HD ARG 83 13.667 -0.658 8.398 637 HD3 ARG 83 2HD ARG 83 12.751 -2.145 8.135 638 HE ARG 83 HE ARG 83 15.597 -2.527 7.990 639 HH11 ARG 83 1HH1 ARG 83 12.884 -2.441 10.228 640 HH12 ARG 83 2HH1 ARG 83 13.758 -3.243 11.487 641 HH21 ARG 83 1HH2 ARG 83 16.701 -3.576 9.646 642 HH22 ARG 83 2HH2 ARG 83 15.904 -3.900 11.151 643 H PHE 84 H PHE 84 12.524 -3.402 2.929 644 HA PHE 84 HA PHE 84 12.383 -6.346 2.589 645 HB2 PHE 84 1HB PHE 84 10.738 -4.286 1.011 646 HB3 PHE 84 2HB PHE 84 10.795 -6.012 0.669 647 HD1 PHE 84 HD2 PHE 84 9.864 -7.633 2.328 648 HD2 PHE 84 HD1 PHE 84 9.282 -3.425 2.743 649 HE1 PHE 84 HE2 PHE 84 8.051 -8.026 3.907 650 HE2 PHE 84 HE1 PHE 84 7.479 -3.851 4.346 651 HZ PHE 84 HZ PHE 84 6.866 -6.149 4.938 652 H GLN 85 H GLN 85 13.256 -7.053 0.511 653 HA GLN 85 HA GLN 85 15.251 -5.185 -0.616 654 HB2 GLN 85 1HB GLN 85 14.948 -8.199 -0.971 655 HB3 GLN 85 2HB GLN 85 16.269 -7.227 -1.623 656 HG2 GLN 85 1HG GLN 85 16.978 -6.648 0.661 657 HG3 GLN 85 2HG GLN 85 15.634 -7.572 1.325 658 HE21 GLN 85 2HE2 GLN 85 18.513 -7.861 1.755 659 HE22 GLN 85 1HE2 GLN 85 18.894 -9.498 1.357 660 H THR 86 H THR 86 12.154 -6.573 -1.351 661 HA THR 86 HA THR 86 12.110 -5.234 -3.961 662 HB THR 86 HB THR 86 10.909 -7.252 -5.022 663 HG1 THR 86 HG1 THR 86 11.889 -8.430 -2.637 664 HG21 THR 86 3HG2 THR 86 12.960 -8.500 -5.623 665 HG22 THR 86 1HG2 THR 86 13.829 -7.731 -4.290 666 HG23 THR 86 2HG2 THR 86 13.260 -6.759 -5.650 667 H LEU 87 H LEU 87 9.977 -4.690 -4.643 668 HA LEU 87 HA LEU 87 7.952 -4.226 -2.720 669 HB2 LEU 87 1HB LEU 87 7.795 -4.248 -5.751 670 HB3 LEU 87 2HB LEU 87 6.477 -3.705 -4.729 671 HG LEU 87 HG LEU 87 9.223 -2.385 -4.894 672 HD11 LEU 87 1HD1 LEU 87 6.568 -1.473 -6.060 673 HD12 LEU 87 2HD1 LEU 87 7.950 -2.087 -6.973 674 HD13 LEU 87 3HD1 LEU 87 8.085 -0.569 -6.091 675 HD21 LEU 87 3HD2 LEU 87 8.212 -0.562 -3.574 676 HD22 LEU 87 1HD2 LEU 87 8.200 -2.083 -2.678 677 HD23 LEU 87 2HD2 LEU 87 6.713 -1.487 -3.424 678 H GLY 88 H GLY 88 8.482 -6.950 -4.895 679 HA2 GLY 88 1HA GLY 88 6.122 -8.379 -4.694 680 HA3 GLY 88 2HA GLY 88 7.714 -9.119 -4.773 681 H GLU 89 H GLU 89 8.802 -8.292 -2.347 682 HA GLU 89 HA GLU 89 7.716 -10.146 -0.462 683 HB2 GLU 89 1HB GLU 89 9.791 -7.949 -0.119 684 HB3 GLU 89 2HB GLU 89 9.420 -9.162 1.105 685 HG2 GLU 89 1HG GLU 89 10.209 -10.939 -0.352 686 HG3 GLU 89 2HG GLU 89 10.496 -9.782 -1.661 687 H LEU 90 H LEU 90 7.468 -6.649 -0.890 688 HA LEU 90 HA LEU 90 6.292 -5.828 1.502 689 HB2 LEU 90 1HB LEU 90 7.071 -4.227 -0.156 690 HB3 LEU 90 2HB LEU 90 5.967 -4.856 -1.359 691 HG LEU 90 HG LEU 90 4.058 -4.011 0.189 692 HD11 LEU 90 1HD1 LEU 90 6.329 -2.400 1.387 693 HD12 LEU 90 2HD1 LEU 90 5.361 -3.628 2.204 694 HD13 LEU 90 3HD1 LEU 90 4.605 -2.135 1.665 695 HD21 LEU 90 3HD2 LEU 90 5.826 -1.988 -1.222 696 HD22 LEU 90 1HD2 LEU 90 4.134 -1.745 -0.770 697 HD23 LEU 90 2HD2 LEU 90 4.561 -2.972 -1.963 698 H ILE 91 H ILE 91 4.669 -6.655 -1.560 699 HA ILE 91 HA ILE 91 2.023 -6.649 -0.600 700 HB ILE 91 HB ILE 91 3.123 -8.165 -3.016 701 HG12 ILE 91 1HG1 ILE 91 3.751 -5.803 -3.187 702 HG13 ILE 91 2HG1 ILE 91 2.477 -6.142 -4.345 703 HG21 ILE 91 1HG2 ILE 91 0.827 -7.965 -3.944 704 HG22 ILE 91 2HG2 ILE 91 0.277 -7.243 -2.430 705 HG23 ILE 91 3HG2 ILE 91 0.852 -8.913 -2.456 706 HD11 ILE 91 3HD1 ILE 91 2.183 -4.700 -1.716 707 HD12 ILE 91 1HD1 ILE 91 0.856 -5.078 -2.819 708 HD13 ILE 91 2HD1 ILE 91 2.150 -3.996 -3.330 709 H GLY 92 H GLY 92 4.429 -9.187 -0.883 710 HA2 GLY 92 1HA GLY 92 2.985 -11.521 -0.417 711 HA3 GLY 92 2HA GLY 92 4.672 -11.274 0.014 712 H LEU 93 H LEU 93 4.759 -9.586 2.051 713 HA LEU 93 HA LEU 93 3.746 -11.166 4.211 714 HB2 LEU 93 1HB LEU 93 5.403 -8.628 4.185 715 HB3 LEU 93 2HB LEU 93 4.928 -9.450 5.660 716 HG LEU 93 HG LEU 93 6.785 -10.502 3.493 717 HD11 LEU 93 1HD1 LEU 93 7.788 -8.975 5.120 718 HD12 LEU 93 2HD1 LEU 93 8.429 -10.605 5.266 719 HD13 LEU 93 3HD1 LEU 93 7.251 -10.014 6.442 720 HD21 LEU 93 3HD2 LEU 93 5.699 -12.046 5.874 721 HD22 LEU 93 1HD2 LEU 93 6.997 -12.582 4.802 722 HD23 LEU 93 2HD2 LEU 93 5.369 -12.370 4.170 723 H TYR 94 H TYR 94 2.948 -7.870 3.020 724 HA TYR 94 HA TYR 94 1.144 -7.342 5.196 725 HB2 TYR 94 1HB TYR 94 1.667 -5.897 2.578 726 HB3 TYR 94 2HB TYR 94 0.401 -5.369 3.683 727 HD1 TYR 94 HD2 TYR 94 1.052 -4.736 6.062 728 HD2 TYR 94 HD1 TYR 94 3.958 -5.249 2.987 729 HE1 TYR 94 HE2 TYR 94 2.678 -3.458 7.383 730 HE2 TYR 94 HE1 TYR 94 5.581 -3.989 4.306 731 HH TYR 94 HH TYR 94 5.148 -3.225 7.565 732 H ALA 95 H ALA 95 0.738 -9.307 2.424 733 HA ALA 95 HA ALA 95 -2.042 -9.157 2.039 734 HB1 ALA 95 3HB ALA 95 -0.215 -11.561 1.760 735 HB2 ALA 95 1HB ALA 95 -0.498 -10.328 0.530 736 HB3 ALA 95 2HB ALA 95 -1.818 -11.385 1.038 737 H GLN 96 H GLN 96 -0.540 -9.987 4.935 738 HA GLN 96 HA GLN 96 -2.685 -11.812 5.834 739 HB2 GLN 96 1HB GLN 96 -1.353 -12.197 7.838 740 HB3 GLN 96 2HB GLN 96 -0.332 -12.394 6.418 741 HG2 GLN 96 1HG GLN 96 0.516 -10.058 6.809 742 HG3 GLN 96 2HG GLN 96 -0.370 -10.048 8.329 743 HE21 GLN 96 2HE2 GLN 96 1.550 -9.799 9.520 744 HE22 GLN 96 1HE2 GLN 96 2.668 -11.092 9.752 745 HA PRO 97 HA PRO 97 -4.802 -8.292 7.675 746 HB2 PRO 97 1HB PRO 97 -6.498 -10.025 9.304 747 HB3 PRO 97 2HB PRO 97 -6.892 -9.213 7.788 748 HG2 PRO 97 1HG PRO 97 -6.651 -11.956 8.039 749 HG3 PRO 97 2HG PRO 97 -6.433 -11.073 6.517 750 HD2 PRO 97 1HD PRO 97 -4.328 -12.112 8.420 751 HD3 PRO 97 2HD PRO 97 -4.364 -12.140 6.637 752 H ASN 98 H ASN 98 -5.605 -7.517 9.874 753 HA ASN 98 HA ASN 98 -5.058 -6.549 11.814 754 HB2 ASN 98 1HB ASN 98 -5.910 -8.864 12.458 755 HB3 ASN 98 2HB ASN 98 -4.237 -9.340 12.708 756 HD21 ASN 98 2HD2 ASN 98 -6.441 -9.247 14.631 757 HD22 ASN 98 1HD2 ASN 98 -5.929 -8.195 15.900 758 H GLN 99 H GLN 99 -3.355 -5.285 10.981 759 HA GLN 99 HA GLN 99 -0.812 -5.665 12.304 760 HB2 GLN 99 1HB GLN 99 -0.756 -7.038 10.112 761 HB3 GLN 99 2HB GLN 99 -0.779 -5.501 9.258 762 HG2 GLN 99 1HG GLN 99 1.478 -6.482 9.472 763 HG3 GLN 99 2HG GLN 99 1.359 -4.881 10.193 764 HE21 GLN 99 2HE2 GLN 99 1.571 -8.327 10.907 765 HE22 GLN 99 1HE2 GLN 99 2.121 -8.154 12.535 766 H GLY 100 H GLY 100 -3.205 -3.658 11.606 767 HA2 GLY 100 1HA GLY 100 -3.144 -1.314 12.106 768 HA3 GLY 100 2HA GLY 100 -1.515 -1.230 11.451 769 H LEU 101 H LEU 101 -2.659 -3.081 9.250 770 HA LEU 101 HA LEU 101 -3.224 -1.256 7.208 771 HB2 LEU 101 1HB LEU 101 -3.370 -4.250 7.575 772 HB3 LEU 101 2HB LEU 101 -4.110 -3.568 6.145 773 HG LEU 101 HG LEU 101 -1.737 -4.496 5.897 774 HD11 LEU 101 1HD1 LEU 101 -2.204 -1.644 5.005 775 HD12 LEU 101 2HD1 LEU 101 -2.802 -3.103 4.209 776 HD13 LEU 101 3HD1 LEU 101 -1.069 -2.801 4.300 777 HD21 LEU 101 3HD2 LEU 101 0.150 -3.061 6.506 778 HD22 LEU 101 1HD2 LEU 101 -0.737 -3.558 7.944 779 HD23 LEU 101 2HD2 LEU 101 -0.930 -1.920 7.311 780 H VAL 102 H VAL 102 -5.215 -0.742 6.115 781 HA VAL 102 HA VAL 102 -7.726 -1.317 7.455 782 HB VAL 102 HB VAL 102 -8.777 -0.082 5.526 783 HG11 VAL 102 1HG1 VAL 102 -8.163 1.127 7.572 784 HG12 VAL 102 2HG1 VAL 102 -7.945 2.159 6.160 785 HG13 VAL 102 3HG1 VAL 102 -6.539 1.423 6.938 786 HG21 VAL 102 3HG2 VAL 102 -7.359 1.192 3.955 787 HG22 VAL 102 1HG2 VAL 102 -7.135 -0.547 3.758 788 HG23 VAL 102 2HG2 VAL 102 -5.915 0.407 4.611 789 H CYS 103 H CYS 103 -7.418 -3.561 7.455 790 HA CYS 103 HA CYS 103 -7.930 -5.694 6.884 791 HB2 CYS 103 1HB CYS 103 -9.883 -4.948 5.585 792 HB3 CYS 103 2HB CYS 103 -8.858 -4.537 4.218 793 HG CYS 103 HG CYS 103 -8.426 -7.010 3.339 794 H ALA 104 H ALA 104 -7.207 -7.437 5.199 795 HA ALA 104 HA ALA 104 -4.362 -7.185 4.795 796 HB1 ALA 104 3HB ALA 104 -5.365 -9.345 5.446 797 HB2 ALA 104 1HB ALA 104 -4.522 -9.490 3.902 798 HB3 ALA 104 2HB ALA 104 -6.285 -9.386 3.942 799 H LEU 105 H LEU 105 -3.415 -7.731 2.615 800 HA LEU 105 HA LEU 105 -4.508 -6.059 0.529 801 HB2 LEU 105 1HB LEU 105 -2.158 -7.986 0.416 802 HB3 LEU 105 2HB LEU 105 -2.556 -6.775 -0.788 803 HG LEU 105 HG LEU 105 -1.437 -6.337 2.001 804 HD11 LEU 105 1HD1 LEU 105 0.200 -6.795 0.273 805 HD12 LEU 105 2HD1 LEU 105 0.343 -5.129 0.823 806 HD13 LEU 105 3HD1 LEU 105 -0.434 -5.483 -0.724 807 HD21 LEU 105 3HD2 LEU 105 -2.605 -4.182 0.217 808 HD22 LEU 105 1HD2 LEU 105 -1.653 -3.901 1.679 809 HD23 LEU 105 2HD2 LEU 105 -3.219 -4.696 1.788 810 H LEU 106 H LEU 106 -6.423 -6.820 -0.110 811 HA LEU 106 HA LEU 106 -6.988 -9.656 -0.433 812 HB2 LEU 106 1HB LEU 106 -8.516 -7.907 0.706 813 HB3 LEU 106 2HB LEU 106 -8.870 -7.301 -0.897 814 HG LEU 106 HG LEU 106 -10.646 -8.788 0.095 815 HD11 LEU 106 1HD1 LEU 106 -9.521 -9.887 -2.491 816 HD12 LEU 106 2HD1 LEU 106 -10.565 -8.472 -2.333 817 HD13 LEU 106 3HD1 LEU 106 -11.175 -10.064 -1.889 818 HD21 LEU 106 3HD2 LEU 106 -8.638 -11.031 -0.271 819 HD22 LEU 106 1HD2 LEU 106 -10.329 -11.202 0.215 820 HD23 LEU 106 2HD2 LEU 106 -9.191 -10.367 1.270 821 H LEU 107 H LEU 107 -7.326 -6.744 -2.444 822 HA LEU 107 HA LEU 107 -6.711 -8.201 -4.902 823 HB2 LEU 107 1HB LEU 107 -9.193 -8.480 -4.627 824 HB3 LEU 107 2HB LEU 107 -9.370 -6.737 -4.513 825 HG LEU 107 HG LEU 107 -8.446 -6.576 -6.885 826 HD11 LEU 107 1HD1 LEU 107 -8.467 -8.538 -8.329 827 HD12 LEU 107 2HD1 LEU 107 -8.844 -9.577 -6.951 828 HD13 LEU 107 3HD1 LEU 107 -7.300 -8.728 -7.022 829 HD21 LEU 107 3HD2 LEU 107 -10.556 -7.171 -7.975 830 HD22 LEU 107 1HD2 LEU 107 -10.828 -6.351 -6.438 831 HD23 LEU 107 2HD2 LEU 107 -11.041 -8.101 -6.552 832 HA PRO 108 HA PRO 108 -4.646 -4.183 -5.251 833 HB2 PRO 108 1HB PRO 108 -4.210 -4.305 -8.059 834 HB3 PRO 108 2HB PRO 108 -3.094 -4.883 -6.815 835 HG2 PRO 108 1HG PRO 108 -5.102 -6.402 -8.435 836 HG3 PRO 108 2HG PRO 108 -3.488 -6.908 -7.901 837 HD2 PRO 108 1HD PRO 108 -5.704 -7.840 -6.686 838 HD3 PRO 108 2HD PRO 108 -4.242 -7.473 -5.740 839 H VAL 109 H VAL 109 -6.422 -4.634 -8.305 840 HA VAL 109 HA VAL 109 -8.501 -2.717 -7.531 841 HB VAL 109 HB VAL 109 -6.727 -2.421 -9.994 842 HG11 VAL 109 1HG1 VAL 109 -9.366 -1.021 -9.442 843 HG12 VAL 109 2HG1 VAL 109 -9.049 -2.164 -10.742 844 HG13 VAL 109 3HG1 VAL 109 -8.249 -0.595 -10.748 845 HG21 VAL 109 3HG2 VAL 109 -5.850 -1.286 -7.998 846 HG22 VAL 109 1HG2 VAL 109 -7.389 -0.459 -7.760 847 HG23 VAL 109 2HG2 VAL 109 -6.396 -0.088 -9.175 Start of MODEL 3 1 H1 MET 1 1H MET 1 -15.628 -5.851 -37.405 2 H2 MET 1 2H MET 1 -14.530 -7.084 -37.065 3 H3 MET 1 3H MET 1 -14.115 -5.867 -38.163 4 HA MET 1 HA MET 1 -13.022 -5.570 -36.054 5 HB2 MET 1 1HB MET 1 -13.635 -3.186 -35.715 6 HB3 MET 1 2HB MET 1 -13.496 -3.589 -37.419 7 HG2 MET 1 1HG MET 1 -15.943 -3.675 -37.603 8 HG3 MET 1 2HG MET 1 -16.092 -3.300 -35.885 9 HE1 MET 1 3HE MET 1 -14.426 -0.324 -39.033 10 HE2 MET 1 1HE MET 1 -15.051 -1.921 -39.449 11 HE3 MET 1 2HE MET 1 -13.540 -1.770 -38.549 12 H GLY 2 H GLY 2 -13.112 -5.249 -33.805 13 HA2 GLY 2 1HA GLY 2 -15.597 -5.375 -32.322 14 HA3 GLY 2 2HA GLY 2 -14.647 -6.859 -32.266 15 H HIS 3 H HIS 3 -15.022 -3.709 -31.029 16 HA HIS 3 HA HIS 3 -12.666 -4.006 -29.272 17 HB2 HIS 3 1HB HIS 3 -12.150 -2.347 -31.076 18 HB3 HIS 3 2HB HIS 3 -13.547 -1.396 -30.596 19 HD1 HIS 3 HD1 HIS 3 -13.290 0.131 -28.549 20 HD2 HIS 3 HD2 HIS 3 -9.929 -2.203 -29.286 21 HE1 HIS 3 HE1 HIS 3 -11.482 1.086 -27.094 22 HE2 HIS 3 HE2 HIS 3 -9.419 -0.234 -27.686 23 H HIS 4 H HIS 4 -16.010 -3.486 -29.593 24 HA HIS 4 HA HIS 4 -16.398 -1.920 -27.177 25 HB2 HIS 4 1HB HIS 4 -17.901 -1.716 -29.197 26 HB3 HIS 4 2HB HIS 4 -18.493 -3.340 -28.875 27 HD1 HIS 4 HD1 HIS 4 -20.346 -3.573 -27.179 28 HD2 HIS 4 HD2 HIS 4 -18.647 0.219 -27.166 29 HE1 HIS 4 HE1 HIS 4 -21.819 -2.180 -25.695 30 HE2 HIS 4 HE2 HIS 4 -20.705 0.074 -25.613 31 H HIS 5 H HIS 5 -15.361 -3.264 -25.677 32 HA HIS 5 HA HIS 5 -17.161 -5.082 -24.345 33 HB2 HIS 5 1HB HIS 5 -15.557 -6.940 -24.066 34 HB3 HIS 5 2HB HIS 5 -15.936 -6.699 -25.761 35 HD1 HIS 5 HD1 HIS 5 -13.190 -7.601 -23.815 36 HD2 HIS 5 HD2 HIS 5 -13.664 -4.855 -26.887 37 HE1 HIS 5 HE1 HIS 5 -10.907 -7.314 -24.813 38 HE2 HIS 5 HE2 HIS 5 -11.197 -5.519 -26.554 39 H HIS 6 H HIS 6 -16.693 -5.219 -22.100 40 HA HIS 6 HA HIS 6 -15.988 -2.840 -20.922 41 HB2 HIS 6 1HB HIS 6 -16.147 -3.976 -18.750 42 HB3 HIS 6 2HB HIS 6 -17.403 -4.547 -19.836 43 HD1 HIS 6 HD1 HIS 6 -15.131 -5.806 -17.426 44 HD2 HIS 6 HD2 HIS 6 -16.401 -7.173 -21.136 45 HE1 HIS 6 HE1 HIS 6 -14.597 -8.253 -17.455 46 HE2 HIS 6 HE2 HIS 6 -15.190 -9.002 -19.778 47 H HIS 7 H HIS 7 -14.093 -1.810 -20.724 48 HA HIS 7 HA HIS 7 -11.586 -3.341 -20.742 49 HB2 HIS 7 1HB HIS 7 -11.828 -1.550 -22.455 50 HB3 HIS 7 2HB HIS 7 -11.977 -0.346 -21.178 51 HD1 HIS 7 HD1 HIS 7 -9.834 0.814 -20.719 52 HD2 HIS 7 HD2 HIS 7 -9.198 -3.062 -22.058 53 HE1 HIS 7 HE1 HIS 7 -7.345 0.544 -20.821 54 HE2 HIS 7 HE2 HIS 7 -6.989 -1.864 -21.461 55 H HIS 8 H HIS 8 -10.849 -3.818 -18.827 56 HA HIS 8 HA HIS 8 -11.171 -2.258 -16.434 57 HB2 HIS 8 1HB HIS 8 -10.864 -4.703 -16.332 58 HB3 HIS 8 2HB HIS 8 -9.294 -4.571 -17.120 59 HD1 HIS 8 HD1 HIS 8 -7.352 -4.487 -15.579 60 HD2 HIS 8 HD2 HIS 8 -10.859 -3.340 -13.682 61 HE1 HIS 8 HE1 HIS 8 -6.725 -4.114 -13.183 62 HE2 HIS 8 HE2 HIS 8 -8.906 -3.636 -12.029 63 H SER 9 H SER 9 -9.607 -0.934 -15.423 64 HA SER 9 HA SER 9 -7.835 0.631 -16.922 65 HB2 SER 9 1HB SER 9 -6.962 1.357 -14.645 66 HB3 SER 9 2HB SER 9 -8.716 1.428 -14.795 67 HG SER 9 HG SER 9 -7.141 -0.170 -13.187 68 H HIS 10 H HIS 10 -5.468 0.784 -16.715 69 HA HIS 10 HA HIS 10 -4.170 -1.422 -17.725 70 HB2 HIS 10 1HB HIS 10 -3.392 0.941 -17.898 71 HB3 HIS 10 2HB HIS 10 -2.893 0.894 -16.212 72 HD1 HIS 10 HD1 HIS 10 -0.815 -0.686 -15.659 73 HD2 HIS 10 HD2 HIS 10 -1.569 -0.098 -19.700 74 HE1 HIS 10 HE1 HIS 10 1.237 -1.490 -16.842 75 HE2 HIS 10 HE2 HIS 10 0.852 -0.879 -19.253 76 H MET 11 H MET 11 -3.019 -3.143 -16.916 77 HA MET 11 HA MET 11 -3.504 -4.085 -14.290 78 HB2 MET 11 1HB MET 11 -1.514 -5.040 -16.391 79 HB3 MET 11 2HB MET 11 -1.837 -5.903 -14.894 80 HG2 MET 11 1HG MET 11 -4.175 -6.234 -15.587 81 HG3 MET 11 2HG MET 11 -3.851 -5.357 -17.086 82 HE1 MET 11 3HE MET 11 -1.387 -7.897 -15.267 83 HE2 MET 11 1HE MET 11 -1.852 -9.415 -16.038 84 HE3 MET 11 2HE MET 11 -2.983 -8.591 -14.967 85 H SER 12 H SER 12 -1.489 -5.093 -13.054 86 HA SER 12 HA SER 12 0.109 -4.747 -11.527 87 HB2 SER 12 1HB SER 12 1.731 -4.119 -13.246 88 HB3 SER 12 2HB SER 12 1.046 -2.501 -13.370 89 HG SER 12 HG SER 12 2.404 -1.955 -11.881 90 H TRP 13 H TRP 13 0.224 -3.660 -9.549 91 HA TRP 13 HA TRP 13 -1.798 -1.635 -9.031 92 HB2 TRP 13 1HB TRP 13 -0.658 -1.954 -6.604 93 HB3 TRP 13 2HB TRP 13 -1.830 -3.096 -7.228 94 HD1 TRP 13 HD1 TRP 13 -1.094 -5.575 -7.320 95 HE1 TRP 13 HE1 TRP 13 1.094 -6.844 -6.899 96 HE3 TRP 13 HE3 TRP 13 2.109 -1.618 -6.927 97 HZ2 TRP 13 HZ2 TRP 13 3.797 -6.274 -6.475 98 HZ3 TRP 13 HZ3 TRP 13 4.489 -2.069 -6.518 99 HH2 TRP 13 HH2 TRP 13 5.319 -4.355 -6.297 100 H TYR 14 H TYR 14 1.558 -1.903 -9.665 101 HA TYR 14 HA TYR 14 2.436 0.605 -8.573 102 HB2 TYR 14 1HB TYR 14 4.011 -1.261 -8.818 103 HB3 TYR 14 2HB TYR 14 3.770 -1.273 -10.562 104 HD1 TYR 14 HD1 TYR 14 4.499 1.489 -8.067 105 HD2 TYR 14 HD2 TYR 14 5.733 -0.537 -11.628 106 HE1 TYR 14 HE1 TYR 14 6.373 3.068 -8.324 107 HE2 TYR 14 HE2 TYR 14 7.599 1.034 -11.873 108 HH TYR 14 HH TYR 14 8.529 3.207 -9.399 109 H HIS 15 H HIS 15 1.464 2.392 -9.383 110 HA HIS 15 HA HIS 15 1.747 2.998 -12.261 111 HB2 HIS 15 1HB HIS 15 -0.486 3.987 -10.397 112 HB3 HIS 15 2HB HIS 15 -0.286 4.424 -12.091 113 HD1 HIS 15 HD1 HIS 15 -0.931 2.595 -13.861 114 HD2 HIS 15 HD2 HIS 15 -1.762 1.547 -9.929 115 HE1 HIS 15 HE1 HIS 15 -2.525 0.664 -14.013 116 HE2 HIS 15 HE2 HIS 15 -2.877 -0.060 -11.626 117 H ARG 16 H ARG 16 3.522 4.383 -12.252 118 HA ARG 16 HA ARG 16 4.476 5.945 -10.143 119 HB2 ARG 16 1HB ARG 16 4.863 6.333 -13.134 120 HB3 ARG 16 2HB ARG 16 5.715 7.294 -11.921 121 HG2 ARG 16 1HG ARG 16 6.635 5.118 -10.986 122 HG3 ARG 16 2HG ARG 16 5.942 4.296 -12.389 123 HD2 ARG 16 1HD ARG 16 7.363 5.625 -13.890 124 HD3 ARG 16 2HD ARG 16 7.980 6.551 -12.515 125 HE ARG 16 HE ARG 16 8.401 3.671 -12.402 126 HH11 ARG 16 1HH1 ARG 16 9.822 6.793 -13.164 127 HH12 ARG 16 2HH1 ARG 16 11.446 6.178 -13.187 128 HH21 ARG 16 1HH2 ARG 16 10.531 2.902 -12.419 129 HH22 ARG 16 2HH2 ARG 16 11.844 3.975 -12.777 130 H ASP 17 H ASP 17 4.562 8.547 -10.090 131 HA ASP 17 HA ASP 17 2.708 8.986 -8.442 132 HB2 ASP 17 1HB ASP 17 4.299 10.732 -9.105 133 HB3 ASP 17 2HB ASP 17 3.323 11.109 -10.518 134 H LEU 18 H LEU 18 1.043 7.506 -9.128 135 HA LEU 18 HA LEU 18 -1.191 8.308 -10.619 136 HB2 LEU 18 1HB LEU 18 -0.832 6.041 -9.676 137 HB3 LEU 18 2HB LEU 18 -1.114 6.667 -8.063 138 HG LEU 18 HG LEU 18 -3.458 7.110 -8.576 139 HD11 LEU 18 1HD1 LEU 18 -4.499 6.456 -10.703 140 HD12 LEU 18 2HD1 LEU 18 -2.911 6.091 -11.384 141 HD13 LEU 18 3HD1 LEU 18 -3.322 7.748 -10.930 142 HD21 LEU 18 3HD2 LEU 18 -2.637 4.316 -9.434 143 HD22 LEU 18 1HD2 LEU 18 -4.234 4.798 -8.858 144 HD23 LEU 18 2HD2 LEU 18 -2.852 4.874 -7.772 145 H SER 19 H SER 19 -0.086 9.277 -7.454 146 HA SER 19 HA SER 19 -0.308 11.285 -6.366 147 HB2 SER 19 1HB SER 19 -1.035 12.519 -8.368 148 HB3 SER 19 2HB SER 19 -2.667 11.871 -8.210 149 HG SER 19 HG SER 19 -2.398 14.028 -7.369 150 H ARG 20 H ARG 20 -1.455 11.742 -4.412 151 HA ARG 20 HA ARG 20 -2.486 9.368 -3.288 152 HB2 ARG 20 1HB ARG 20 -2.414 12.201 -2.209 153 HB3 ARG 20 2HB ARG 20 -2.989 10.840 -1.251 154 HG2 ARG 20 1HG ARG 20 -0.773 9.761 -1.471 155 HG3 ARG 20 2HG ARG 20 -0.196 11.145 -2.401 156 HD2 ARG 20 1HD ARG 20 0.528 11.285 -0.053 157 HD3 ARG 20 2HD ARG 20 -0.562 12.616 -0.456 158 HE ARG 20 HE ARG 20 -2.028 10.448 0.636 159 HH11 ARG 20 1HH1 ARG 20 0.132 13.025 1.655 160 HH12 ARG 20 2HH1 ARG 20 -0.508 13.077 3.266 161 HH21 ARG 20 1HH2 ARG 20 -2.858 10.537 2.747 162 HH22 ARG 20 2HH2 ARG 20 -2.204 11.677 3.883 163 H ALA 21 H ALA 21 -4.131 12.399 -4.135 164 HA ALA 21 HA ALA 21 -6.728 11.774 -3.283 165 HB1 ALA 21 3HB ALA 21 -5.961 14.049 -3.820 166 HB2 ALA 21 1HB ALA 21 -7.429 13.648 -4.717 167 HB3 ALA 21 2HB ALA 21 -5.858 13.623 -5.528 168 H ALA 22 H ALA 22 -5.235 11.502 -6.508 169 HA ALA 22 HA ALA 22 -7.531 10.341 -7.773 170 HB1 ALA 22 3HB ALA 22 -4.662 10.508 -8.734 171 HB2 ALA 22 1HB ALA 22 -5.915 11.717 -9.013 172 HB3 ALA 22 2HB ALA 22 -6.060 10.111 -9.730 173 H ALA 23 H ALA 23 -4.911 9.039 -5.932 174 HA ALA 23 HA ALA 23 -4.911 6.358 -6.915 175 HB1 ALA 23 3HB ALA 23 -3.567 5.869 -4.885 176 HB2 ALA 23 1HB ALA 23 -3.904 7.490 -4.277 177 HB3 ALA 23 2HB ALA 23 -2.954 7.275 -5.748 178 H GLU 24 H GLU 24 -6.199 7.861 -3.923 179 HA GLU 24 HA GLU 24 -7.652 5.558 -3.093 180 HB2 GLU 24 1HB GLU 24 -8.628 7.018 -1.360 181 HB3 GLU 24 2HB GLU 24 -6.887 7.172 -1.450 182 HG2 GLU 24 1HG GLU 24 -7.306 9.391 -1.305 183 HG3 GLU 24 2HG GLU 24 -7.575 9.260 -3.036 184 H GLU 25 H GLU 25 -8.358 8.153 -5.277 185 HA GLU 25 HA GLU 25 -11.176 7.745 -5.500 186 HB2 GLU 25 1HB GLU 25 -9.995 9.798 -6.326 187 HB3 GLU 25 2HB GLU 25 -9.239 8.834 -7.590 188 HG2 GLU 25 1HG GLU 25 -11.611 8.257 -8.381 189 HG3 GLU 25 2HG GLU 25 -12.176 9.509 -7.274 190 H LEU 26 H LEU 26 -8.430 6.667 -7.588 191 HA LEU 26 HA LEU 26 -9.785 4.879 -9.228 192 HB2 LEU 26 1HB LEU 26 -7.451 5.549 -9.658 193 HB3 LEU 26 2HB LEU 26 -6.914 4.652 -8.248 194 HG LEU 26 HG LEU 26 -7.602 2.508 -9.337 195 HD11 LEU 26 1HD1 LEU 26 -9.413 3.300 -10.761 196 HD12 LEU 26 2HD1 LEU 26 -8.217 2.421 -11.707 197 HD13 LEU 26 3HD1 LEU 26 -8.270 4.185 -11.774 198 HD21 LEU 26 3HD2 LEU 26 -5.802 2.372 -10.984 199 HD22 LEU 26 1HD2 LEU 26 -5.280 3.276 -9.564 200 HD23 LEU 26 2HD2 LEU 26 -5.691 4.133 -11.052 201 H LEU 27 H LEU 27 -8.627 4.408 -5.957 202 HA LEU 27 HA LEU 27 -9.132 1.618 -5.717 203 HB2 LEU 27 1HB LEU 27 -9.121 3.842 -3.645 204 HB3 LEU 27 2HB LEU 27 -9.402 2.161 -3.223 205 HG LEU 27 HG LEU 27 -6.850 3.188 -4.528 206 HD11 LEU 27 1HD1 LEU 27 -5.769 2.932 -2.353 207 HD12 LEU 27 2HD1 LEU 27 -7.303 2.467 -1.616 208 HD13 LEU 27 3HD1 LEU 27 -7.087 4.096 -2.254 209 HD21 LEU 27 3HD2 LEU 27 -7.289 0.831 -5.044 210 HD22 LEU 27 1HD2 LEU 27 -7.478 0.471 -3.324 211 HD23 LEU 27 2HD2 LEU 27 -5.911 0.988 -3.956 212 H ALA 28 H ALA 28 -11.098 4.466 -4.767 213 HA ALA 28 HA ALA 28 -13.407 3.163 -3.943 214 HB1 ALA 28 3HB ALA 28 -13.197 5.923 -5.191 215 HB2 ALA 28 1HB ALA 28 -12.922 5.532 -3.493 216 HB3 ALA 28 2HB ALA 28 -14.529 5.336 -4.192 217 H ARG 29 H ARG 29 -12.552 4.233 -7.227 218 HA ARG 29 HA ARG 29 -15.093 3.665 -8.387 219 HB2 ARG 29 1HB ARG 29 -13.373 5.421 -9.159 220 HB3 ARG 29 2HB ARG 29 -12.477 4.086 -9.881 221 HG2 ARG 29 1HG ARG 29 -14.497 3.541 -11.275 222 HG3 ARG 29 2HG ARG 29 -15.308 4.949 -10.578 223 HD2 ARG 29 1HD ARG 29 -12.865 4.925 -12.376 224 HD3 ARG 29 2HD ARG 29 -14.461 5.581 -12.744 225 HE ARG 29 HE ARG 29 -12.316 6.878 -11.393 226 HH11 ARG 29 1HH1 ARG 29 -15.839 6.815 -11.402 227 HH12 ARG 29 2HH1 ARG 29 -15.973 8.434 -10.806 228 HH21 ARG 29 1HH2 ARG 29 -12.535 8.969 -10.607 229 HH22 ARG 29 2HH2 ARG 29 -14.111 9.654 -10.367 230 H ALA 30 H ALA 30 -11.871 2.108 -8.692 231 HA ALA 30 HA ALA 30 -12.884 0.027 -10.455 232 HB1 ALA 30 3HB ALA 30 -10.544 -0.715 -10.583 233 HB2 ALA 30 1HB ALA 30 -10.097 0.412 -9.298 234 HB3 ALA 30 2HB ALA 30 -10.669 1.025 -10.852 235 H GLY 31 H GLY 31 -11.128 0.022 -7.333 236 HA2 GLY 31 1HA GLY 31 -12.260 -2.657 -6.691 237 HA3 GLY 31 2HA GLY 31 -10.642 -2.119 -6.241 238 H ARG 32 H ARG 32 -14.050 -1.671 -5.682 239 HA ARG 32 HA ARG 32 -13.857 0.687 -4.080 240 HB2 ARG 32 1HB ARG 32 -16.283 0.411 -3.761 241 HB3 ARG 32 2HB ARG 32 -15.837 0.196 -5.452 242 HG2 ARG 32 1HG ARG 32 -16.101 -2.199 -5.304 243 HG3 ARG 32 2HG ARG 32 -16.270 -2.132 -3.548 244 HD2 ARG 32 1HD ARG 32 -18.396 -0.827 -3.854 245 HD3 ARG 32 2HD ARG 32 -18.235 -1.063 -5.598 246 HE ARG 32 HE ARG 32 -18.878 -3.262 -5.368 247 HH11 ARG 32 1HH1 ARG 32 -18.315 -1.977 -2.118 248 HH12 ARG 32 2HH1 ARG 32 -19.113 -3.311 -1.353 249 HH21 ARG 32 1HH2 ARG 32 -19.905 -4.977 -4.325 250 HH22 ARG 32 2HH2 ARG 32 -20.014 -5.000 -2.595 251 H ASP 33 H ASP 33 -12.468 -1.885 -2.921 252 HA ASP 33 HA ASP 33 -12.798 -1.714 -0.264 253 HB2 ASP 33 1HB ASP 33 -14.295 -3.512 0.466 254 HB3 ASP 33 2HB ASP 33 -15.200 -2.371 -0.500 255 H GLY 34 H GLY 34 -11.264 -3.021 0.732 256 HA2 GLY 34 1HA GLY 34 -9.744 -4.670 1.076 257 HA3 GLY 34 2HA GLY 34 -10.455 -5.584 -0.237 258 H SER 35 H SER 35 -9.598 -2.573 -1.461 259 HA SER 35 HA SER 35 -7.597 -3.955 -3.075 260 HB2 SER 35 1HB SER 35 -8.988 -1.281 -3.484 261 HB3 SER 35 2HB SER 35 -7.934 -2.088 -4.652 262 HG SER 35 HG SER 35 -10.145 -3.443 -3.568 263 H PHE 36 H PHE 36 -5.689 -2.859 -3.825 264 HA PHE 36 HA PHE 36 -4.608 -0.664 -2.271 265 HB2 PHE 36 1HB PHE 36 -2.629 -1.810 -1.517 266 HB3 PHE 36 2HB PHE 36 -3.987 -2.800 -1.015 267 HD1 PHE 36 HD2 PHE 36 -4.539 -4.906 -2.369 268 HD2 PHE 36 HD1 PHE 36 -0.906 -2.724 -2.931 269 HE1 PHE 36 HE2 PHE 36 -3.541 -6.846 -3.500 270 HE2 PHE 36 HE1 PHE 36 0.078 -4.665 -4.069 271 HZ PHE 36 HZ PHE 36 -1.235 -6.724 -4.353 272 H LEU 37 H LEU 37 -2.904 0.367 -3.343 273 HA LEU 37 HA LEU 37 -1.672 -0.845 -5.669 274 HB2 LEU 37 1HB LEU 37 -2.080 1.250 -7.063 275 HB3 LEU 37 2HB LEU 37 -3.464 0.214 -6.806 276 HG LEU 37 HG LEU 37 -4.104 1.850 -4.879 277 HD11 LEU 37 1HD1 LEU 37 -2.033 3.117 -4.742 278 HD12 LEU 37 2HD1 LEU 37 -3.396 4.154 -5.131 279 HD13 LEU 37 3HD1 LEU 37 -2.253 3.702 -6.397 280 HD21 LEU 37 3HD2 LEU 37 -5.341 3.317 -6.414 281 HD22 LEU 37 1HD2 LEU 37 -5.429 1.627 -6.910 282 HD23 LEU 37 2HD2 LEU 37 -4.361 2.743 -7.768 283 H VAL 38 H VAL 38 0.291 0.225 -6.305 284 HA VAL 38 HA VAL 38 1.488 1.931 -4.197 285 HB VAL 38 HB VAL 38 2.882 -0.103 -6.011 286 HG11 VAL 38 1HG1 VAL 38 4.340 1.857 -5.761 287 HG12 VAL 38 2HG1 VAL 38 4.991 0.504 -4.837 288 HG13 VAL 38 3HG1 VAL 38 4.144 1.809 -4.005 289 HG21 VAL 38 3HG2 VAL 38 3.473 -1.274 -3.909 290 HG22 VAL 38 1HG2 VAL 38 1.724 -1.140 -4.089 291 HG23 VAL 38 2HG2 VAL 38 2.579 -0.071 -2.973 292 H ARG 39 H ARG 39 2.151 3.871 -4.875 293 HA ARG 39 HA ARG 39 2.454 4.441 -7.753 294 HB2 ARG 39 1HB ARG 39 1.817 6.840 -7.109 295 HB3 ARG 39 2HB ARG 39 0.515 5.655 -7.094 296 HG2 ARG 39 1HG ARG 39 0.442 5.586 -4.718 297 HG3 ARG 39 2HG ARG 39 1.994 6.415 -4.561 298 HD2 ARG 39 1HD ARG 39 -0.471 7.719 -5.768 299 HD3 ARG 39 2HD ARG 39 -0.059 7.823 -4.050 300 HE ARG 39 HE ARG 39 1.446 9.020 -6.301 301 HH11 ARG 39 1HH1 ARG 39 1.062 8.654 -2.828 302 HH12 ARG 39 2HH1 ARG 39 2.102 9.985 -2.453 303 HH21 ARG 39 1HH2 ARG 39 2.871 10.736 -5.771 304 HH22 ARG 39 2HH2 ARG 39 3.098 11.173 -4.105 305 H ASP 40 H ASP 40 3.870 6.376 -8.102 306 HA ASP 40 HA ASP 40 6.328 6.185 -6.539 307 HB2 ASP 40 1HB ASP 40 6.476 6.381 -9.000 308 HB3 ASP 40 2HB ASP 40 5.598 7.909 -8.954 309 H SER 41 H SER 41 6.894 7.607 -4.988 310 HA SER 41 HA SER 41 4.933 9.301 -3.818 311 HB2 SER 41 1HB SER 41 6.616 8.066 -2.469 312 HB3 SER 41 2HB SER 41 7.899 9.058 -3.155 313 HG SER 41 HG SER 41 6.816 9.600 -0.986 314 H GLU 42 H GLU 42 5.109 11.529 -3.391 315 HA GLU 42 HA GLU 42 6.461 13.154 -5.477 316 HB2 GLU 42 1HB GLU 42 3.884 13.040 -5.535 317 HB3 GLU 42 2HB GLU 42 3.872 13.858 -3.979 318 HG2 GLU 42 1HG GLU 42 5.115 15.035 -6.489 319 HG3 GLU 42 2HG GLU 42 3.428 15.284 -6.052 320 H SER 43 H SER 43 5.451 12.783 -2.123 321 HA SER 43 HA SER 43 6.665 14.901 -0.817 322 HB2 SER 43 1HB SER 43 5.159 13.304 0.305 323 HB3 SER 43 2HB SER 43 6.328 12.003 0.083 324 HG SER 43 HG SER 43 6.729 14.349 1.644 325 H VAL 44 H VAL 44 8.073 11.784 -1.827 326 HA VAL 44 HA VAL 44 10.806 12.817 -1.332 327 HB VAL 44 HB VAL 44 9.865 9.971 -0.703 328 HG11 VAL 44 1HG1 VAL 44 12.161 9.617 0.181 329 HG12 VAL 44 2HG1 VAL 44 12.617 11.236 -0.359 330 HG13 VAL 44 3HG1 VAL 44 12.173 10.002 -1.541 331 HG21 VAL 44 3HG2 VAL 44 10.681 12.182 1.236 332 HG22 VAL 44 1HG2 VAL 44 10.318 10.515 1.684 333 HG23 VAL 44 2HG2 VAL 44 9.050 11.544 1.015 334 H ALA 45 H ALA 45 11.724 12.962 -3.309 335 HA ALA 45 HA ALA 45 11.018 11.457 -5.619 336 HB1 ALA 45 3HB ALA 45 13.546 13.056 -5.072 337 HB2 ALA 45 1HB ALA 45 12.048 13.687 -5.767 338 HB3 ALA 45 2HB ALA 45 13.001 12.500 -6.656 339 H GLY 46 H GLY 46 11.724 9.486 -6.331 340 HA2 GLY 46 1HA GLY 46 13.228 7.704 -6.660 341 HA3 GLY 46 2HA GLY 46 14.182 8.245 -5.286 342 H ALA 47 H ALA 47 11.012 8.383 -4.322 343 HA ALA 47 HA ALA 47 11.085 5.683 -3.087 344 HB1 ALA 47 3HB ALA 47 11.471 7.517 -1.482 345 HB2 ALA 47 1HB ALA 47 9.960 6.665 -1.149 346 HB3 ALA 47 2HB ALA 47 9.930 8.245 -1.939 347 H PHE 48 H PHE 48 8.801 5.230 -2.143 348 HA PHE 48 HA PHE 48 6.733 5.488 -4.245 349 HB2 PHE 48 1HB PHE 48 7.294 2.946 -2.651 350 HB3 PHE 48 2HB PHE 48 6.161 3.134 -3.985 351 HD1 PHE 48 HD1 PHE 48 7.155 3.709 -6.314 352 HD2 PHE 48 HD2 PHE 48 9.509 2.212 -3.071 353 HE1 PHE 48 HE1 PHE 48 8.916 3.032 -7.892 354 HE2 PHE 48 HE2 PHE 48 11.264 1.535 -4.660 355 HZ PHE 48 HZ PHE 48 10.967 1.949 -7.073 356 H ALA 49 H ALA 49 4.569 4.888 -3.446 357 HA ALA 49 HA ALA 49 4.037 5.119 -0.564 358 HB1 ALA 49 3HB ALA 49 2.588 6.718 -2.712 359 HB2 ALA 49 1HB ALA 49 3.718 7.377 -1.524 360 HB3 ALA 49 2HB ALA 49 2.180 6.694 -0.994 361 H LEU 50 H LEU 50 2.022 4.079 0.069 362 HA LEU 50 HA LEU 50 0.876 2.172 -1.894 363 HB2 LEU 50 1HB LEU 50 2.415 0.913 -0.458 364 HB3 LEU 50 2HB LEU 50 1.726 1.639 0.981 365 HG LEU 50 HG LEU 50 -0.406 0.399 0.568 366 HD11 LEU 50 1HD1 LEU 50 1.079 -1.001 -1.674 367 HD12 LEU 50 2HD1 LEU 50 -0.285 0.105 -1.856 368 HD13 LEU 50 3HD1 LEU 50 -0.511 -1.436 -1.037 369 HD21 LEU 50 3HD2 LEU 50 1.265 -0.524 2.109 370 HD22 LEU 50 1HD2 LEU 50 2.046 -1.383 0.778 371 HD23 LEU 50 2HD2 LEU 50 0.405 -1.814 1.270 372 H CYS 51 H CYS 51 -1.239 2.621 -2.108 373 HA CYS 51 HA CYS 51 -2.746 3.901 0.101 374 HB2 CYS 51 1HB CYS 51 -3.320 3.981 -2.899 375 HB3 CYS 51 2HB CYS 51 -4.220 4.836 -1.644 376 HG CYS 51 HG CYS 51 -1.193 5.755 -1.190 377 H VAL 52 H VAL 52 -4.306 2.646 1.004 378 HA VAL 52 HA VAL 52 -5.229 0.177 -0.369 379 HB VAL 52 HB VAL 52 -4.637 0.288 2.628 380 HG11 VAL 52 1HG1 VAL 52 -4.748 -2.186 2.523 381 HG12 VAL 52 2HG1 VAL 52 -5.093 -2.100 0.794 382 HG13 VAL 52 3HG1 VAL 52 -6.251 -1.449 1.957 383 HG21 VAL 52 3HG2 VAL 52 -2.490 0.621 1.478 384 HG22 VAL 52 1HG2 VAL 52 -2.766 -0.823 0.500 385 HG23 VAL 52 2HG2 VAL 52 -2.546 -0.964 2.248 386 H LEU 53 H LEU 53 -7.466 -0.096 -0.209 387 HA LEU 53 HA LEU 53 -9.016 1.708 1.549 388 HB2 LEU 53 1HB LEU 53 -9.148 2.430 -0.819 389 HB3 LEU 53 2HB LEU 53 -9.613 0.816 -1.311 390 HG LEU 53 HG LEU 53 -11.737 1.058 0.018 391 HD11 LEU 53 1HD1 LEU 53 -10.855 3.934 0.382 392 HD12 LEU 53 2HD1 LEU 53 -11.029 2.719 1.654 393 HD13 LEU 53 3HD1 LEU 53 -12.447 3.282 0.776 394 HD21 LEU 53 3HD2 LEU 53 -12.884 2.526 -1.573 395 HD22 LEU 53 1HD2 LEU 53 -11.740 1.469 -2.398 396 HD23 LEU 53 2HD2 LEU 53 -11.336 3.167 -2.127 397 H TYR 54 H TYR 54 -9.919 0.307 3.123 398 HA TYR 54 HA TYR 54 -11.724 -1.764 2.022 399 HB2 TYR 54 1HB TYR 54 -9.736 -2.755 3.180 400 HB3 TYR 54 2HB TYR 54 -10.119 -1.842 4.629 401 HD1 TYR 54 HD1 TYR 54 -12.007 -2.550 6.082 402 HD2 TYR 54 HD2 TYR 54 -11.015 -4.765 2.568 403 HE1 TYR 54 HE1 TYR 54 -13.350 -4.437 6.894 404 HE2 TYR 54 HE2 TYR 54 -12.367 -6.650 3.381 405 HH TYR 54 HH TYR 54 -13.198 -7.536 5.526 406 H GLN 55 H GLN 55 -13.787 -1.613 2.744 407 HA GLN 55 HA GLN 55 -15.681 -0.413 3.273 408 HB2 GLN 55 1HB GLN 55 -14.379 -0.877 5.972 409 HB3 GLN 55 2HB GLN 55 -16.033 -0.302 5.803 410 HG2 GLN 55 1HG GLN 55 -16.615 -2.379 4.594 411 HG3 GLN 55 2HG GLN 55 -14.967 -2.964 4.816 412 HE21 GLN 55 2HE2 GLN 55 -15.651 -4.771 6.013 413 HE22 GLN 55 1HE2 GLN 55 -16.258 -4.642 7.626 414 H LYS 56 H LYS 56 -14.572 1.517 2.152 415 HA LYS 56 HA LYS 56 -14.325 3.730 1.860 416 HB2 LYS 56 1HB LYS 56 -16.611 3.721 2.832 417 HB3 LYS 56 2HB LYS 56 -15.938 3.951 4.437 418 HG2 LYS 56 1HG LYS 56 -15.133 6.184 3.822 419 HG3 LYS 56 2HG LYS 56 -15.671 5.949 2.158 420 HD2 LYS 56 1HD LYS 56 -17.514 5.999 4.583 421 HD3 LYS 56 2HD LYS 56 -17.220 7.382 3.523 422 HE2 LYS 56 1HE LYS 56 -18.470 4.729 2.702 423 HE3 LYS 56 2HE LYS 56 -19.322 6.254 2.931 424 HZ1 LYS 56 3HZ LYS 56 -18.060 7.201 1.097 425 HZ2 LYS 56 1HZ LYS 56 -18.898 5.816 0.605 426 HZ3 LYS 56 2HZ LYS 56 -17.235 5.741 0.878 427 H HIS 57 H HIS 57 -12.504 2.248 4.000 428 HA HIS 57 HA HIS 57 -11.371 4.640 5.345 429 HB2 HIS 57 1HB HIS 57 -12.210 2.675 6.788 430 HB3 HIS 57 2HB HIS 57 -10.843 1.752 6.174 431 HD1 HIS 57 HD1 HIS 57 -11.748 3.632 8.997 432 HD2 HIS 57 HD2 HIS 57 -8.290 3.431 6.704 433 HE1 HIS 57 HE1 HIS 57 -9.925 4.546 10.455 434 HE2 HIS 57 HE2 HIS 57 -7.858 4.499 9.017 435 H VAL 58 H VAL 58 -9.868 5.421 4.068 436 HA VAL 58 HA VAL 58 -8.022 3.790 2.506 437 HB VAL 58 HB VAL 58 -8.083 6.836 2.852 438 HG11 VAL 58 1HG1 VAL 58 -6.671 5.150 0.737 439 HG12 VAL 58 2HG1 VAL 58 -5.884 6.019 2.056 440 HG13 VAL 58 3HG1 VAL 58 -6.717 6.913 0.782 441 HG21 VAL 58 3HG2 VAL 58 -9.246 6.923 0.667 442 HG22 VAL 58 1HG2 VAL 58 -10.203 6.063 1.876 443 HG23 VAL 58 2HG2 VAL 58 -9.330 5.158 0.637 444 H HIS 59 H HIS 59 -5.904 3.524 2.982 445 HA HIS 59 HA HIS 59 -4.637 4.947 5.223 446 HB2 HIS 59 1HB HIS 59 -5.399 2.560 5.972 447 HB3 HIS 59 2HB HIS 59 -4.146 1.948 4.898 448 HD1 HIS 59 HD1 HIS 59 -1.897 4.034 5.602 449 HD2 HIS 59 HD2 HIS 59 -4.230 2.042 8.402 450 HE1 HIS 59 HE1 HIS 59 -0.617 4.158 7.749 451 HE2 HIS 59 HE2 HIS 59 -2.138 3.122 9.460 452 H THR 60 H THR 60 -2.950 5.958 4.318 453 HA THR 60 HA THR 60 -1.622 4.765 1.959 454 HB THR 60 HB THR 60 -1.775 7.707 2.778 455 HG1 THR 60 HG1 THR 60 -3.662 6.341 1.762 456 HG21 THR 60 3HG2 THR 60 -0.814 8.169 0.540 457 HG22 THR 60 1HG2 THR 60 -0.654 6.439 0.238 458 HG23 THR 60 2HG2 THR 60 0.299 7.205 1.512 459 H TYR 61 H TYR 61 0.463 4.258 2.158 460 HA TYR 61 HA TYR 61 2.013 4.987 4.556 461 HB2 TYR 61 1HB TYR 61 2.387 2.615 2.653 462 HB3 TYR 61 2HB TYR 61 3.316 2.921 4.117 463 HD1 TYR 61 HD2 TYR 61 -0.045 1.951 2.828 464 HD2 TYR 61 HD1 TYR 61 2.480 2.205 6.276 465 HE1 TYR 61 HE2 TYR 61 -1.660 0.623 4.128 466 HE2 TYR 61 HE1 TYR 61 0.859 0.884 7.556 467 HH TYR 61 HH TYR 61 -1.682 -0.800 6.138 468 H ARG 62 H ARG 62 4.191 5.637 4.185 469 HA ARG 62 HA ARG 62 5.005 6.117 1.390 470 HB2 ARG 62 1HB ARG 62 6.265 7.114 3.979 471 HB3 ARG 62 2HB ARG 62 6.895 7.421 2.358 472 HG2 ARG 62 1HG ARG 62 4.656 8.540 1.838 473 HG3 ARG 62 2HG ARG 62 4.298 8.436 3.564 474 HD2 ARG 62 1HD ARG 62 6.617 9.922 2.283 475 HD3 ARG 62 2HD ARG 62 5.172 10.647 2.999 476 HE ARG 62 HE ARG 62 6.438 9.062 4.944 477 HH11 ARG 62 1HH1 ARG 62 7.007 12.067 3.209 478 HH12 ARG 62 2HH1 ARG 62 8.003 12.721 4.462 479 HH21 ARG 62 1HH2 ARG 62 7.737 9.957 6.575 480 HH22 ARG 62 2HH2 ARG 62 8.431 11.532 6.357 481 H ILE 63 H ILE 63 7.594 5.455 1.140 482 HA ILE 63 HA ILE 63 8.097 2.897 2.095 483 HB ILE 63 HB ILE 63 7.058 3.011 -0.804 484 HG12 ILE 63 1HG1 ILE 63 5.964 0.743 -0.061 485 HG13 ILE 63 2HG1 ILE 63 6.292 1.270 1.579 486 HG21 ILE 63 1HG2 ILE 63 9.283 2.006 -0.865 487 HG22 ILE 63 2HG2 ILE 63 8.074 0.761 -1.171 488 HG23 ILE 63 3HG2 ILE 63 8.847 0.870 0.414 489 HD11 ILE 63 3HD1 ILE 63 4.834 3.181 1.249 490 HD12 ILE 63 1HD1 ILE 63 4.005 1.670 0.893 491 HD13 ILE 63 2HD1 ILE 63 4.559 2.701 -0.426 492 H LEU 64 H LEU 64 10.181 3.553 2.365 493 HA LEU 64 HA LEU 64 11.346 5.489 0.461 494 HB2 LEU 64 1HB LEU 64 12.024 4.914 3.381 495 HB3 LEU 64 2HB LEU 64 12.866 6.073 2.370 496 HG LEU 64 HG LEU 64 11.452 7.352 3.778 497 HD11 LEU 64 1HD1 LEU 64 9.914 8.490 2.279 498 HD12 LEU 64 2HD1 LEU 64 10.007 7.153 1.130 499 HD13 LEU 64 3HD1 LEU 64 11.440 8.127 1.475 500 HD21 LEU 64 3HD2 LEU 64 9.054 6.998 4.129 501 HD22 LEU 64 1HD2 LEU 64 9.983 5.579 4.612 502 HD23 LEU 64 2HD2 LEU 64 9.095 5.572 3.087 503 HA PRO 65 HA PRO 65 14.706 2.468 -0.388 504 HB2 PRO 65 1HB PRO 65 16.443 4.928 -0.225 505 HB3 PRO 65 2HB PRO 65 16.423 3.651 -1.453 506 HG2 PRO 65 1HG PRO 65 15.321 6.015 -1.985 507 HG3 PRO 65 2HG PRO 65 14.509 4.524 -2.514 508 HD2 PRO 65 1HD PRO 65 13.862 6.307 -0.165 509 HD3 PRO 65 2HD PRO 65 12.762 5.484 -1.294 510 H ASP 66 H ASP 66 16.112 5.096 1.605 511 HA ASP 66 HA ASP 66 17.445 5.056 3.429 512 HB2 ASP 66 1HB ASP 66 14.824 3.873 4.323 513 HB3 ASP 66 2HB ASP 66 16.141 3.926 5.486 514 H GLY 67 H GLY 67 19.046 3.797 2.469 515 HA2 GLY 67 1HA GLY 67 20.041 1.629 3.853 516 HA3 GLY 67 2HA GLY 67 19.101 0.951 2.518 517 H GLU 68 H GLU 68 19.838 1.213 0.393 518 HA GLU 68 HA GLU 68 21.762 2.400 -0.871 519 HB2 GLU 68 1HB GLU 68 23.937 1.244 -0.583 520 HB3 GLU 68 2HB GLU 68 23.468 2.087 0.883 521 HG2 GLU 68 1HG GLU 68 22.662 -0.112 1.810 522 HG3 GLU 68 2HG GLU 68 23.335 -0.897 0.385 523 H ASP 69 H ASP 69 20.355 -0.594 0.091 524 HA ASP 69 HA ASP 69 20.056 -1.490 -2.660 525 HB2 ASP 69 1HB ASP 69 21.043 -3.678 -2.423 526 HB3 ASP 69 2HB ASP 69 22.247 -2.506 -1.909 527 H PHE 70 H PHE 70 18.704 -1.046 0.334 528 HA PHE 70 HA PHE 70 16.588 -3.074 -0.089 529 HB2 PHE 70 1HB PHE 70 17.618 -1.982 2.576 530 HB3 PHE 70 2HB PHE 70 16.172 -2.972 2.405 531 HD1 PHE 70 HD1 PHE 70 16.675 -5.279 1.011 532 HD2 PHE 70 HD2 PHE 70 19.520 -3.123 3.355 533 HE1 PHE 70 HE1 PHE 70 17.988 -7.334 1.318 534 HE2 PHE 70 HE2 PHE 70 20.834 -5.179 3.652 535 HZ PHE 70 HZ PHE 70 20.067 -7.291 2.633 536 H LEU 71 H LEU 71 14.462 -2.362 0.650 537 HA LEU 71 HA LEU 71 14.060 0.577 0.679 538 HB2 LEU 71 1HB LEU 71 11.815 0.288 -0.262 539 HB3 LEU 71 2HB LEU 71 13.046 -0.300 -1.358 540 HG LEU 71 HG LEU 71 11.499 -2.239 0.403 541 HD11 LEU 71 1HD1 LEU 71 9.884 -2.591 -1.403 542 HD12 LEU 71 2HD1 LEU 71 10.595 -1.261 -2.322 543 HD13 LEU 71 3HD1 LEU 71 9.798 -0.947 -0.777 544 HD21 LEU 71 3HD2 LEU 71 12.842 -2.612 -2.293 545 HD22 LEU 71 1HD2 LEU 71 12.019 -3.861 -1.352 546 HD23 LEU 71 2HD2 LEU 71 13.492 -3.119 -0.730 547 H ALA 72 H ALA 72 13.381 1.334 2.565 548 HA ALA 72 HA ALA 72 12.258 -0.459 4.596 549 HB1 ALA 72 3HB ALA 72 14.245 0.869 5.200 550 HB2 ALA 72 1HB ALA 72 12.849 1.265 6.204 551 HB3 ALA 72 2HB ALA 72 13.343 2.358 4.900 552 H VAL 73 H VAL 73 10.192 -0.462 4.936 553 HA VAL 73 HA VAL 73 8.412 1.589 3.757 554 HB VAL 73 HB VAL 73 7.576 -1.059 5.034 555 HG11 VAL 73 1HG1 VAL 73 6.041 0.827 3.192 556 HG12 VAL 73 2HG1 VAL 73 5.739 0.564 4.911 557 HG13 VAL 73 3HG1 VAL 73 5.461 -0.740 3.754 558 HG21 VAL 73 3HG2 VAL 73 8.063 -0.523 2.084 559 HG22 VAL 73 1HG2 VAL 73 7.404 -2.001 2.781 560 HG23 VAL 73 2HG2 VAL 73 9.069 -1.525 3.139 561 H GLN 74 H GLN 74 6.849 2.660 5.058 562 HA GLN 74 HA GLN 74 7.511 2.734 7.948 563 HB2 GLN 74 1HB GLN 74 6.305 4.888 6.154 564 HB3 GLN 74 2HB GLN 74 6.344 4.997 7.914 565 HG2 GLN 74 1HG GLN 74 8.731 4.858 6.054 566 HG3 GLN 74 2HG GLN 74 8.182 6.265 6.955 567 HE21 GLN 74 2HE2 GLN 74 7.692 4.741 9.461 568 HE22 GLN 74 1HE2 GLN 74 9.245 4.340 10.096 569 H THR 75 H THR 75 6.307 0.975 8.472 570 HA THR 75 HA THR 75 3.538 0.633 7.851 571 HB THR 75 HB THR 75 4.775 -0.732 10.260 572 HG1 THR 75 HG1 THR 75 5.623 -1.223 7.582 573 HG21 THR 75 3HG2 THR 75 3.683 -2.728 9.300 574 HG22 THR 75 1HG2 THR 75 3.204 -1.801 7.874 575 HG23 THR 75 2HG2 THR 75 2.520 -1.412 9.454 576 H SER 76 H SER 76 1.954 0.340 9.836 577 HA SER 76 HA SER 76 1.567 2.858 11.088 578 HB2 SER 76 1HB SER 76 -0.285 1.278 10.509 579 HB3 SER 76 2HB SER 76 0.270 0.184 11.779 580 HG SER 76 HG SER 76 -0.108 1.926 13.268 581 H GLN 77 H GLN 77 2.920 3.587 12.636 582 HA GLN 77 HA GLN 77 4.709 2.123 14.209 583 HB2 GLN 77 1HB GLN 77 3.555 4.910 14.681 584 HB3 GLN 77 2HB GLN 77 4.955 4.260 15.526 585 HG2 GLN 77 1HG GLN 77 4.785 4.714 12.527 586 HG3 GLN 77 2HG GLN 77 5.570 5.797 13.675 587 HE21 GLN 77 2HE2 GLN 77 6.687 4.344 11.366 588 HE22 GLN 77 1HE2 GLN 77 8.003 3.423 11.992 589 H GLY 78 H GLY 78 4.100 0.570 15.628 590 HA2 GLY 78 1HA GLY 78 2.677 0.525 17.883 591 HA3 GLY 78 2HA GLY 78 1.399 0.483 16.662 592 H VAL 79 H VAL 79 3.192 -0.850 14.742 593 HA VAL 79 HA VAL 79 3.652 -3.546 15.892 594 HB VAL 79 HB VAL 79 3.337 -4.465 13.598 595 HG11 VAL 79 1HG1 VAL 79 0.935 -2.828 14.490 596 HG12 VAL 79 2HG1 VAL 79 1.381 -4.428 15.081 597 HG13 VAL 79 3HG1 VAL 79 0.881 -4.223 13.402 598 HG21 VAL 79 3HG2 VAL 79 2.414 -3.091 11.744 599 HG22 VAL 79 1HG2 VAL 79 4.000 -2.505 12.255 600 HG23 VAL 79 2HG2 VAL 79 2.543 -1.650 12.755 601 HA PRO 80 HA PRO 80 8.013 -2.906 14.775 602 HB2 PRO 80 1HB PRO 80 8.758 -5.279 13.558 603 HB3 PRO 80 2HB PRO 80 8.544 -5.102 15.307 604 HG2 PRO 80 1HG PRO 80 6.590 -6.155 13.254 605 HG3 PRO 80 2HG PRO 80 7.040 -6.857 14.824 606 HD2 PRO 80 1HD PRO 80 4.770 -5.458 14.565 607 HD3 PRO 80 2HD PRO 80 5.762 -5.286 16.033 608 H VAL 81 H VAL 81 8.936 -1.694 13.136 609 HA VAL 81 HA VAL 81 7.753 -1.421 10.559 610 HB VAL 81 HB VAL 81 10.430 -0.388 11.635 611 HG11 VAL 81 1HG1 VAL 81 8.942 0.472 9.124 612 HG12 VAL 81 2HG1 VAL 81 10.476 -0.396 9.179 613 HG13 VAL 81 3HG1 VAL 81 10.383 1.260 9.778 614 HG21 VAL 81 3HG2 VAL 81 7.751 1.042 11.422 615 HG22 VAL 81 1HG2 VAL 81 9.268 1.754 11.984 616 HG23 VAL 81 2HG2 VAL 81 8.500 0.466 12.913 617 H ARG 82 H ARG 82 8.158 -2.625 8.800 618 HA ARG 82 HA ARG 82 10.492 -4.458 8.831 619 HB2 ARG 82 1HB ARG 82 8.040 -5.385 8.871 620 HB3 ARG 82 2HB ARG 82 7.995 -4.937 7.175 621 HG2 ARG 82 1HG ARG 82 8.585 -7.223 7.182 622 HG3 ARG 82 2HG ARG 82 10.097 -6.377 6.865 623 HD2 ARG 82 1HD ARG 82 10.661 -6.594 9.304 624 HD3 ARG 82 2HD ARG 82 9.186 -7.542 9.521 625 HE ARG 82 HE ARG 82 11.021 -8.533 7.504 626 HH11 ARG 82 1HH1 ARG 82 9.977 -8.846 10.849 627 HH12 ARG 82 2HH1 ARG 82 10.811 -10.346 11.083 628 HH21 ARG 82 1HH2 ARG 82 12.096 -10.478 7.839 629 HH22 ARG 82 2HH2 ARG 82 12.009 -11.268 9.377 630 H ARG 83 H ARG 83 12.057 -3.979 7.450 631 HA ARG 83 HA ARG 83 11.517 -2.621 4.897 632 HB2 ARG 83 1HB ARG 83 14.095 -2.571 4.774 633 HB3 ARG 83 2HB ARG 83 13.306 -1.528 5.935 634 HG2 ARG 83 1HG ARG 83 14.940 -2.276 7.325 635 HG3 ARG 83 2HG ARG 83 13.849 -3.635 7.563 636 HD2 ARG 83 1HD ARG 83 16.141 -3.588 5.563 637 HD3 ARG 83 2HD ARG 83 16.242 -4.288 7.179 638 HE ARG 83 HE ARG 83 14.118 -5.574 6.065 639 HH11 ARG 83 1HH1 ARG 83 17.502 -5.313 5.257 640 HH12 ARG 83 2HH1 ARG 83 17.483 -6.712 4.234 641 HH21 ARG 83 1HH2 ARG 83 14.078 -7.364 4.701 642 HH22 ARG 83 2HH2 ARG 83 15.538 -7.870 3.910 643 H PHE 84 H PHE 84 12.428 -3.540 2.921 644 HA PHE 84 HA PHE 84 12.671 -6.484 2.909 645 HB2 PHE 84 1HB PHE 84 10.946 -4.860 0.975 646 HB3 PHE 84 2HB PHE 84 11.099 -6.616 1.025 647 HD1 PHE 84 HD1 PHE 84 10.205 -7.852 3.082 648 HD2 PHE 84 HD2 PHE 84 9.296 -3.745 2.328 649 HE1 PHE 84 HE1 PHE 84 8.304 -7.983 4.634 650 HE2 PHE 84 HE2 PHE 84 7.391 -3.891 3.883 651 HZ PHE 84 HZ PHE 84 6.895 -6.010 5.032 652 H GLN 85 H GLN 85 13.665 -7.320 0.898 653 HA GLN 85 HA GLN 85 15.497 -5.491 -0.453 654 HB2 GLN 85 1HB GLN 85 16.512 -7.409 -1.452 655 HB3 GLN 85 2HB GLN 85 16.179 -7.825 0.225 656 HG2 GLN 85 1HG GLN 85 14.144 -9.071 -0.550 657 HG3 GLN 85 2HG GLN 85 14.613 -8.724 -2.214 658 HE21 GLN 85 2HE2 GLN 85 15.316 -10.600 0.635 659 HE22 GLN 85 1HE2 GLN 85 16.443 -11.686 -0.101 660 H THR 86 H THR 86 12.362 -6.891 -1.030 661 HA THR 86 HA THR 86 12.192 -5.601 -3.665 662 HB THR 86 HB THR 86 13.025 -7.936 -4.071 663 HG1 THR 86 HG1 THR 86 11.967 -7.436 -5.825 664 HG21 THR 86 3HG2 THR 86 11.922 -9.128 -2.207 665 HG22 THR 86 1HG2 THR 86 11.512 -9.865 -3.759 666 HG23 THR 86 2HG2 THR 86 10.340 -8.835 -2.934 667 H LEU 87 H LEU 87 10.008 -5.266 -4.399 668 HA LEU 87 HA LEU 87 8.041 -4.690 -2.502 669 HB2 LEU 87 1HB LEU 87 7.804 -5.166 -5.499 670 HB3 LEU 87 2HB LEU 87 6.486 -4.540 -4.516 671 HG LEU 87 HG LEU 87 9.170 -3.126 -4.837 672 HD11 LEU 87 1HD1 LEU 87 6.584 -2.521 -6.312 673 HD12 LEU 87 2HD1 LEU 87 8.047 -3.207 -7.021 674 HD13 LEU 87 3HD1 LEU 87 8.072 -1.568 -6.378 675 HD21 LEU 87 3HD2 LEU 87 6.536 -2.151 -3.676 676 HD22 LEU 87 1HD2 LEU 87 8.002 -1.182 -3.878 677 HD23 LEU 87 2HD2 LEU 87 7.995 -2.544 -2.765 678 H GLY 88 H GLY 88 8.574 -7.653 -4.384 679 HA2 GLY 88 1HA GLY 88 6.291 -9.121 -4.094 680 HA3 GLY 88 2HA GLY 88 7.896 -9.823 -3.993 681 H GLU 89 H GLU 89 8.848 -8.865 -1.622 682 HA GLU 89 HA GLU 89 7.573 -10.494 0.356 683 HB2 GLU 89 1HB GLU 89 9.723 -8.365 0.699 684 HB3 GLU 89 2HB GLU 89 9.299 -9.587 1.894 685 HG2 GLU 89 1HG GLU 89 10.148 -11.352 0.452 686 HG3 GLU 89 2HG GLU 89 10.450 -10.192 -0.845 687 H LEU 90 H LEU 90 7.383 -7.072 -0.493 688 HA LEU 90 HA LEU 90 6.348 -6.033 1.953 689 HB2 LEU 90 1HB LEU 90 7.510 -4.778 0.040 690 HB3 LEU 90 2HB LEU 90 6.031 -4.932 -0.878 691 HG LEU 90 HG LEU 90 6.237 -3.382 1.747 692 HD11 LEU 90 1HD1 LEU 90 6.386 -2.277 -1.085 693 HD12 LEU 90 2HD1 LEU 90 7.715 -2.363 0.073 694 HD13 LEU 90 3HD1 LEU 90 6.333 -1.324 0.405 695 HD21 LEU 90 3HD2 LEU 90 4.141 -2.259 1.024 696 HD22 LEU 90 1HD2 LEU 90 3.918 -3.995 1.249 697 HD23 LEU 90 2HD2 LEU 90 4.058 -3.333 -0.379 698 H ILE 91 H ILE 91 4.985 -7.678 -0.830 699 HA ILE 91 HA ILE 91 2.302 -6.581 -0.436 700 HB ILE 91 HB ILE 91 3.316 -8.571 -2.518 701 HG12 ILE 91 1HG1 ILE 91 4.302 -6.361 -2.907 702 HG13 ILE 91 2HG1 ILE 91 3.078 -6.647 -4.131 703 HG21 ILE 91 1HG2 ILE 91 1.160 -8.180 -3.692 704 HG22 ILE 91 2HG2 ILE 91 0.606 -7.208 -2.327 705 HG23 ILE 91 3HG2 ILE 91 0.930 -8.930 -2.109 706 HD11 ILE 91 3HD1 ILE 91 3.003 -4.365 -3.373 707 HD12 ILE 91 1HD1 ILE 91 2.803 -4.882 -1.698 708 HD13 ILE 91 2HD1 ILE 91 1.530 -5.194 -2.879 709 H GLY 92 H GLY 92 4.105 -9.629 -0.128 710 HA2 GLY 92 1HA GLY 92 1.899 -11.292 0.597 711 HA3 GLY 92 2HA GLY 92 3.605 -11.649 0.795 712 H LEU 93 H LEU 93 4.304 -9.466 2.501 713 HA LEU 93 HA LEU 93 3.496 -10.565 5.021 714 HB2 LEU 93 1HB LEU 93 5.787 -9.623 4.479 715 HB3 LEU 93 2HB LEU 93 5.094 -8.017 4.559 716 HG LEU 93 HG LEU 93 4.827 -9.837 6.973 717 HD11 LEU 93 1HD1 LEU 93 6.978 -9.073 7.870 718 HD12 LEU 93 2HD1 LEU 93 7.343 -8.280 6.334 719 HD13 LEU 93 3HD1 LEU 93 7.177 -10.035 6.407 720 HD21 LEU 93 3HD2 LEU 93 3.655 -7.664 7.049 721 HD22 LEU 93 1HD2 LEU 93 5.185 -6.819 6.789 722 HD23 LEU 93 2HD2 LEU 93 4.925 -7.753 8.266 723 H TYR 94 H TYR 94 2.638 -7.633 3.167 724 HA TYR 94 HA TYR 94 0.961 -6.585 5.292 725 HB2 TYR 94 1HB TYR 94 1.606 -5.649 2.464 726 HB3 TYR 94 2HB TYR 94 0.408 -4.843 3.471 727 HD1 TYR 94 HD1 TYR 94 3.715 -6.242 4.588 728 HD2 TYR 94 HD2 TYR 94 1.438 -2.717 3.812 729 HE1 TYR 94 HE1 TYR 94 5.464 -4.889 5.623 730 HE2 TYR 94 HE2 TYR 94 3.186 -1.367 4.864 731 HH TYR 94 HH TYR 94 6.287 -2.626 5.589 732 H ALA 95 H ALA 95 0.605 -8.855 2.726 733 HA ALA 95 HA ALA 95 -2.254 -8.835 2.605 734 HB1 ALA 95 3HB ALA 95 -2.013 -11.041 1.549 735 HB2 ALA 95 1HB ALA 95 -0.309 -11.093 2.016 736 HB3 ALA 95 2HB ALA 95 -0.871 -9.889 0.855 737 H GLN 96 H GLN 96 -0.245 -9.442 5.169 738 HA GLN 96 HA GLN 96 -2.006 -11.346 6.548 739 HB2 GLN 96 1HB GLN 96 0.521 -9.896 7.466 740 HB3 GLN 96 2HB GLN 96 -0.384 -11.040 8.453 741 HG2 GLN 96 1HG GLN 96 0.819 -11.807 5.781 742 HG3 GLN 96 2HG GLN 96 1.732 -11.888 7.284 743 HE21 GLN 96 2HE2 GLN 96 1.987 -14.130 7.089 744 HE22 GLN 96 1HE2 GLN 96 0.694 -15.239 7.359 745 HA PRO 97 HA PRO 97 -4.337 -7.746 8.218 746 HB2 PRO 97 1HB PRO 97 -5.584 -9.882 9.916 747 HB3 PRO 97 2HB PRO 97 -6.356 -8.688 8.866 748 HG2 PRO 97 1HG PRO 97 -6.253 -11.253 8.137 749 HG3 PRO 97 2HG PRO 97 -6.018 -9.965 6.932 750 HD2 PRO 97 1HD PRO 97 -3.934 -11.658 8.323 751 HD3 PRO 97 2HD PRO 97 -4.063 -11.227 6.601 752 H ASN 98 H ASN 98 -4.880 -7.052 10.535 753 HA ASN 98 HA ASN 98 -4.111 -6.141 12.462 754 HB2 ASN 98 1HB ASN 98 -4.753 -8.550 13.090 755 HB3 ASN 98 2HB ASN 98 -3.037 -8.919 13.091 756 HD21 ASN 98 2HD2 ASN 98 -1.728 -8.039 14.776 757 HD22 ASN 98 1HD2 ASN 98 -2.425 -7.389 16.222 758 H GLN 99 H GLN 99 -2.415 -5.715 10.340 759 HA GLN 99 HA GLN 99 0.286 -5.572 11.605 760 HB2 GLN 99 1HB GLN 99 -0.353 -5.909 8.638 761 HB3 GLN 99 2HB GLN 99 1.259 -5.588 9.277 762 HG2 GLN 99 1HG GLN 99 -0.431 -8.055 9.768 763 HG3 GLN 99 2HG GLN 99 1.015 -7.950 8.765 764 HE21 GLN 99 2HE2 GLN 99 0.475 -9.689 11.051 765 HE22 GLN 99 1HE2 GLN 99 1.720 -9.375 12.204 766 H GLY 100 H GLY 100 -2.239 -3.682 11.167 767 HA2 GLY 100 1HA GLY 100 -2.185 -1.311 11.411 768 HA3 GLY 100 2HA GLY 100 -0.672 -1.260 10.510 769 H LEU 101 H LEU 101 -2.048 -3.373 8.777 770 HA LEU 101 HA LEU 101 -3.000 -1.717 6.677 771 HB2 LEU 101 1HB LEU 101 -2.703 -4.703 7.124 772 HB3 LEU 101 2HB LEU 101 -3.607 -4.129 5.736 773 HG LEU 101 HG LEU 101 -1.225 -4.682 5.174 774 HD11 LEU 101 1HD1 LEU 101 -2.483 -3.080 3.828 775 HD12 LEU 101 2HD1 LEU 101 -0.763 -2.697 3.859 776 HD13 LEU 101 3HD1 LEU 101 -1.895 -1.752 4.833 777 HD21 LEU 101 3HD2 LEU 101 -0.456 -2.349 6.957 778 HD22 LEU 101 1HD2 LEU 101 0.627 -3.305 5.943 779 HD23 LEU 101 2HD2 LEU 101 -0.174 -4.052 7.320 780 H VAL 102 H VAL 102 -5.077 -1.573 5.807 781 HA VAL 102 HA VAL 102 -7.284 -2.089 7.629 782 HB VAL 102 HB VAL 102 -8.716 -0.985 5.844 783 HG11 VAL 102 1HG1 VAL 102 -7.921 1.309 6.354 784 HG12 VAL 102 2HG1 VAL 102 -6.394 0.647 6.944 785 HG13 VAL 102 3HG1 VAL 102 -7.899 0.271 7.785 786 HG21 VAL 102 3HG2 VAL 102 -6.046 -0.334 4.531 787 HG22 VAL 102 1HG2 VAL 102 -7.614 0.348 4.080 788 HG23 VAL 102 2HG2 VAL 102 -7.302 -1.373 3.858 789 H CYS 103 H CYS 103 -6.755 -4.335 7.583 790 HA CYS 103 HA CYS 103 -7.626 -6.410 7.438 791 HB2 CYS 103 1HB CYS 103 -9.827 -5.325 7.039 792 HB3 CYS 103 2HB CYS 103 -9.505 -5.340 5.310 793 HG CYS 103 HG CYS 103 -9.404 -8.175 5.202 794 H ALA 104 H ALA 104 -5.459 -5.319 5.781 795 HA ALA 104 HA ALA 104 -3.747 -6.334 4.739 796 HB1 ALA 104 3HB ALA 104 -5.572 -8.711 4.265 797 HB2 ALA 104 1HB ALA 104 -4.472 -8.498 5.628 798 HB3 ALA 104 2HB ALA 104 -3.827 -8.666 3.996 799 H LEU 105 H LEU 105 -2.993 -6.965 2.566 800 HA LEU 105 HA LEU 105 -4.258 -5.453 0.477 801 HB2 LEU 105 1HB LEU 105 -1.894 -7.380 0.314 802 HB3 LEU 105 2HB LEU 105 -2.328 -6.161 -0.871 803 HG LEU 105 HG LEU 105 -1.116 -5.743 1.875 804 HD11 LEU 105 1HD1 LEU 105 0.461 -6.259 0.093 805 HD12 LEU 105 2HD1 LEU 105 0.666 -4.599 0.644 806 HD13 LEU 105 3HD1 LEU 105 -0.161 -4.925 -0.882 807 HD21 LEU 105 3HD2 LEU 105 -2.252 -3.561 0.106 808 HD22 LEU 105 1HD2 LEU 105 -1.274 -3.310 1.551 809 HD23 LEU 105 2HD2 LEU 105 -2.863 -4.056 1.683 810 H LEU 106 H LEU 106 -6.147 -6.316 -0.337 811 HA LEU 106 HA LEU 106 -6.365 -9.251 -0.711 812 HB2 LEU 106 1HB LEU 106 -8.594 -7.182 -0.542 813 HB3 LEU 106 2HB LEU 106 -8.812 -8.925 -0.656 814 HG LEU 106 HG LEU 106 -7.547 -7.441 1.689 815 HD11 LEU 106 1HD1 LEU 106 -9.547 -8.096 2.962 816 HD12 LEU 106 2HD1 LEU 106 -10.259 -8.794 1.506 817 HD13 LEU 106 3HD1 LEU 106 -9.955 -7.057 1.596 818 HD21 LEU 106 3HD2 LEU 106 -8.115 -10.412 1.378 819 HD22 LEU 106 1HD2 LEU 106 -7.545 -9.616 2.850 820 HD23 LEU 106 2HD2 LEU 106 -6.523 -9.648 1.418 821 H LEU 107 H LEU 107 -7.241 -6.185 -2.421 822 HA LEU 107 HA LEU 107 -7.361 -7.700 -4.987 823 HB2 LEU 107 1HB LEU 107 -8.777 -5.116 -4.227 824 HB3 LEU 107 2HB LEU 107 -8.713 -5.757 -5.856 825 HG LEU 107 HG LEU 107 -9.947 -7.810 -4.965 826 HD11 LEU 107 1HD1 LEU 107 -9.564 -7.562 -2.583 827 HD12 LEU 107 2HD1 LEU 107 -11.291 -7.551 -2.926 828 HD13 LEU 107 3HD1 LEU 107 -10.452 -6.039 -2.565 829 HD21 LEU 107 3HD2 LEU 107 -11.371 -5.127 -4.937 830 HD22 LEU 107 1HD2 LEU 107 -12.152 -6.705 -5.113 831 HD23 LEU 107 2HD2 LEU 107 -11.041 -6.129 -6.352 832 HA PRO 108 HA PRO 108 -3.764 -5.090 -5.931 833 HB2 PRO 108 1HB PRO 108 -3.052 -6.147 -8.296 834 HB3 PRO 108 2HB PRO 108 -2.991 -7.126 -6.819 835 HG2 PRO 108 1HG PRO 108 -5.118 -7.070 -8.968 836 HG3 PRO 108 2HG PRO 108 -4.357 -8.477 -8.189 837 HD2 PRO 108 1HD PRO 108 -6.809 -7.410 -7.432 838 HD3 PRO 108 2HD PRO 108 -5.769 -8.368 -6.358 839 H VAL 109 H VAL 109 -6.758 -4.514 -7.029 840 HA VAL 109 HA VAL 109 -7.887 -3.056 -8.230 841 HB VAL 109 HB VAL 109 -5.250 -1.603 -8.763 842 HG11 VAL 109 1HG1 VAL 109 -8.113 -0.584 -9.084 843 HG12 VAL 109 2HG1 VAL 109 -6.995 -0.962 -10.396 844 HG13 VAL 109 3HG1 VAL 109 -6.643 0.375 -9.303 845 HG21 VAL 109 3HG2 VAL 109 -5.744 -1.792 -6.350 846 HG22 VAL 109 1HG2 VAL 109 -7.347 -1.093 -6.601 847 HG23 VAL 109 2HG2 VAL 109 -5.899 -0.123 -6.889 Start of MODEL 4 1 H1 MET 1 1H MET 1 -22.217 1.769 -35.958 2 H2 MET 1 2H MET 1 -21.777 0.294 -36.645 3 H3 MET 1 3H MET 1 -20.782 1.643 -36.847 4 HA MET 1 HA MET 1 -19.887 0.106 -35.230 5 HB2 MET 1 1HB MET 1 -19.451 1.740 -33.436 6 HB3 MET 1 2HB MET 1 -19.397 2.536 -35.002 7 HG2 MET 1 1HG MET 1 -21.705 2.657 -33.036 8 HG3 MET 1 2HG MET 1 -20.521 3.930 -33.315 9 HE1 MET 1 3HE MET 1 -20.205 3.971 -36.475 10 HE2 MET 1 1HE MET 1 -20.454 5.440 -35.532 11 HE3 MET 1 2HE MET 1 -21.458 5.117 -36.946 12 H GLY 2 H GLY 2 -20.052 -0.749 -33.037 13 HA2 GLY 2 1HA GLY 2 -22.726 -0.891 -31.797 14 HA3 GLY 2 2HA GLY 2 -21.896 -2.392 -32.208 15 H HIS 3 H HIS 3 -22.592 -0.811 -29.595 16 HA HIS 3 HA HIS 3 -20.081 -0.039 -28.448 17 HB2 HIS 3 1HB HIS 3 -22.364 0.912 -27.798 18 HB3 HIS 3 2HB HIS 3 -22.671 -0.585 -26.925 19 HD1 HIS 3 HD1 HIS 3 -20.839 2.634 -26.719 20 HD2 HIS 3 HD2 HIS 3 -21.055 -0.908 -24.559 21 HE1 HIS 3 HE1 HIS 3 -19.759 3.132 -24.511 22 HE2 HIS 3 HE2 HIS 3 -19.969 1.000 -23.187 23 H HIS 4 H HIS 4 -18.593 -1.362 -27.688 24 HA HIS 4 HA HIS 4 -19.241 -4.086 -26.746 25 HB2 HIS 4 1HB HIS 4 -16.606 -2.757 -27.525 26 HB3 HIS 4 2HB HIS 4 -16.678 -4.334 -26.743 27 HD1 HIS 4 HD1 HIS 4 -17.003 -6.313 -28.226 28 HD2 HIS 4 HD2 HIS 4 -17.859 -2.744 -30.166 29 HE1 HIS 4 HE1 HIS 4 -17.418 -6.936 -30.623 30 HE2 HIS 4 HE2 HIS 4 -18.160 -4.792 -31.717 31 H HIS 5 H HIS 5 -18.596 -4.797 -24.680 32 HA HIS 5 HA HIS 5 -18.585 -2.884 -22.542 33 HB2 HIS 5 1HB HIS 5 -18.059 -5.894 -22.561 34 HB3 HIS 5 2HB HIS 5 -18.109 -4.928 -21.087 35 HD1 HIS 5 HD1 HIS 5 -20.154 -7.202 -22.658 36 HD2 HIS 5 HD2 HIS 5 -20.847 -3.334 -21.299 37 HE1 HIS 5 HE1 HIS 5 -22.633 -7.063 -22.278 38 HE2 HIS 5 HE2 HIS 5 -23.003 -4.765 -21.308 39 H HIS 6 H HIS 6 -16.859 -2.680 -20.924 40 HA HIS 6 HA HIS 6 -14.355 -2.026 -22.100 41 HB2 HIS 6 1HB HIS 6 -13.666 -1.287 -19.916 42 HB3 HIS 6 2HB HIS 6 -15.376 -0.901 -20.054 43 HD1 HIS 6 HD1 HIS 6 -12.952 -2.683 -17.970 44 HD2 HIS 6 HD2 HIS 6 -17.074 -2.700 -18.473 45 HE1 HIS 6 HE1 HIS 6 -13.871 -3.884 -15.968 46 HE2 HIS 6 HE2 HIS 6 -16.338 -4.043 -16.385 47 H HIS 7 H HIS 7 -12.268 -2.960 -21.768 48 HA HIS 7 HA HIS 7 -12.079 -5.808 -21.404 49 HB2 HIS 7 1HB HIS 7 -10.004 -3.600 -21.649 50 HB3 HIS 7 2HB HIS 7 -9.520 -5.247 -21.272 51 HD1 HIS 7 HD1 HIS 7 -9.342 -6.866 -23.171 52 HD2 HIS 7 HD2 HIS 7 -11.156 -3.308 -24.304 53 HE1 HIS 7 HE1 HIS 7 -9.472 -6.951 -25.672 54 HE2 HIS 7 HE2 HIS 7 -10.744 -4.879 -26.318 55 H HIS 8 H HIS 8 -11.027 -6.931 -19.655 56 HA HIS 8 HA HIS 8 -11.710 -6.028 -17.045 57 HB2 HIS 8 1HB HIS 8 -10.652 -8.074 -16.224 58 HB3 HIS 8 2HB HIS 8 -11.571 -8.443 -17.676 59 HD1 HIS 8 HD1 HIS 8 -8.048 -8.265 -16.371 60 HD2 HIS 8 HD2 HIS 8 -10.037 -9.358 -19.847 61 HE1 HIS 8 HE1 HIS 8 -6.335 -9.438 -17.783 62 HE2 HIS 8 HE2 HIS 8 -7.613 -10.244 -19.798 63 H SER 9 H SER 9 -10.092 -5.905 -15.195 64 HA SER 9 HA SER 9 -8.244 -3.819 -15.616 65 HB2 SER 9 1HB SER 9 -8.485 -5.738 -13.257 66 HB3 SER 9 2HB SER 9 -7.528 -4.253 -13.254 67 HG SER 9 HG SER 9 -9.888 -4.335 -12.468 68 H HIS 10 H HIS 10 -6.315 -3.894 -16.555 69 HA HIS 10 HA HIS 10 -4.781 -6.221 -17.141 70 HB2 HIS 10 1HB HIS 10 -4.598 -4.120 -18.455 71 HB3 HIS 10 2HB HIS 10 -3.971 -3.265 -17.050 72 HD1 HIS 10 HD1 HIS 10 -1.474 -3.446 -16.602 73 HD2 HIS 10 HD2 HIS 10 -2.741 -5.980 -19.642 74 HE1 HIS 10 HE1 HIS 10 0.622 -4.298 -17.677 75 HE2 HIS 10 HE2 HIS 10 -0.164 -5.970 -19.379 76 H MET 11 H MET 11 -4.009 -7.451 -15.501 77 HA MET 11 HA MET 11 -3.820 -6.488 -12.826 78 HB2 MET 11 1HB MET 11 -3.119 -9.189 -14.025 79 HB3 MET 11 2HB MET 11 -3.076 -8.841 -12.298 80 HG2 MET 11 1HG MET 11 -5.519 -8.694 -14.080 81 HG3 MET 11 2HG MET 11 -5.158 -9.962 -12.904 82 HE1 MET 11 3HE MET 11 -3.935 -8.241 -10.457 83 HE2 MET 11 1HE MET 11 -5.125 -9.522 -10.215 84 HE3 MET 11 2HE MET 11 -5.387 -7.930 -9.505 85 H SER 12 H SER 12 -2.300 -4.887 -12.980 86 HA SER 12 HA SER 12 0.397 -5.626 -12.268 87 HB2 SER 12 1HB SER 12 -0.096 -3.767 -14.660 88 HB3 SER 12 2HB SER 12 1.474 -4.070 -13.912 89 HG SER 12 HG SER 12 0.841 -6.405 -14.459 90 H TRP 13 H TRP 13 0.397 -4.526 -10.290 91 HA TRP 13 HA TRP 13 -1.623 -2.470 -9.900 92 HB2 TRP 13 1HB TRP 13 -0.762 -2.808 -7.390 93 HB3 TRP 13 2HB TRP 13 -1.812 -3.988 -8.160 94 HD1 TRP 13 HD1 TRP 13 -1.043 -6.421 -7.992 95 HE1 TRP 13 HE1 TRP 13 1.130 -7.649 -7.447 96 HE3 TRP 13 HE3 TRP 13 2.143 -2.417 -7.669 97 HZ2 TRP 13 HZ2 TRP 13 3.827 -7.059 -6.964 98 HZ3 TRP 13 HZ3 TRP 13 4.514 -2.848 -7.164 99 HH2 TRP 13 HH2 TRP 13 5.336 -5.124 -6.815 100 H TYR 14 H TYR 14 1.351 -1.996 -11.073 101 HA TYR 14 HA TYR 14 2.199 0.019 -9.059 102 HB2 TYR 14 1HB TYR 14 3.905 -1.781 -9.307 103 HB3 TYR 14 2HB TYR 14 4.002 -1.459 -11.035 104 HD1 TYR 14 HD1 TYR 14 4.087 0.632 -7.904 105 HD2 TYR 14 HD2 TYR 14 5.970 -0.298 -11.622 106 HE1 TYR 14 HE1 TYR 14 5.808 2.314 -7.448 107 HE2 TYR 14 HE2 TYR 14 7.696 1.384 -11.169 108 HH TYR 14 HH TYR 14 7.968 3.429 -9.811 109 H HIS 15 H HIS 15 1.148 1.787 -9.832 110 HA HIS 15 HA HIS 15 1.501 2.600 -12.647 111 HB2 HIS 15 1HB HIS 15 -0.604 3.746 -10.756 112 HB3 HIS 15 2HB HIS 15 -0.594 3.753 -12.519 113 HD1 HIS 15 HD1 HIS 15 -1.141 1.402 -13.678 114 HD2 HIS 15 HD2 HIS 15 -1.914 1.621 -9.602 115 HE1 HIS 15 HE1 HIS 15 -2.606 -0.570 -13.162 116 HE2 HIS 15 HE2 HIS 15 -3.064 -0.416 -10.696 117 H ARG 16 H ARG 16 3.545 3.545 -12.283 118 HA ARG 16 HA ARG 16 3.876 5.564 -10.210 119 HB2 ARG 16 1HB ARG 16 6.219 5.798 -11.265 120 HB3 ARG 16 2HB ARG 16 5.821 4.299 -10.456 121 HG2 ARG 16 1HG ARG 16 6.855 3.420 -12.290 122 HG3 ARG 16 2HG ARG 16 5.222 3.501 -12.935 123 HD2 ARG 16 1HD ARG 16 7.001 5.875 -13.392 124 HD3 ARG 16 2HD ARG 16 7.377 4.402 -14.280 125 HE ARG 16 HE ARG 16 4.636 5.457 -14.429 126 HH11 ARG 16 1HH1 ARG 16 7.768 5.109 -16.023 127 HH12 ARG 16 2HH1 ARG 16 7.115 5.357 -17.606 128 HH21 ARG 16 1HH2 ARG 16 3.822 5.755 -16.524 129 HH22 ARG 16 2HH2 ARG 16 4.896 5.745 -17.888 130 H ASP 17 H ASP 17 1.862 6.435 -11.421 131 HA ASP 17 HA ASP 17 2.547 8.780 -13.014 132 HB2 ASP 17 1HB ASP 17 0.430 6.751 -13.918 133 HB3 ASP 17 2HB ASP 17 0.743 8.313 -14.673 134 H LEU 18 H LEU 18 0.748 7.191 -10.601 135 HA LEU 18 HA LEU 18 -1.607 8.976 -10.821 136 HB2 LEU 18 1HB LEU 18 -1.973 6.518 -11.315 137 HB3 LEU 18 2HB LEU 18 -1.498 6.157 -9.663 138 HG LEU 18 HG LEU 18 -3.459 7.449 -8.821 139 HD11 LEU 18 1HD1 LEU 18 -4.232 7.782 -11.737 140 HD12 LEU 18 2HD1 LEU 18 -3.740 9.065 -10.628 141 HD13 LEU 18 3HD1 LEU 18 -5.239 8.186 -10.343 142 HD21 LEU 18 3HD2 LEU 18 -5.216 5.851 -9.473 143 HD22 LEU 18 1HD2 LEU 18 -3.693 5.030 -9.133 144 HD23 LEU 18 2HD2 LEU 18 -4.210 5.272 -10.803 145 H SER 19 H SER 19 -0.928 10.585 -9.430 146 HA SER 19 HA SER 19 0.167 10.655 -6.969 147 HB2 SER 19 1HB SER 19 -1.254 12.692 -6.547 148 HB3 SER 19 2HB SER 19 -0.526 12.670 -8.154 149 HG SER 19 HG SER 19 -2.463 12.326 -9.053 150 H ARG 20 H ARG 20 -0.783 10.950 -4.764 151 HA ARG 20 HA ARG 20 -2.047 8.502 -4.021 152 HB2 ARG 20 1HB ARG 20 -1.927 9.339 -1.689 153 HB3 ARG 20 2HB ARG 20 -0.400 9.461 -2.543 154 HG2 ARG 20 1HG ARG 20 -0.245 11.683 -2.138 155 HG3 ARG 20 2HG ARG 20 -1.845 11.987 -2.810 156 HD2 ARG 20 1HD ARG 20 -1.333 11.052 0.039 157 HD3 ARG 20 2HD ARG 20 -1.558 12.742 -0.432 158 HE ARG 20 HE ARG 20 -3.597 10.609 -0.448 159 HH11 ARG 20 1HH1 ARG 20 -2.860 14.022 -0.795 160 HH12 ARG 20 2HH1 ARG 20 -4.524 14.490 -0.861 161 HH21 ARG 20 1HH2 ARG 20 -5.764 11.253 -0.583 162 HH22 ARG 20 2HH2 ARG 20 -6.164 12.937 -0.703 163 H ALA 21 H ALA 21 -3.217 11.838 -4.203 164 HA ALA 21 HA ALA 21 -5.754 11.516 -3.041 165 HB1 ALA 21 3HB ALA 21 -6.350 13.608 -4.210 166 HB2 ALA 21 1HB ALA 21 -4.913 13.461 -5.227 167 HB3 ALA 21 2HB ALA 21 -4.742 13.723 -3.491 168 H ALA 22 H ALA 22 -4.776 11.400 -6.474 169 HA ALA 22 HA ALA 22 -7.345 10.597 -7.456 170 HB1 ALA 22 3HB ALA 22 -5.750 11.855 -8.825 171 HB2 ALA 22 1HB ALA 22 -6.202 10.337 -9.606 172 HB3 ALA 22 2HB ALA 22 -4.636 10.485 -8.799 173 H ALA 23 H ALA 23 -4.669 8.868 -6.099 174 HA ALA 23 HA ALA 23 -5.107 6.301 -7.247 175 HB1 ALA 23 3HB ALA 23 -3.791 7.005 -4.604 176 HB2 ALA 23 1HB ALA 23 -2.977 6.930 -6.167 177 HB3 ALA 23 2HB ALA 23 -3.656 5.466 -5.455 178 H GLU 24 H GLU 24 -5.961 7.635 -4.023 179 HA GLU 24 HA GLU 24 -7.546 5.387 -3.226 180 HB2 GLU 24 1HB GLU 24 -8.196 6.794 -1.288 181 HB3 GLU 24 2HB GLU 24 -6.459 6.792 -1.563 182 HG2 GLU 24 1HG GLU 24 -6.645 9.002 -2.680 183 HG3 GLU 24 2HG GLU 24 -8.368 9.028 -2.323 184 H GLU 25 H GLU 25 -8.238 8.367 -4.900 185 HA GLU 25 HA GLU 25 -11.072 8.388 -4.795 186 HB2 GLU 25 1HB GLU 25 -9.318 10.185 -5.639 187 HB3 GLU 25 2HB GLU 25 -9.445 9.363 -7.186 188 HG2 GLU 25 1HG GLU 25 -11.687 10.715 -5.660 189 HG3 GLU 25 2HG GLU 25 -10.852 11.369 -7.066 190 H LEU 26 H LEU 26 -8.802 7.182 -7.258 191 HA LEU 26 HA LEU 26 -10.599 5.780 -8.884 192 HB2 LEU 26 1HB LEU 26 -8.198 6.436 -9.418 193 HB3 LEU 26 2HB LEU 26 -7.659 5.090 -8.448 194 HG LEU 26 HG LEU 26 -7.644 4.807 -11.009 195 HD11 LEU 26 1HD1 LEU 26 -7.326 2.902 -9.538 196 HD12 LEU 26 2HD1 LEU 26 -8.251 2.450 -10.966 197 HD13 LEU 26 3HD1 LEU 26 -9.071 2.668 -9.416 198 HD21 LEU 26 3HD2 LEU 26 -10.631 4.449 -10.629 199 HD22 LEU 26 1HD2 LEU 26 -9.718 4.171 -12.116 200 HD23 LEU 26 2HD2 LEU 26 -9.845 5.798 -11.454 201 H LEU 27 H LEU 27 -8.964 4.764 -5.926 202 HA LEU 27 HA LEU 27 -9.594 1.963 -6.109 203 HB2 LEU 27 1HB LEU 27 -8.826 3.666 -3.714 204 HB3 LEU 27 2HB LEU 27 -9.132 1.938 -3.590 205 HG LEU 27 HG LEU 27 -6.888 3.271 -5.157 206 HD11 LEU 27 1HD1 LEU 27 -5.415 2.140 -3.581 207 HD12 LEU 27 2HD1 LEU 27 -6.807 1.484 -2.717 208 HD13 LEU 27 3HD1 LEU 27 -6.529 3.228 -2.754 209 HD21 LEU 27 3HD2 LEU 27 -7.662 1.327 -6.434 210 HD22 LEU 27 1HD2 LEU 27 -7.539 0.303 -5.002 211 HD23 LEU 27 2HD2 LEU 27 -6.088 1.002 -5.720 212 H ALA 28 H ALA 28 -11.200 4.781 -4.784 213 HA ALA 28 HA ALA 28 -13.306 3.473 -3.389 214 HB1 ALA 28 3HB ALA 28 -12.655 5.799 -2.935 215 HB2 ALA 28 1HB ALA 28 -14.373 5.693 -3.344 216 HB3 ALA 28 2HB ALA 28 -13.211 6.278 -4.540 217 H ARG 29 H ARG 29 -12.947 4.587 -6.723 218 HA ARG 29 HA ARG 29 -15.721 4.078 -7.436 219 HB2 ARG 29 1HB ARG 29 -13.312 4.891 -9.107 220 HB3 ARG 29 2HB ARG 29 -14.949 4.723 -9.748 221 HG2 ARG 29 1HG ARG 29 -15.688 6.486 -8.090 222 HG3 ARG 29 2HG ARG 29 -13.985 6.733 -7.681 223 HD2 ARG 29 1HD ARG 29 -13.488 7.442 -9.943 224 HD3 ARG 29 2HD ARG 29 -15.113 7.011 -10.490 225 HE ARG 29 HE ARG 29 -15.153 8.928 -8.367 226 HH11 ARG 29 1HH1 ARG 29 -14.649 8.699 -11.838 227 HH12 ARG 29 2HH1 ARG 29 -15.170 10.326 -12.130 228 HH21 ARG 29 1HH2 ARG 29 -15.816 11.021 -8.746 229 HH22 ARG 29 2HH2 ARG 29 -15.810 11.662 -10.357 230 H ALA 30 H ALA 30 -12.590 2.527 -8.009 231 HA ALA 30 HA ALA 30 -13.606 0.771 -10.065 232 HB1 ALA 30 3HB ALA 30 -11.299 -0.051 -10.229 233 HB2 ALA 30 1HB ALA 30 -10.852 0.868 -8.785 234 HB3 ALA 30 2HB ALA 30 -11.351 1.712 -10.252 235 H GLY 31 H GLY 31 -12.062 0.215 -6.870 236 HA2 GLY 31 1HA GLY 31 -13.007 -2.595 -6.894 237 HA3 GLY 31 2HA GLY 31 -11.727 -1.931 -5.889 238 H ARG 32 H ARG 32 -13.115 0.343 -5.053 239 HA ARG 32 HA ARG 32 -14.360 1.231 -3.462 240 HB2 ARG 32 1HB ARG 32 -16.166 0.335 -5.041 241 HB3 ARG 32 2HB ARG 32 -16.381 -0.994 -3.908 242 HG2 ARG 32 1HG ARG 32 -17.066 0.573 -2.151 243 HG3 ARG 32 2HG ARG 32 -16.744 1.941 -3.210 244 HD2 ARG 32 1HD ARG 32 -18.894 -0.160 -3.575 245 HD3 ARG 32 2HD ARG 32 -19.142 1.524 -3.105 246 HE ARG 32 HE ARG 32 -18.058 0.710 -5.744 247 HH11 ARG 32 1HH1 ARG 32 -20.139 2.804 -3.885 248 HH12 ARG 32 2HH1 ARG 32 -20.786 3.592 -5.284 249 HH21 ARG 32 1HH2 ARG 32 -18.907 1.746 -7.566 250 HH22 ARG 32 2HH2 ARG 32 -20.105 2.984 -7.372 251 H ASP 33 H ASP 33 -12.738 -1.629 -2.737 252 HA ASP 33 HA ASP 33 -13.183 -1.840 -0.012 253 HB2 ASP 33 1HB ASP 33 -14.812 -3.868 -1.630 254 HB3 ASP 33 2HB ASP 33 -14.316 -4.161 0.032 255 H GLY 34 H GLY 34 -11.288 -2.850 0.667 256 HA2 GLY 34 1HA GLY 34 -9.471 -4.204 0.735 257 HA3 GLY 34 2HA GLY 34 -10.306 -5.290 -0.362 258 H SER 35 H SER 35 -9.853 -2.070 -1.467 259 HA SER 35 HA SER 35 -8.423 -3.095 -3.771 260 HB2 SER 35 1HB SER 35 -9.410 -0.262 -3.236 261 HB3 SER 35 2HB SER 35 -9.103 -1.031 -4.801 262 HG SER 35 HG SER 35 -10.818 -2.603 -3.680 263 H PHE 36 H PHE 36 -6.317 -2.450 -4.399 264 HA PHE 36 HA PHE 36 -4.988 -0.290 -3.022 265 HB2 PHE 36 1HB PHE 36 -3.120 -1.494 -2.142 266 HB3 PHE 36 2HB PHE 36 -4.550 -2.329 -1.565 267 HD1 PHE 36 HD2 PHE 36 -5.190 -4.556 -2.623 268 HD2 PHE 36 HD1 PHE 36 -1.456 -2.637 -3.468 269 HE1 PHE 36 HE2 PHE 36 -4.273 -6.677 -3.457 270 HE2 PHE 36 HE1 PHE 36 -0.552 -4.767 -4.298 271 HZ PHE 36 HZ PHE 36 -1.960 -6.785 -4.291 272 H LEU 37 H LEU 37 -3.165 0.470 -4.068 273 HA LEU 37 HA LEU 37 -1.993 -0.978 -6.282 274 HB2 LEU 37 1HB LEU 37 -2.172 0.888 -7.889 275 HB3 LEU 37 2HB LEU 37 -3.742 0.263 -7.438 276 HG LEU 37 HG LEU 37 -3.754 2.331 -5.755 277 HD11 LEU 37 1HD1 LEU 37 -2.653 4.334 -6.638 278 HD12 LEU 37 2HD1 LEU 37 -1.851 3.367 -7.876 279 HD13 LEU 37 3HD1 LEU 37 -1.473 3.112 -6.172 280 HD21 LEU 37 3HD2 LEU 37 -4.931 3.681 -7.418 281 HD22 LEU 37 1HD2 LEU 37 -5.382 1.983 -7.559 282 HD23 LEU 37 2HD2 LEU 37 -4.264 2.696 -8.722 283 H VAL 38 H VAL 38 0.065 -0.106 -6.836 284 HA VAL 38 HA VAL 38 1.363 1.456 -4.702 285 HB VAL 38 HB VAL 38 2.702 -0.532 -6.610 286 HG11 VAL 38 1HG1 VAL 38 4.660 -0.344 -5.069 287 HG12 VAL 38 2HG1 VAL 38 3.802 0.882 -4.134 288 HG13 VAL 38 3HG1 VAL 38 4.266 1.214 -5.807 289 HG21 VAL 38 3HG2 VAL 38 1.971 -0.946 -3.678 290 HG22 VAL 38 1HG2 VAL 38 2.875 -2.081 -4.685 291 HG23 VAL 38 2HG2 VAL 38 1.183 -1.730 -5.051 292 H ARG 39 H ARG 39 2.710 3.074 -5.380 293 HA ARG 39 HA ARG 39 2.838 3.930 -8.173 294 HB2 ARG 39 1HB ARG 39 2.272 6.308 -7.367 295 HB3 ARG 39 2HB ARG 39 0.916 5.187 -7.425 296 HG2 ARG 39 1HG ARG 39 0.932 4.907 -5.028 297 HG3 ARG 39 2HG ARG 39 2.453 5.782 -4.871 298 HD2 ARG 39 1HD ARG 39 -0.156 7.020 -5.824 299 HD3 ARG 39 2HD ARG 39 0.451 7.105 -4.165 300 HE ARG 39 HE ARG 39 1.749 8.327 -6.541 301 HH11 ARG 39 1HH1 ARG 39 1.189 8.358 -3.066 302 HH12 ARG 39 2HH1 ARG 39 2.163 9.765 -2.805 303 HH21 ARG 39 1HH2 ARG 39 3.034 10.180 -6.148 304 HH22 ARG 39 2HH2 ARG 39 3.189 10.792 -4.533 305 H ASP 40 H ASP 40 4.266 6.075 -8.095 306 HA ASP 40 HA ASP 40 6.693 5.499 -6.530 307 HB2 ASP 40 1HB ASP 40 7.819 7.114 -7.977 308 HB3 ASP 40 2HB ASP 40 6.904 6.010 -8.994 309 H SER 41 H SER 41 7.507 6.955 -5.011 310 HA SER 41 HA SER 41 5.824 8.664 -3.552 311 HB2 SER 41 1HB SER 41 8.863 8.685 -3.719 312 HB3 SER 41 2HB SER 41 7.901 9.410 -2.425 313 HG SER 41 HG SER 41 7.212 6.824 -2.824 314 H GLU 42 H GLU 42 5.607 10.889 -3.499 315 HA GLU 42 HA GLU 42 4.804 12.126 -5.698 316 HB2 GLU 42 1HB GLU 42 6.004 13.584 -3.320 317 HB3 GLU 42 2HB GLU 42 4.981 14.332 -4.536 318 HG2 GLU 42 1HG GLU 42 3.557 13.952 -2.718 319 HG3 GLU 42 2HG GLU 42 3.166 12.669 -3.857 320 H SER 43 H SER 43 8.073 12.924 -4.371 321 HA SER 43 HA SER 43 9.032 13.454 -7.106 322 HB2 SER 43 1HB SER 43 9.312 15.434 -4.789 323 HB3 SER 43 2HB SER 43 10.067 15.614 -6.377 324 HG SER 43 HG SER 43 7.759 15.409 -7.156 325 H VAL 44 H VAL 44 9.418 11.284 -5.141 326 HA VAL 44 HA VAL 44 12.306 11.574 -4.507 327 HB VAL 44 HB VAL 44 10.374 9.556 -3.278 328 HG11 VAL 44 1HG1 VAL 44 12.728 8.847 -3.208 329 HG12 VAL 44 2HG1 VAL 44 12.149 9.226 -1.583 330 HG13 VAL 44 3HG1 VAL 44 13.186 10.372 -2.442 331 HG21 VAL 44 3HG2 VAL 44 9.664 11.833 -2.640 332 HG22 VAL 44 1HG2 VAL 44 11.296 12.195 -2.070 333 HG23 VAL 44 2HG2 VAL 44 10.326 10.967 -1.253 334 H ALA 45 H ALA 45 13.499 10.659 -5.986 335 HA ALA 45 HA ALA 45 12.646 8.873 -8.007 336 HB1 ALA 45 3HB ALA 45 14.524 10.426 -8.332 337 HB2 ALA 45 1HB ALA 45 15.003 8.765 -8.692 338 HB3 ALA 45 2HB ALA 45 15.489 9.518 -7.168 339 H GLY 46 H GLY 46 12.151 6.758 -7.753 340 HA2 GLY 46 1HA GLY 46 12.702 4.509 -7.607 341 HA3 GLY 46 2HA GLY 46 14.165 4.918 -6.735 342 H ALA 47 H ALA 47 11.754 6.517 -5.137 343 HA ALA 47 HA ALA 47 11.366 4.378 -3.157 344 HB1 ALA 47 3HB ALA 47 10.464 6.149 -1.712 345 HB2 ALA 47 1HB ALA 47 10.607 7.317 -3.032 346 HB3 ALA 47 2HB ALA 47 12.056 6.594 -2.332 347 H PHE 48 H PHE 48 9.241 3.976 -2.328 348 HA PHE 48 HA PHE 48 7.196 4.041 -4.492 349 HB2 PHE 48 1HB PHE 48 7.476 1.947 -2.287 350 HB3 PHE 48 2HB PHE 48 6.313 1.931 -3.601 351 HD1 PHE 48 HD2 PHE 48 9.852 1.377 -2.698 352 HD2 PHE 48 HD1 PHE 48 6.960 1.222 -5.855 353 HE1 PHE 48 HE2 PHE 48 11.399 0.028 -4.055 354 HE2 PHE 48 HE1 PHE 48 8.516 -0.125 -7.208 355 HZ PHE 48 HZ PHE 48 10.734 -0.729 -6.309 356 H ALA 49 H ALA 49 5.044 4.297 -3.884 357 HA ALA 49 HA ALA 49 4.355 4.745 -1.056 358 HB1 ALA 49 3HB ALA 49 4.417 6.963 -2.119 359 HB2 ALA 49 1HB ALA 49 2.744 6.514 -1.775 360 HB3 ALA 49 2HB ALA 49 3.369 6.402 -3.423 361 H LEU 50 H LEU 50 2.259 3.959 -0.566 362 HA LEU 50 HA LEU 50 0.994 2.160 -2.547 363 HB2 LEU 50 1HB LEU 50 2.351 0.795 -1.030 364 HB3 LEU 50 2HB LEU 50 1.703 1.624 0.373 365 HG LEU 50 HG LEU 50 -0.501 0.557 -0.005 366 HD11 LEU 50 1HD1 LEU 50 -0.453 0.290 -2.438 367 HD12 LEU 50 2HD1 LEU 50 -0.821 -1.231 -1.628 368 HD13 LEU 50 3HD1 LEU 50 0.793 -0.952 -2.284 369 HD21 LEU 50 3HD2 LEU 50 1.770 -1.453 0.111 370 HD22 LEU 50 1HD2 LEU 50 0.105 -1.733 0.636 371 HD23 LEU 50 2HD2 LEU 50 1.107 -0.551 1.479 372 H CYS 51 H CYS 51 -1.228 2.336 -2.572 373 HA CYS 51 HA CYS 51 -2.575 3.874 -0.436 374 HB2 CYS 51 1HB CYS 51 -2.430 5.131 -2.596 375 HB3 CYS 51 2HB CYS 51 -3.235 3.795 -3.418 376 HG CYS 51 HG CYS 51 -5.515 4.897 -3.162 377 H VAL 52 H VAL 52 -4.220 2.761 0.532 378 HA VAL 52 HA VAL 52 -5.387 0.365 -0.763 379 HB VAL 52 HB VAL 52 -4.496 0.311 2.169 380 HG11 VAL 52 1HG1 VAL 52 -4.851 -2.110 1.986 381 HG12 VAL 52 2HG1 VAL 52 -5.307 -1.930 0.286 382 HG13 VAL 52 3HG1 VAL 52 -6.320 -1.227 1.554 383 HG21 VAL 52 3HG2 VAL 52 -2.444 0.472 0.827 384 HG22 VAL 52 1HG2 VAL 52 -2.975 -0.882 -0.177 385 HG23 VAL 52 2HG2 VAL 52 -2.602 -1.138 1.530 386 H LEU 53 H LEU 53 -7.602 0.075 -0.250 387 HA LEU 53 HA LEU 53 -8.896 1.815 1.749 388 HB2 LEU 53 1HB LEU 53 -9.318 2.860 -0.394 389 HB3 LEU 53 2HB LEU 53 -9.671 1.319 -1.149 390 HG LEU 53 HG LEU 53 -11.758 1.163 0.280 391 HD11 LEU 53 1HD1 LEU 53 -12.652 3.173 1.354 392 HD12 LEU 53 2HD1 LEU 53 -11.162 4.046 0.994 393 HD13 LEU 53 3HD1 LEU 53 -11.134 2.673 2.102 394 HD21 LEU 53 3HD2 LEU 53 -13.079 2.694 -1.083 395 HD22 LEU 53 1HD2 LEU 53 -11.861 1.871 -2.057 396 HD23 LEU 53 2HD2 LEU 53 -11.616 3.552 -1.573 397 H TYR 54 H TYR 54 -9.796 0.346 3.288 398 HA TYR 54 HA TYR 54 -11.790 -1.534 2.219 399 HB2 TYR 54 1HB TYR 54 -9.697 -2.815 2.767 400 HB3 TYR 54 2HB TYR 54 -9.755 -2.194 4.411 401 HD1 TYR 54 HD2 TYR 54 -11.377 -4.502 1.992 402 HD2 TYR 54 HD1 TYR 54 -11.244 -3.217 6.066 403 HE1 TYR 54 HE2 TYR 54 -12.711 -6.453 2.651 404 HE2 TYR 54 HE1 TYR 54 -12.568 -5.179 6.728 405 HH TYR 54 HH TYR 54 -14.135 -6.774 5.738 406 H GLN 55 H GLN 55 -13.528 -1.853 3.666 407 HA GLN 55 HA GLN 55 -15.250 -1.011 4.899 408 HB2 GLN 55 1HB GLN 55 -13.763 -2.297 6.541 409 HB3 GLN 55 2HB GLN 55 -13.126 -0.744 7.068 410 HG2 GLN 55 1HG GLN 55 -15.545 -0.095 7.628 411 HG3 GLN 55 2HG GLN 55 -15.958 -1.792 7.381 412 HE21 GLN 55 2HE2 GLN 55 -16.228 -0.231 9.764 413 HE22 GLN 55 1HE2 GLN 55 -15.271 -0.983 10.992 414 H LYS 56 H LYS 56 -14.518 0.971 3.276 415 HA LYS 56 HA LYS 56 -14.424 3.161 2.805 416 HB2 LYS 56 1HB LYS 56 -15.954 3.356 5.434 417 HB3 LYS 56 2HB LYS 56 -15.915 4.606 4.188 418 HG2 LYS 56 1HG LYS 56 -17.072 1.808 3.875 419 HG3 LYS 56 2HG LYS 56 -18.003 3.290 4.115 420 HD2 LYS 56 1HD LYS 56 -16.211 2.695 1.720 421 HD3 LYS 56 2HD LYS 56 -17.967 2.539 1.731 422 HE2 LYS 56 1HE LYS 56 -18.156 4.987 2.162 423 HE3 LYS 56 2HE LYS 56 -16.398 5.119 2.109 424 HZ1 LYS 56 3HZ LYS 56 -16.408 4.493 -0.164 425 HZ2 LYS 56 1HZ LYS 56 -17.531 5.740 0.042 426 HZ3 LYS 56 2HZ LYS 56 -18.061 4.147 -0.132 427 H HIS 57 H HIS 57 -12.159 2.130 4.269 428 HA HIS 57 HA HIS 57 -11.149 4.527 5.709 429 HB2 HIS 57 1HB HIS 57 -11.664 2.576 7.247 430 HB3 HIS 57 2HB HIS 57 -10.482 1.614 6.379 431 HD1 HIS 57 HD1 HIS 57 -10.796 3.511 9.344 432 HD2 HIS 57 HD2 HIS 57 -7.754 3.006 6.557 433 HE1 HIS 57 HE1 HIS 57 -8.686 4.194 10.521 434 HE2 HIS 57 HE2 HIS 57 -6.848 3.767 8.852 435 H VAL 58 H VAL 58 -9.835 5.417 4.230 436 HA VAL 58 HA VAL 58 -8.043 3.862 2.549 437 HB VAL 58 HB VAL 58 -8.204 6.894 2.920 438 HG11 VAL 58 1HG1 VAL 58 -6.720 5.256 0.814 439 HG12 VAL 58 2HG1 VAL 58 -5.972 6.196 2.110 440 HG13 VAL 58 3HG1 VAL 58 -6.859 7.018 0.824 441 HG21 VAL 58 3HG2 VAL 58 -9.386 6.913 0.735 442 HG22 VAL 58 1HG2 VAL 58 -10.289 6.000 1.950 443 HG23 VAL 58 2HG2 VAL 58 -9.362 5.148 0.712 444 H HIS 59 H HIS 59 -5.979 3.481 2.994 445 HA HIS 59 HA HIS 59 -4.512 4.848 5.108 446 HB2 HIS 59 1HB HIS 59 -5.513 2.594 5.989 447 HB3 HIS 59 2HB HIS 59 -4.380 1.798 4.902 448 HD1 HIS 59 HD1 HIS 59 -3.637 0.864 7.381 449 HD2 HIS 59 HD2 HIS 59 -2.612 4.780 6.458 450 HE1 HIS 59 HE1 HIS 59 -1.904 1.511 9.067 451 HE2 HIS 59 HE2 HIS 59 -1.174 3.823 8.374 452 H THR 60 H THR 60 -2.851 5.694 3.977 453 HA THR 60 HA THR 60 -1.780 4.326 1.594 454 HB THR 60 HB THR 60 -0.856 6.647 1.032 455 HG1 THR 60 HG1 THR 60 -1.497 7.233 3.464 456 HG21 THR 60 3HG2 THR 60 -2.982 7.581 0.211 457 HG22 THR 60 1HG2 THR 60 -3.888 6.511 1.284 458 HG23 THR 60 2HG2 THR 60 -2.944 5.834 -0.049 459 H TYR 61 H TYR 61 0.266 3.550 1.739 460 HA TYR 61 HA TYR 61 1.953 4.223 4.074 461 HB2 TYR 61 1HB TYR 61 2.135 1.669 2.398 462 HB3 TYR 61 2HB TYR 61 2.847 1.980 3.973 463 HD1 TYR 61 HD2 TYR 61 -0.447 1.482 2.252 464 HD2 TYR 61 HD1 TYR 61 1.686 1.255 5.951 465 HE1 TYR 61 HE2 TYR 61 -2.354 0.353 3.286 466 HE2 TYR 61 HE1 TYR 61 -0.239 0.115 6.978 467 HH TYR 61 HH TYR 61 -2.806 -1.145 5.127 468 H ARG 62 H ARG 62 3.215 5.912 3.071 469 HA ARG 62 HA ARG 62 4.624 5.511 0.599 470 HB2 ARG 62 1HB ARG 62 5.092 7.457 2.896 471 HB3 ARG 62 2HB ARG 62 6.118 7.410 1.459 472 HG2 ARG 62 1HG ARG 62 4.086 7.845 0.047 473 HG3 ARG 62 2HG ARG 62 3.132 8.002 1.525 474 HD2 ARG 62 1HD ARG 62 5.484 9.762 0.744 475 HD3 ARG 62 2HD ARG 62 3.778 10.193 0.561 476 HE ARG 62 HE ARG 62 4.281 9.503 3.249 477 HH11 ARG 62 1HH1 ARG 62 4.937 12.114 0.974 478 HH12 ARG 62 2HH1 ARG 62 5.150 13.296 2.225 479 HH21 ARG 62 1HH2 ARG 62 4.545 11.046 4.851 480 HH22 ARG 62 2HH2 ARG 62 4.934 12.682 4.434 481 H ILE 63 H ILE 63 7.525 5.380 1.016 482 HA ILE 63 HA ILE 63 7.794 3.001 2.371 483 HB ILE 63 HB ILE 63 7.366 2.704 -0.657 484 HG12 ILE 63 1HG1 ILE 63 5.861 1.200 1.534 485 HG13 ILE 63 2HG1 ILE 63 5.239 2.647 0.755 486 HG21 ILE 63 1HG2 ILE 63 8.004 0.329 -0.389 487 HG22 ILE 63 2HG2 ILE 63 8.370 0.618 1.312 488 HG23 ILE 63 3HG2 ILE 63 9.317 1.420 0.058 489 HD11 ILE 63 3HD1 ILE 63 4.272 0.617 -0.153 490 HD12 ILE 63 1HD1 ILE 63 5.869 0.052 -0.632 491 HD13 ILE 63 2HD1 ILE 63 5.179 1.497 -1.384 492 H LEU 64 H LEU 64 9.886 3.612 2.871 493 HA LEU 64 HA LEU 64 11.270 5.393 0.951 494 HB2 LEU 64 1HB LEU 64 11.244 5.572 3.994 495 HB3 LEU 64 2HB LEU 64 12.251 6.551 2.941 496 HG LEU 64 HG LEU 64 10.015 7.389 1.904 497 HD11 LEU 64 1HD1 LEU 64 8.491 5.754 2.855 498 HD12 LEU 64 2HD1 LEU 64 8.059 7.376 3.398 499 HD13 LEU 64 3HD1 LEU 64 8.905 6.277 4.497 500 HD21 LEU 64 3HD2 LEU 64 11.486 8.813 3.241 501 HD22 LEU 64 1HD2 LEU 64 10.746 8.211 4.726 502 HD23 LEU 64 2HD2 LEU 64 9.795 9.160 3.586 503 HA PRO 65 HA PRO 65 14.583 2.243 1.560 504 HB2 PRO 65 1HB PRO 65 15.886 2.890 -0.789 505 HB3 PRO 65 2HB PRO 65 14.596 1.684 -0.689 506 HG2 PRO 65 1HG PRO 65 14.439 4.566 -1.562 507 HG3 PRO 65 2HG PRO 65 13.674 3.134 -2.288 508 HD2 PRO 65 1HD PRO 65 12.295 4.824 -0.670 509 HD3 PRO 65 2HD PRO 65 11.965 3.077 -0.698 510 H ASP 66 H ASP 66 15.807 3.098 3.207 511 HA ASP 66 HA ASP 66 16.146 5.878 3.578 512 HB2 ASP 66 1HB ASP 66 15.917 4.447 5.512 513 HB3 ASP 66 2HB ASP 66 17.244 3.415 5.003 514 H GLY 67 H GLY 67 18.496 3.270 2.956 515 HA2 GLY 67 1HA GLY 67 20.357 5.214 1.698 516 HA3 GLY 67 2HA GLY 67 20.854 3.755 2.550 517 H GLU 68 H GLU 68 18.150 4.088 0.216 518 HA GLU 68 HA GLU 68 17.422 2.695 -1.340 519 HB2 GLU 68 1HB GLU 68 20.200 3.332 -2.364 520 HB3 GLU 68 2HB GLU 68 18.894 2.699 -3.362 521 HG2 GLU 68 1HG GLU 68 17.542 4.690 -2.904 522 HG3 GLU 68 2HG GLU 68 18.808 5.330 -1.858 523 H ASP 69 H ASP 69 19.457 1.083 0.716 524 HA ASP 69 HA ASP 69 19.869 -1.271 -0.924 525 HB2 ASP 69 1HB ASP 69 20.755 -2.249 1.238 526 HB3 ASP 69 2HB ASP 69 21.606 -0.819 0.673 527 H PHE 70 H PHE 70 17.861 -0.338 1.901 528 HA PHE 70 HA PHE 70 15.900 -2.439 1.187 529 HB2 PHE 70 1HB PHE 70 16.963 -1.742 3.949 530 HB3 PHE 70 2HB PHE 70 15.395 -2.510 3.741 531 HD1 PHE 70 HD2 PHE 70 19.019 -3.006 2.853 532 HD2 PHE 70 HD1 PHE 70 15.258 -4.864 3.654 533 HE1 PHE 70 HE2 PHE 70 20.088 -5.215 2.762 534 HE2 PHE 70 HE1 PHE 70 16.340 -7.064 3.574 535 HZ PHE 70 HZ PHE 70 18.750 -7.246 3.128 536 H LEU 71 H LEU 71 13.762 -1.892 1.458 537 HA LEU 71 HA LEU 71 13.153 0.991 1.497 538 HB2 LEU 71 1HB LEU 71 10.956 0.261 0.346 539 HB3 LEU 71 2HB LEU 71 12.427 0.267 -0.610 540 HG LEU 71 HG LEU 71 11.561 -2.352 0.646 541 HD11 LEU 71 1HD1 LEU 71 9.482 -1.522 -0.349 542 HD12 LEU 71 2HD1 LEU 71 10.119 -2.895 -1.247 543 HD13 LEU 71 3HD1 LEU 71 10.304 -1.260 -1.888 544 HD21 LEU 71 3HD2 LEU 71 12.569 -3.317 -1.382 545 HD22 LEU 71 1HD2 LEU 71 13.709 -2.246 -0.567 546 HD23 LEU 71 2HD2 LEU 71 12.878 -1.699 -2.024 547 H ALA 72 H ALA 72 12.248 1.717 3.254 548 HA ALA 72 HA ALA 72 11.302 -0.138 5.313 549 HB1 ALA 72 3HB ALA 72 13.173 1.372 5.842 550 HB2 ALA 72 1HB ALA 72 11.776 1.718 6.860 551 HB3 ALA 72 2HB ALA 72 12.159 2.776 5.499 552 H VAL 73 H VAL 73 9.217 -0.346 5.644 553 HA VAL 73 HA VAL 73 7.268 1.757 4.883 554 HB VAL 73 HB VAL 73 6.625 -1.181 5.422 555 HG11 VAL 73 1HG1 VAL 73 4.540 -0.683 4.158 556 HG12 VAL 73 2HG1 VAL 73 5.028 1.002 4.003 557 HG13 VAL 73 3HG1 VAL 73 4.685 0.325 5.596 558 HG21 VAL 73 3HG2 VAL 73 6.615 -1.552 2.992 559 HG22 VAL 73 1HG2 VAL 73 8.214 -1.060 3.549 560 HG23 VAL 73 2HG2 VAL 73 7.175 0.100 2.718 561 H GLN 74 H GLN 74 5.587 2.245 6.415 562 HA GLN 74 HA GLN 74 6.389 1.821 9.235 563 HB2 GLN 74 1HB GLN 74 5.331 4.408 7.997 564 HB3 GLN 74 2HB GLN 74 5.579 4.152 9.717 565 HG2 GLN 74 1HG GLN 74 7.436 5.424 8.985 566 HG3 GLN 74 2HG GLN 74 8.045 3.784 9.193 567 HE21 GLN 74 2HE2 GLN 74 9.785 4.082 7.800 568 HE22 GLN 74 1HE2 GLN 74 9.606 4.263 6.090 569 H THR 75 H THR 75 4.893 0.182 9.581 570 HA THR 75 HA THR 75 2.015 0.690 9.024 571 HB THR 75 HB THR 75 1.848 -1.850 9.293 572 HG1 THR 75 HG1 THR 75 3.567 -2.866 9.931 573 HG21 THR 75 3HG2 THR 75 2.748 -2.395 7.065 574 HG22 THR 75 1HG2 THR 75 3.670 -0.883 7.059 575 HG23 THR 75 2HG2 THR 75 1.905 -0.843 7.040 576 H SER 76 H SER 76 3.430 1.805 11.283 577 HA SER 76 HA SER 76 3.440 0.121 13.558 578 HB2 SER 76 1HB SER 76 3.728 3.141 13.342 579 HB3 SER 76 2HB SER 76 4.164 2.164 14.746 580 HG SER 76 HG SER 76 5.710 1.092 13.430 581 H GLN 77 H GLN 77 1.308 -0.667 13.851 582 HA GLN 77 HA GLN 77 -0.365 1.172 15.493 583 HB2 GLN 77 1HB GLN 77 -2.258 -0.376 15.138 584 HB3 GLN 77 2HB GLN 77 -1.655 0.251 13.607 585 HG2 GLN 77 1HG GLN 77 -0.492 -1.869 13.170 586 HG3 GLN 77 2HG GLN 77 -1.001 -2.494 14.737 587 HE21 GLN 77 2HE2 GLN 77 -3.072 -0.634 12.545 588 HE22 GLN 77 1HE2 GLN 77 -4.156 -1.929 12.197 589 H GLY 78 H GLY 78 1.992 -0.895 15.732 590 HA2 GLY 78 1HA GLY 78 2.237 -1.453 18.355 591 HA3 GLY 78 2HA GLY 78 1.168 -2.754 17.829 592 H VAL 79 H VAL 79 3.549 -1.423 15.719 593 HA VAL 79 HA VAL 79 5.380 -3.709 15.958 594 HB VAL 79 HB VAL 79 5.367 -4.125 13.473 595 HG11 VAL 79 1HG1 VAL 79 2.630 -4.535 14.743 596 HG12 VAL 79 2HG1 VAL 79 4.011 -5.628 14.884 597 HG13 VAL 79 3HG1 VAL 79 3.233 -5.387 13.318 598 HG21 VAL 79 3HG2 VAL 79 4.534 -1.949 12.665 599 HG22 VAL 79 1HG2 VAL 79 2.963 -2.246 13.410 600 HG23 VAL 79 2HG2 VAL 79 3.496 -3.238 12.051 601 HA PRO 80 HA PRO 80 8.331 -0.412 14.869 602 HB2 PRO 80 1HB PRO 80 10.487 -1.871 14.059 603 HB3 PRO 80 2HB PRO 80 9.991 -1.816 15.758 604 HG2 PRO 80 1HG PRO 80 9.382 -3.922 13.675 605 HG3 PRO 80 2HG PRO 80 9.965 -4.146 15.339 606 HD2 PRO 80 1HD PRO 80 7.336 -4.421 14.683 607 HD3 PRO 80 2HD PRO 80 7.842 -3.789 16.265 608 H VAL 81 H VAL 81 9.954 -0.021 12.879 609 HA VAL 81 HA VAL 81 8.368 0.117 10.464 610 HB VAL 81 HB VAL 81 11.302 0.879 10.937 611 HG11 VAL 81 1HG1 VAL 81 10.826 0.556 8.532 612 HG12 VAL 81 2HG1 VAL 81 11.080 2.265 8.883 613 HG13 VAL 81 3HG1 VAL 81 9.444 1.650 8.643 614 HG21 VAL 81 3HG2 VAL 81 10.484 3.207 11.167 615 HG22 VAL 81 1HG2 VAL 81 9.780 2.161 12.404 616 HG23 VAL 81 2HG2 VAL 81 8.820 2.644 11.003 617 H ARG 82 H ARG 82 8.398 -1.404 8.844 618 HA ARG 82 HA ARG 82 10.272 -3.684 9.109 619 HB2 ARG 82 1HB ARG 82 7.811 -4.173 9.254 620 HB3 ARG 82 2HB ARG 82 7.597 -3.529 7.633 621 HG2 ARG 82 1HG ARG 82 7.621 -6.004 7.679 622 HG3 ARG 82 2HG ARG 82 8.911 -5.339 6.678 623 HD2 ARG 82 1HD ARG 82 10.576 -5.831 8.351 624 HD3 ARG 82 2HD ARG 82 9.350 -6.231 9.550 625 HE ARG 82 HE ARG 82 9.204 -8.340 8.693 626 HH11 ARG 82 1HH1 ARG 82 10.801 -6.425 6.213 627 HH12 ARG 82 2HH1 ARG 82 11.372 -7.820 5.356 628 HH21 ARG 82 1HH2 ARG 82 9.980 -10.125 7.559 629 HH22 ARG 82 2HH2 ARG 82 10.915 -9.897 6.118 630 H ARG 83 H ARG 83 11.964 -3.619 7.752 631 HA ARG 83 HA ARG 83 11.910 -2.099 5.252 632 HB2 ARG 83 1HB ARG 83 14.155 -3.458 6.813 633 HB3 ARG 83 2HB ARG 83 14.390 -2.528 5.335 634 HG2 ARG 83 1HG ARG 83 13.725 -0.482 6.413 635 HG3 ARG 83 2HG ARG 83 13.185 -1.346 7.855 636 HD2 ARG 83 1HD ARG 83 15.380 -0.202 8.148 637 HD3 ARG 83 2HD ARG 83 15.452 -1.938 8.435 638 HE ARG 83 HE ARG 83 16.521 -2.192 6.275 639 HH11 ARG 83 1HH1 ARG 83 16.437 1.125 7.438 640 HH12 ARG 83 2HH1 ARG 83 17.862 1.584 6.558 641 HH21 ARG 83 1HH2 ARG 83 18.364 -1.568 5.134 642 HH22 ARG 83 2HH2 ARG 83 18.938 0.061 5.246 643 H PHE 84 H PHE 84 12.389 -3.067 3.260 644 HA PHE 84 HA PHE 84 12.368 -6.034 3.082 645 HB2 PHE 84 1HB PHE 84 10.850 -4.078 1.283 646 HB3 PHE 84 2HB PHE 84 10.924 -5.823 1.047 647 HD1 PHE 84 HD2 PHE 84 10.025 -7.311 2.941 648 HD2 PHE 84 HD1 PHE 84 9.110 -3.149 2.619 649 HE1 PHE 84 HE2 PHE 84 8.069 -7.616 4.367 650 HE2 PHE 84 HE1 PHE 84 7.159 -3.476 4.078 651 HZ PHE 84 HZ PHE 84 6.639 -5.714 4.944 652 H GLN 85 H GLN 85 13.521 -6.872 1.290 653 HA GLN 85 HA GLN 85 15.571 -5.142 0.133 654 HB2 GLN 85 1HB GLN 85 16.163 -7.426 0.950 655 HB3 GLN 85 2HB GLN 85 15.067 -8.131 -0.222 656 HG2 GLN 85 1HG GLN 85 17.347 -8.359 -0.995 657 HG3 GLN 85 2HG GLN 85 16.484 -7.248 -2.057 658 HE21 GLN 85 2HE2 GLN 85 17.008 -5.032 -2.004 659 HE22 GLN 85 1HE2 GLN 85 18.475 -4.453 -1.299 660 H THR 86 H THR 86 12.438 -6.431 -0.677 661 HA THR 86 HA THR 86 12.430 -5.018 -3.199 662 HB THR 86 HB THR 86 13.329 -7.222 -3.925 663 HG1 THR 86 HG1 THR 86 12.023 -6.139 -5.402 664 HG21 THR 86 3HG2 THR 86 12.326 -8.678 -2.191 665 HG22 THR 86 1HG2 THR 86 11.945 -9.270 -3.814 666 HG23 THR 86 2HG2 THR 86 10.721 -8.405 -2.879 667 H LEU 87 H LEU 87 10.314 -4.815 -4.108 668 HA LEU 87 HA LEU 87 8.225 -4.327 -2.243 669 HB2 LEU 87 1HB LEU 87 8.745 -3.379 -4.736 670 HB3 LEU 87 2HB LEU 87 7.560 -4.582 -5.182 671 HG LEU 87 HG LEU 87 6.573 -2.327 -4.980 672 HD11 LEU 87 1HD1 LEU 87 4.636 -2.806 -3.608 673 HD12 LEU 87 2HD1 LEU 87 5.485 -4.142 -2.822 674 HD13 LEU 87 3HD1 LEU 87 5.106 -4.224 -4.544 675 HD21 LEU 87 3HD2 LEU 87 8.063 -1.398 -3.278 676 HD22 LEU 87 1HD2 LEU 87 7.328 -2.425 -2.043 677 HD23 LEU 87 2HD2 LEU 87 6.373 -1.171 -2.842 678 H GLY 88 H GLY 88 8.970 -7.076 -4.331 679 HA2 GLY 88 1HA GLY 88 6.730 -8.660 -4.252 680 HA3 GLY 88 2HA GLY 88 8.364 -9.291 -4.163 681 H GLU 89 H GLU 89 9.197 -8.445 -1.680 682 HA GLU 89 HA GLU 89 8.022 -10.357 0.095 683 HB2 GLU 89 1HB GLU 89 9.981 -8.087 0.646 684 HB3 GLU 89 2HB GLU 89 9.584 -9.365 1.798 685 HG2 GLU 89 1HG GLU 89 10.555 -11.047 0.363 686 HG3 GLU 89 2HG GLU 89 10.817 -9.868 -0.924 687 H LEU 90 H LEU 90 7.596 -6.908 -0.391 688 HA LEU 90 HA LEU 90 6.146 -6.277 1.942 689 HB2 LEU 90 1HB LEU 90 7.177 -4.622 0.412 690 HB3 LEU 90 2HB LEU 90 6.013 -5.021 -0.832 691 HG LEU 90 HG LEU 90 5.059 -3.916 1.832 692 HD11 LEU 90 1HD1 LEU 90 6.007 -2.227 -0.503 693 HD12 LEU 90 2HD1 LEU 90 6.817 -2.380 1.059 694 HD13 LEU 90 3HD1 LEU 90 5.222 -1.637 0.967 695 HD21 LEU 90 3HD2 LEU 90 3.298 -4.738 0.311 696 HD22 LEU 90 1HD2 LEU 90 3.903 -3.702 -0.985 697 HD23 LEU 90 2HD2 LEU 90 3.199 -2.988 0.469 698 H ILE 91 H ILE 91 4.939 -6.996 -1.380 699 HA ILE 91 HA ILE 91 2.217 -7.165 -0.864 700 HB ILE 91 HB ILE 91 3.751 -8.864 -2.879 701 HG12 ILE 91 1HG1 ILE 91 4.252 -6.448 -3.177 702 HG13 ILE 91 2HG1 ILE 91 3.344 -7.085 -4.536 703 HG21 ILE 91 1HG2 ILE 91 1.451 -9.681 -2.584 704 HG22 ILE 91 2HG2 ILE 91 1.626 -8.928 -4.167 705 HG23 ILE 91 3HG2 ILE 91 0.811 -8.060 -2.865 706 HD11 ILE 91 3HD1 ILE 91 2.603 -4.871 -3.959 707 HD12 ILE 91 1HD1 ILE 91 2.249 -5.372 -2.305 708 HD13 ILE 91 2HD1 ILE 91 1.311 -6.027 -3.650 709 H GLY 92 H GLY 92 4.648 -9.722 -0.768 710 HA2 GLY 92 1HA GLY 92 3.191 -11.992 -0.243 711 HA3 GLY 92 2HA GLY 92 4.820 -11.714 0.341 712 H LEU 93 H LEU 93 4.700 -9.920 2.258 713 HA LEU 93 HA LEU 93 3.509 -11.352 4.434 714 HB2 LEU 93 1HB LEU 93 4.999 -8.696 4.369 715 HB3 LEU 93 2HB LEU 93 4.523 -9.534 5.835 716 HG LEU 93 HG LEU 93 6.529 -10.545 3.775 717 HD11 LEU 93 1HD1 LEU 93 8.185 -10.280 5.546 718 HD12 LEU 93 2HD1 LEU 93 6.956 -9.634 6.634 719 HD13 LEU 93 3HD1 LEU 93 7.405 -8.746 5.176 720 HD21 LEU 93 3HD2 LEU 93 5.595 -11.892 6.339 721 HD22 LEU 93 1HD2 LEU 93 6.934 -12.437 5.320 722 HD23 LEU 93 2HD2 LEU 93 5.288 -12.449 4.689 723 H TYR 94 H TYR 94 2.669 -8.394 2.656 724 HA TYR 94 HA TYR 94 0.928 -7.401 4.749 725 HB2 TYR 94 1HB TYR 94 1.778 -6.323 2.056 726 HB3 TYR 94 2HB TYR 94 0.507 -5.538 2.992 727 HD1 TYR 94 HD2 TYR 94 3.190 -7.021 4.997 728 HD2 TYR 94 HD1 TYR 94 2.010 -3.500 2.870 729 HE1 TYR 94 HE2 TYR 94 4.826 -5.714 6.257 730 HE2 TYR 94 HE1 TYR 94 3.661 -2.207 4.126 731 HH TYR 94 HH TYR 94 6.112 -3.618 5.983 732 H ALA 95 H ALA 95 0.427 -9.548 2.125 733 HA ALA 95 HA ALA 95 -2.380 -9.183 1.862 734 HB1 ALA 95 3HB ALA 95 -0.742 -11.725 1.590 735 HB2 ALA 95 1HB ALA 95 -1.053 -10.551 0.306 736 HB3 ALA 95 2HB ALA 95 -2.391 -11.482 0.991 737 H GLN 96 H GLN 96 -0.579 -9.987 4.572 738 HA GLN 96 HA GLN 96 -2.672 -11.505 5.982 739 HB2 GLN 96 1HB GLN 96 -0.299 -12.258 6.199 740 HB3 GLN 96 2HB GLN 96 0.150 -10.674 6.818 741 HG2 GLN 96 1HG GLN 96 0.000 -12.270 8.638 742 HG3 GLN 96 2HG GLN 96 -1.258 -11.047 8.802 743 HE21 GLN 96 2HE2 GLN 96 -2.525 -12.360 10.103 744 HE22 GLN 96 1HE2 GLN 96 -3.389 -13.731 9.504 745 HA PRO 97 HA PRO 97 -3.949 -7.499 7.849 746 HB2 PRO 97 1HB PRO 97 -5.994 -8.416 9.379 747 HB3 PRO 97 2HB PRO 97 -6.128 -8.317 7.614 748 HG2 PRO 97 1HG PRO 97 -5.478 -10.719 9.335 749 HG3 PRO 97 2HG PRO 97 -6.639 -10.595 7.994 750 HD2 PRO 97 1HD PRO 97 -4.130 -11.625 7.666 751 HD3 PRO 97 2HD PRO 97 -4.975 -10.762 6.367 752 H ASN 98 H ASN 98 -4.643 -6.962 10.244 753 HA ASN 98 HA ASN 98 -3.870 -6.287 12.257 754 HB2 ASN 98 1HB ASN 98 -5.058 -8.414 12.812 755 HB3 ASN 98 2HB ASN 98 -3.524 -9.272 12.718 756 HD21 ASN 98 2HD2 ASN 98 -3.567 -9.928 14.873 757 HD22 ASN 98 1HD2 ASN 98 -3.356 -8.836 16.193 758 H GLN 99 H GLN 99 -2.066 -5.342 11.189 759 HA GLN 99 HA GLN 99 0.394 -5.617 12.537 760 HB2 GLN 99 1HB GLN 99 1.892 -6.346 10.648 761 HB3 GLN 99 2HB GLN 99 0.817 -7.612 11.221 762 HG2 GLN 99 1HG GLN 99 -0.680 -7.217 9.286 763 HG3 GLN 99 2HG GLN 99 0.425 -5.976 8.694 764 HE21 GLN 99 2HE2 GLN 99 0.770 -7.089 6.770 765 HE22 GLN 99 1HE2 GLN 99 1.689 -8.545 6.688 766 H GLY 100 H GLY 100 -1.697 -3.773 11.122 767 HA2 GLY 100 1HA GLY 100 -1.103 -1.369 10.842 768 HA3 GLY 100 2HA GLY 100 0.176 -1.906 9.757 769 H LEU 101 H LEU 101 -1.412 -4.041 8.616 770 HA LEU 101 HA LEU 101 -2.716 -2.569 6.540 771 HB2 LEU 101 1HB LEU 101 -2.287 -5.536 7.032 772 HB3 LEU 101 2HB LEU 101 -3.187 -4.937 5.655 773 HG LEU 101 HG LEU 101 -0.904 -5.498 4.984 774 HD11 LEU 101 1HD1 LEU 101 -1.996 -3.675 3.795 775 HD12 LEU 101 2HD1 LEU 101 -0.252 -3.444 3.866 776 HD13 LEU 101 3HD1 LEU 101 -1.310 -2.499 4.920 777 HD21 LEU 101 3HD2 LEU 101 0.262 -5.219 7.101 778 HD22 LEU 101 1HD2 LEU 101 0.069 -3.466 7.018 779 HD23 LEU 101 2HD2 LEU 101 1.065 -4.309 5.829 780 H VAL 102 H VAL 102 -4.539 -1.630 7.146 781 HA VAL 102 HA VAL 102 -6.545 -2.690 8.892 782 HB VAL 102 HB VAL 102 -7.868 -0.738 8.389 783 HG11 VAL 102 1HG1 VAL 102 -6.277 1.131 8.662 784 HG12 VAL 102 2HG1 VAL 102 -4.947 0.074 8.178 785 HG13 VAL 102 3HG1 VAL 102 -5.830 -0.246 9.677 786 HG21 VAL 102 3HG2 VAL 102 -7.413 0.824 6.483 787 HG22 VAL 102 1HG2 VAL 102 -7.879 -0.785 5.918 788 HG23 VAL 102 2HG2 VAL 102 -6.186 -0.291 5.876 789 H CYS 103 H CYS 103 -5.762 -3.310 5.690 790 HA CYS 103 HA CYS 103 -8.440 -4.239 4.875 791 HB2 CYS 103 1HB CYS 103 -6.077 -3.530 3.082 792 HB3 CYS 103 2HB CYS 103 -7.768 -3.741 2.618 793 HG CYS 103 HG CYS 103 -7.720 -1.127 2.412 794 H ALA 104 H ALA 104 -4.980 -4.941 4.882 795 HA ALA 104 HA ALA 104 -3.648 -6.583 4.159 796 HB1 ALA 104 3HB ALA 104 -4.943 -8.167 5.535 797 HB2 ALA 104 1HB ALA 104 -4.397 -8.923 4.037 798 HB3 ALA 104 2HB ALA 104 -6.078 -8.408 4.210 799 H LEU 105 H LEU 105 -2.938 -7.353 2.122 800 HA LEU 105 HA LEU 105 -4.043 -5.742 0.011 801 HB2 LEU 105 1HB LEU 105 -1.717 -7.700 -0.056 802 HB3 LEU 105 2HB LEU 105 -2.141 -6.587 -1.347 803 HG LEU 105 HG LEU 105 -1.043 -5.893 1.401 804 HD11 LEU 105 1HD1 LEU 105 0.626 -6.573 -0.216 805 HD12 LEU 105 2HD1 LEU 105 0.784 -4.857 0.146 806 HD13 LEU 105 3HD1 LEU 105 0.045 -5.372 -1.371 807 HD21 LEU 105 3HD2 LEU 105 -2.780 -4.241 0.946 808 HD22 LEU 105 1HD2 LEU 105 -2.111 -3.931 -0.659 809 HD23 LEU 105 2HD2 LEU 105 -1.189 -3.500 0.785 810 H LEU 106 H LEU 106 -5.864 -6.369 -0.909 811 HA LEU 106 HA LEU 106 -6.487 -9.238 -1.290 812 HB2 LEU 106 1HB LEU 106 -7.960 -8.100 0.304 813 HB3 LEU 106 2HB LEU 106 -8.278 -6.818 -0.851 814 HG LEU 106 HG LEU 106 -9.423 -8.526 -2.337 815 HD11 LEU 106 1HD1 LEU 106 -10.134 -10.668 -1.390 816 HD12 LEU 106 2HD1 LEU 106 -9.189 -10.361 0.070 817 HD13 LEU 106 3HD1 LEU 106 -8.376 -10.568 -1.486 818 HD21 LEU 106 3HD2 LEU 106 -10.713 -7.001 -0.928 819 HD22 LEU 106 1HD2 LEU 106 -10.634 -8.143 0.417 820 HD23 LEU 106 2HD2 LEU 106 -11.509 -8.566 -1.058 821 H LEU 107 H LEU 107 -7.189 -6.038 -2.781 822 HA LEU 107 HA LEU 107 -7.636 -7.392 -5.382 823 HB2 LEU 107 1HB LEU 107 -9.777 -6.714 -4.365 824 HB3 LEU 107 2HB LEU 107 -9.183 -5.072 -4.167 825 HG LEU 107 HG LEU 107 -9.073 -4.823 -6.658 826 HD11 LEU 107 1HD1 LEU 107 -10.138 -6.488 -8.126 827 HD12 LEU 107 2HD1 LEU 107 -10.337 -7.577 -6.750 828 HD13 LEU 107 3HD1 LEU 107 -8.718 -7.143 -7.306 829 HD21 LEU 107 3HD2 LEU 107 -11.063 -4.067 -5.440 830 HD22 LEU 107 1HD2 LEU 107 -11.806 -5.656 -5.643 831 HD23 LEU 107 2HD2 LEU 107 -11.478 -4.645 -7.052 832 HA PRO 108 HA PRO 108 -4.493 -4.176 -6.387 833 HB2 PRO 108 1HB PRO 108 -3.666 -5.931 -8.598 834 HB3 PRO 108 2HB PRO 108 -2.759 -5.480 -7.153 835 HG2 PRO 108 1HG PRO 108 -3.693 -8.024 -7.618 836 HG3 PRO 108 2HG PRO 108 -3.405 -7.364 -5.995 837 HD2 PRO 108 1HD PRO 108 -6.014 -7.614 -7.502 838 HD3 PRO 108 2HD PRO 108 -5.655 -7.951 -5.789 839 H VAL 109 H VAL 109 -5.283 -2.458 -7.586 840 HA VAL 109 HA VAL 109 -6.761 -3.008 -10.087 841 HB VAL 109 HB VAL 109 -7.089 -0.534 -8.300 842 HG11 VAL 109 1HG1 VAL 109 -7.551 -0.147 -10.689 843 HG12 VAL 109 2HG1 VAL 109 -9.031 -0.036 -9.740 844 HG13 VAL 109 3HG1 VAL 109 -8.708 -1.482 -10.698 845 HG21 VAL 109 3HG2 VAL 109 -9.293 -1.421 -7.607 846 HG22 VAL 109 1HG2 VAL 109 -7.985 -2.497 -7.095 847 HG23 VAL 109 2HG2 VAL 109 -8.980 -2.918 -8.492 Start of MODEL 5 1 H1 MET 1 1H MET 1 -21.031 -14.399 -40.139 2 H2 MET 1 2H MET 1 -19.956 -13.344 -39.371 3 H3 MET 1 3H MET 1 -21.592 -13.337 -38.948 4 HA MET 1 HA MET 1 -21.463 -15.516 -38.066 5 HB2 MET 1 1HB MET 1 -19.227 -16.664 -37.862 6 HB3 MET 1 2HB MET 1 -19.804 -16.520 -39.517 7 HG2 MET 1 1HG MET 1 -17.697 -14.747 -38.246 8 HG3 MET 1 2HG MET 1 -17.378 -16.110 -39.321 9 HE1 MET 1 3HE MET 1 -16.257 -13.074 -39.804 10 HE2 MET 1 1HE MET 1 -16.493 -12.948 -41.545 11 HE3 MET 1 2HE MET 1 -15.871 -14.445 -40.844 12 H GLY 2 H GLY 2 -21.661 -15.260 -35.926 13 HA2 GLY 2 1HA GLY 2 -20.545 -12.931 -34.591 14 HA3 GLY 2 2HA GLY 2 -21.732 -14.053 -33.949 15 H HIS 3 H HIS 3 -19.523 -13.013 -32.532 16 HA HIS 3 HA HIS 3 -18.552 -15.340 -31.262 17 HB2 HIS 3 1HB HIS 3 -16.110 -15.088 -31.664 18 HB3 HIS 3 2HB HIS 3 -16.959 -15.482 -33.146 19 HD1 HIS 3 HD1 HIS 3 -14.270 -13.471 -32.143 20 HD2 HIS 3 HD2 HIS 3 -17.588 -12.769 -34.550 21 HE1 HIS 3 HE1 HIS 3 -13.631 -11.551 -33.636 22 HE2 HIS 3 HE2 HIS 3 -15.652 -11.143 -35.076 23 H HIS 4 H HIS 4 -17.081 -14.782 -29.463 24 HA HIS 4 HA HIS 4 -17.160 -12.005 -28.512 25 HB2 HIS 4 1HB HIS 4 -18.182 -12.742 -26.324 26 HB3 HIS 4 2HB HIS 4 -19.291 -12.872 -27.681 27 HD1 HIS 4 HD1 HIS 4 -18.080 -14.763 -24.854 28 HD2 HIS 4 HD2 HIS 4 -19.446 -15.697 -28.663 29 HE1 HIS 4 HE1 HIS 4 -18.684 -17.201 -24.779 30 HE2 HIS 4 HE2 HIS 4 -19.661 -17.690 -27.042 31 H HIS 5 H HIS 5 -15.298 -11.561 -27.352 32 HA HIS 5 HA HIS 5 -13.316 -13.762 -27.345 33 HB2 HIS 5 1HB HIS 5 -11.612 -11.932 -27.594 34 HB3 HIS 5 2HB HIS 5 -12.749 -12.050 -28.925 35 HD1 HIS 5 HD1 HIS 5 -14.092 -10.018 -29.494 36 HD2 HIS 5 HD2 HIS 5 -12.022 -9.601 -25.916 37 HE1 HIS 5 HE1 HIS 5 -14.309 -7.594 -28.875 38 HE2 HIS 5 HE2 HIS 5 -13.150 -7.394 -26.649 39 H HIS 6 H HIS 6 -11.671 -13.868 -25.805 40 HA HIS 6 HA HIS 6 -11.847 -12.284 -23.338 41 HB2 HIS 6 1HB HIS 6 -11.847 -15.333 -23.444 42 HB3 HIS 6 2HB HIS 6 -11.406 -14.428 -22.003 43 HD1 HIS 6 HD1 HIS 6 -14.212 -16.060 -23.459 44 HD2 HIS 6 HD2 HIS 6 -13.700 -12.586 -21.229 45 HE1 HIS 6 HE1 HIS 6 -16.472 -15.548 -22.478 46 HE2 HIS 6 HE2 HIS 6 -16.134 -13.458 -21.117 47 H HIS 7 H HIS 7 -9.873 -11.615 -22.736 48 HA HIS 7 HA HIS 7 -7.466 -13.173 -23.323 49 HB2 HIS 7 1HB HIS 7 -7.698 -11.612 -25.258 50 HB3 HIS 7 2HB HIS 7 -7.742 -10.242 -24.156 51 HD1 HIS 7 HD1 HIS 7 -5.509 -9.422 -23.195 52 HD2 HIS 7 HD2 HIS 7 -5.129 -12.801 -25.590 53 HE1 HIS 7 HE1 HIS 7 -3.046 -9.733 -23.549 54 HE2 HIS 7 HE2 HIS 7 -2.833 -11.870 -24.841 55 H HIS 8 H HIS 8 -7.036 -13.549 -21.213 56 HA HIS 8 HA HIS 8 -7.506 -11.794 -19.047 57 HB2 HIS 8 1HB HIS 8 -5.703 -14.225 -19.293 58 HB3 HIS 8 2HB HIS 8 -5.898 -13.352 -17.783 59 HD1 HIS 8 HD1 HIS 8 -8.153 -13.575 -16.550 60 HD2 HIS 8 HD2 HIS 8 -7.847 -15.913 -19.981 61 HE1 HIS 8 HE1 HIS 8 -9.973 -15.300 -16.350 62 HE2 HIS 8 HE2 HIS 8 -9.768 -16.713 -18.427 63 H SER 9 H SER 9 -6.610 -9.814 -19.184 64 HA SER 9 HA SER 9 -3.773 -9.502 -18.714 65 HB2 SER 9 1HB SER 9 -3.538 -7.822 -20.611 66 HB3 SER 9 2HB SER 9 -3.714 -9.492 -21.143 67 HG SER 9 HG SER 9 -5.537 -7.367 -21.301 68 H HIS 10 H HIS 10 -3.948 -8.390 -16.909 69 HA HIS 10 HA HIS 10 -5.776 -6.062 -16.722 70 HB2 HIS 10 1HB HIS 10 -5.779 -6.367 -14.293 71 HB3 HIS 10 2HB HIS 10 -6.231 -7.886 -15.053 72 HD1 HIS 10 HD1 HIS 10 -3.660 -6.317 -12.896 73 HD2 HIS 10 HD2 HIS 10 -4.262 -9.971 -14.793 74 HE1 HIS 10 HE1 HIS 10 -1.971 -7.883 -11.897 75 HE2 HIS 10 HE2 HIS 10 -2.506 -10.126 -12.897 76 H MET 11 H MET 11 -4.928 -4.243 -15.528 77 HA MET 11 HA MET 11 -2.263 -3.483 -16.256 78 HB2 MET 11 1HB MET 11 -4.340 -2.113 -14.489 79 HB3 MET 11 2HB MET 11 -2.846 -1.364 -15.036 80 HG2 MET 11 1HG MET 11 -3.593 -1.361 -17.314 81 HG3 MET 11 2HG MET 11 -4.982 -2.372 -16.923 82 HE1 MET 11 3HE MET 11 -4.623 2.010 -15.425 83 HE2 MET 11 1HE MET 11 -3.339 1.185 -16.309 84 HE3 MET 11 2HE MET 11 -3.753 0.673 -14.672 85 H SER 12 H SER 12 -0.500 -3.166 -14.919 86 HA SER 12 HA SER 12 -0.159 -4.769 -12.600 87 HB2 SER 12 1HB SER 12 2.045 -3.541 -12.421 88 HB3 SER 12 2HB SER 12 1.752 -4.218 -14.024 89 HG SER 12 HG SER 12 2.071 -1.618 -13.261 90 H TRP 13 H TRP 13 0.279 -3.971 -10.312 91 HA TRP 13 HA TRP 13 -1.756 -1.992 -9.613 92 HB2 TRP 13 1HB TRP 13 -0.934 -2.760 -7.191 93 HB3 TRP 13 2HB TRP 13 -1.985 -3.793 -8.141 94 HD1 TRP 13 HD1 TRP 13 -1.147 -6.189 -8.699 95 HE1 TRP 13 HE1 TRP 13 0.991 -7.519 -8.219 96 HE3 TRP 13 HE3 TRP 13 1.802 -2.408 -6.904 97 HZ2 TRP 13 HZ2 TRP 13 3.584 -7.056 -7.245 98 HZ3 TRP 13 HZ3 TRP 13 4.109 -2.939 -6.232 99 HH2 TRP 13 HH2 TRP 13 4.983 -5.216 -6.396 100 H TYR 14 H TYR 14 1.650 -2.332 -9.943 101 HA TYR 14 HA TYR 14 2.357 0.133 -8.593 102 HB2 TYR 14 1HB TYR 14 4.024 -1.669 -8.691 103 HB3 TYR 14 2HB TYR 14 4.003 -1.633 -10.453 104 HD1 TYR 14 HD1 TYR 14 4.789 0.474 -7.454 105 HD2 TYR 14 HD2 TYR 14 5.494 -0.173 -11.619 106 HE1 TYR 14 HE1 TYR 14 6.566 2.168 -7.414 107 HE2 TYR 14 HE2 TYR 14 7.274 1.515 -11.578 108 HH TYR 14 HH TYR 14 7.928 3.477 -10.230 109 H HIS 15 H HIS 15 2.141 2.091 -9.445 110 HA HIS 15 HA HIS 15 2.063 2.459 -12.384 111 HB2 HIS 15 1HB HIS 15 0.746 4.150 -10.204 112 HB3 HIS 15 2HB HIS 15 0.701 4.498 -11.925 113 HD1 HIS 15 HD1 HIS 15 -1.330 3.699 -13.094 114 HD2 HIS 15 HD2 HIS 15 -0.638 1.578 -9.584 115 HE1 HIS 15 HE1 HIS 15 -3.340 2.217 -12.797 116 HE2 HIS 15 HE2 HIS 15 -2.841 0.849 -10.731 117 H ARG 16 H ARG 16 3.665 3.815 -13.231 118 HA ARG 16 HA ARG 16 5.827 4.527 -11.452 119 HB2 ARG 16 1HB ARG 16 5.582 4.969 -14.457 120 HB3 ARG 16 2HB ARG 16 7.000 5.388 -13.511 121 HG2 ARG 16 1HG ARG 16 7.718 3.344 -14.195 122 HG3 ARG 16 2HG ARG 16 6.808 2.802 -12.789 123 HD2 ARG 16 1HD ARG 16 6.253 1.356 -14.607 124 HD3 ARG 16 2HD ARG 16 4.842 2.393 -14.336 125 HE ARG 16 HE ARG 16 6.676 3.419 -16.321 126 HH11 ARG 16 1HH1 ARG 16 3.897 1.328 -15.896 127 HH12 ARG 16 2HH1 ARG 16 3.455 1.409 -17.568 128 HH21 ARG 16 1HH2 ARG 16 6.089 3.494 -18.498 129 HH22 ARG 16 2HH2 ARG 16 4.691 2.629 -19.032 130 H ASP 17 H ASP 17 3.433 6.498 -13.345 131 HA ASP 17 HA ASP 17 4.067 8.691 -11.479 132 HB2 ASP 17 1HB ASP 17 3.634 10.338 -13.309 133 HB3 ASP 17 2HB ASP 17 5.061 9.355 -13.582 134 H LEU 18 H LEU 18 2.433 8.082 -10.154 135 HA LEU 18 HA LEU 18 -0.281 8.900 -10.975 136 HB2 LEU 18 1HB LEU 18 -0.171 6.394 -10.840 137 HB3 LEU 18 2HB LEU 18 0.428 6.519 -9.195 138 HG LEU 18 HG LEU 18 -1.764 7.554 -8.518 139 HD11 LEU 18 1HD1 LEU 18 -3.697 7.417 -10.039 140 HD12 LEU 18 2HD1 LEU 18 -2.633 6.904 -11.351 141 HD13 LEU 18 3HD1 LEU 18 -2.461 8.516 -10.650 142 HD21 LEU 18 3HD2 LEU 18 -2.010 4.820 -9.823 143 HD22 LEU 18 1HD2 LEU 18 -3.071 5.470 -8.569 144 HD23 LEU 18 2HD2 LEU 18 -1.379 5.138 -8.207 145 H SER 19 H SER 19 -1.234 10.253 -9.434 146 HA SER 19 HA SER 19 0.369 10.988 -7.070 147 HB2 SER 19 1HB SER 19 -0.299 12.800 -8.632 148 HB3 SER 19 2HB SER 19 -1.995 12.404 -8.376 149 HG SER 19 HG SER 19 -0.452 14.014 -6.952 150 H ARG 20 H ARG 20 -1.014 11.629 -5.110 151 HA ARG 20 HA ARG 20 -2.094 9.241 -4.086 152 HB2 ARG 20 1HB ARG 20 -2.387 10.432 -1.992 153 HB3 ARG 20 2HB ARG 20 -0.851 10.897 -2.721 154 HG2 ARG 20 1HG ARG 20 -1.882 13.023 -3.504 155 HG3 ARG 20 2HG ARG 20 -3.410 12.552 -2.753 156 HD2 ARG 20 1HD ARG 20 -2.246 14.126 -1.313 157 HD3 ARG 20 2HD ARG 20 -2.263 12.539 -0.533 158 HE ARG 20 HE ARG 20 0.073 13.468 -2.081 159 HH11 ARG 20 1HH1 ARG 20 -1.221 12.264 0.962 160 HH12 ARG 20 2HH1 ARG 20 0.345 12.145 1.699 161 HH21 ARG 20 1HH2 ARG 20 2.095 13.305 -1.113 162 HH22 ARG 20 2HH2 ARG 20 2.230 12.728 0.517 163 H ALA 21 H ALA 21 -3.725 12.246 -5.116 164 HA ALA 21 HA ALA 21 -6.295 11.666 -4.099 165 HB1 ALA 21 3HB ALA 21 -5.622 13.936 -4.787 166 HB2 ALA 21 1HB ALA 21 -7.110 13.446 -5.598 167 HB3 ALA 21 2HB ALA 21 -5.578 13.429 -6.476 168 H ALA 22 H ALA 22 -4.919 11.194 -7.338 169 HA ALA 22 HA ALA 22 -7.182 9.926 -8.495 170 HB1 ALA 22 3HB ALA 22 -4.272 9.747 -9.333 171 HB2 ALA 22 1HB ALA 22 -5.426 10.980 -9.838 172 HB3 ALA 22 2HB ALA 22 -5.666 9.302 -10.326 173 H ALA 23 H ALA 23 -4.451 8.712 -6.641 174 HA ALA 23 HA ALA 23 -4.722 5.935 -7.179 175 HB1 ALA 23 3HB ALA 23 -3.575 7.307 -4.718 176 HB2 ALA 23 1HB ALA 23 -2.686 6.883 -6.184 177 HB3 ALA 23 2HB ALA 23 -3.341 5.611 -5.152 178 H GLU 24 H GLU 24 -5.737 7.828 -4.325 179 HA GLU 24 HA GLU 24 -7.201 5.918 -2.938 180 HB2 GLU 24 1HB GLU 24 -6.431 8.044 -1.980 181 HB3 GLU 24 2HB GLU 24 -7.520 8.943 -3.026 182 HG2 GLU 24 1HG GLU 24 -9.454 7.911 -1.857 183 HG3 GLU 24 2HG GLU 24 -8.332 7.064 -0.788 184 H GLU 25 H GLU 25 -8.213 8.158 -5.445 185 HA GLU 25 HA GLU 25 -11.027 7.676 -5.290 186 HB2 GLU 25 1HB GLU 25 -10.039 9.742 -6.302 187 HB3 GLU 25 2HB GLU 25 -9.412 8.776 -7.632 188 HG2 GLU 25 1HG GLU 25 -11.760 8.166 -8.238 189 HG3 GLU 25 2HG GLU 25 -12.331 9.243 -6.961 190 H LEU 26 H LEU 26 -8.472 6.532 -7.488 191 HA LEU 26 HA LEU 26 -9.898 4.734 -9.065 192 HB2 LEU 26 1HB LEU 26 -7.564 5.479 -9.471 193 HB3 LEU 26 2HB LEU 26 -7.019 4.526 -8.104 194 HG LEU 26 HG LEU 26 -7.583 2.443 -9.309 195 HD11 LEU 26 1HD1 LEU 26 -8.270 2.457 -11.669 196 HD12 LEU 26 2HD1 LEU 26 -8.432 4.214 -11.618 197 HD13 LEU 26 3HD1 LEU 26 -9.488 3.198 -10.633 198 HD21 LEU 26 3HD2 LEU 26 -5.813 2.536 -11.007 199 HD22 LEU 26 1HD2 LEU 26 -5.320 3.391 -9.548 200 HD23 LEU 26 2HD2 LEU 26 -5.839 4.297 -10.969 201 H LEU 27 H LEU 27 -8.579 4.296 -5.818 202 HA LEU 27 HA LEU 27 -9.099 1.513 -5.507 203 HB2 LEU 27 1HB LEU 27 -8.975 3.718 -3.404 204 HB3 LEU 27 2HB LEU 27 -9.026 1.998 -3.038 205 HG LEU 27 HG LEU 27 -6.767 3.470 -4.446 206 HD11 LEU 27 1HD1 LEU 27 -6.876 2.261 -1.670 207 HD12 LEU 27 2HD1 LEU 27 -6.866 3.981 -2.072 208 HD13 LEU 27 3HD1 LEU 27 -5.456 2.989 -2.432 209 HD21 LEU 27 3HD2 LEU 27 -6.917 1.217 -5.357 210 HD22 LEU 27 1HD2 LEU 27 -6.945 0.526 -3.731 211 HD23 LEU 27 2HD2 LEU 27 -5.501 1.354 -4.319 212 H ALA 28 H ALA 28 -10.896 4.463 -4.615 213 HA ALA 28 HA ALA 28 -13.041 3.267 -3.261 214 HB1 ALA 28 3HB ALA 28 -14.103 5.493 -3.396 215 HB2 ALA 28 1HB ALA 28 -12.924 5.975 -4.625 216 HB3 ALA 28 2HB ALA 28 -12.391 5.624 -2.982 217 H ARG 29 H ARG 29 -12.680 4.174 -6.634 218 HA ARG 29 HA ARG 29 -15.386 3.704 -7.422 219 HB2 ARG 29 1HB ARG 29 -13.872 5.267 -8.623 220 HB3 ARG 29 2HB ARG 29 -12.833 3.915 -9.067 221 HG2 ARG 29 1HG ARG 29 -14.728 2.940 -10.373 222 HG3 ARG 29 2HG ARG 29 -15.689 4.373 -9.984 223 HD2 ARG 29 1HD ARG 29 -14.075 5.789 -11.177 224 HD3 ARG 29 2HD ARG 29 -13.053 4.382 -11.496 225 HE ARG 29 HE ARG 29 -15.800 4.311 -12.505 226 HH11 ARG 29 1HH1 ARG 29 -12.396 4.752 -13.248 227 HH12 ARG 29 2HH1 ARG 29 -12.624 4.597 -14.956 228 HH21 ARG 29 1HH2 ARG 29 -16.083 4.088 -14.752 229 HH22 ARG 29 2HH2 ARG 29 -14.714 4.214 -15.806 230 H ALA 30 H ALA 30 -12.342 1.857 -7.737 231 HA ALA 30 HA ALA 30 -13.613 -0.160 -9.400 232 HB1 ALA 30 3HB ALA 30 -11.396 0.729 -9.968 233 HB2 ALA 30 1HB ALA 30 -11.350 -1.016 -9.728 234 HB3 ALA 30 2HB ALA 30 -10.738 0.064 -8.471 235 H GLY 31 H GLY 31 -11.794 -0.259 -6.264 236 HA2 GLY 31 1HA GLY 31 -12.620 -3.076 -5.918 237 HA3 GLY 31 2HA GLY 31 -11.269 -2.284 -5.131 238 H ARG 32 H ARG 32 -12.460 -0.026 -4.182 239 HA ARG 32 HA ARG 32 -13.166 0.774 -2.194 240 HB2 ARG 32 1HB ARG 32 -15.106 0.812 -3.826 241 HB3 ARG 32 2HB ARG 32 -15.725 -0.637 -3.043 242 HG2 ARG 32 1HG ARG 32 -15.999 0.635 -0.932 243 HG3 ARG 32 2HG ARG 32 -15.347 2.073 -1.715 244 HD2 ARG 32 1HD ARG 32 -17.881 0.638 -2.573 245 HD3 ARG 32 2HD ARG 32 -17.833 2.079 -1.557 246 HE ARG 32 HE ARG 32 -16.493 2.968 -3.644 247 HH11 ARG 32 1HH1 ARG 32 -19.495 1.159 -3.616 248 HH12 ARG 32 2HH1 ARG 32 -20.034 1.805 -5.131 249 HH21 ARG 32 1HH2 ARG 32 -17.179 3.786 -5.612 250 HH22 ARG 32 2HH2 ARG 32 -18.709 3.301 -6.274 251 H ASP 33 H ASP 33 -11.912 -1.944 -1.763 252 HA ASP 33 HA ASP 33 -12.829 -2.715 0.792 253 HB2 ASP 33 1HB ASP 33 -14.805 -3.574 -0.448 254 HB3 ASP 33 2HB ASP 33 -13.752 -4.504 -1.509 255 H GLY 34 H GLY 34 -10.641 -2.822 1.296 256 HA2 GLY 34 1HA GLY 34 -8.649 -3.917 1.710 257 HA3 GLY 34 2HA GLY 34 -9.284 -5.311 0.842 258 H SER 35 H SER 35 -9.251 -2.215 -0.663 259 HA SER 35 HA SER 35 -7.863 -3.326 -2.934 260 HB2 SER 35 1HB SER 35 -9.128 -0.577 -2.613 261 HB3 SER 35 2HB SER 35 -8.781 -1.433 -4.119 262 HG SER 35 HG SER 35 -10.228 -3.108 -2.880 263 H PHE 36 H PHE 36 -5.728 -2.965 -3.354 264 HA PHE 36 HA PHE 36 -4.447 -0.562 -2.228 265 HB2 PHE 36 1HB PHE 36 -2.472 -1.834 -1.612 266 HB3 PHE 36 2HB PHE 36 -3.879 -2.540 -0.828 267 HD1 PHE 36 HD2 PHE 36 -4.864 -4.705 -1.780 268 HD2 PHE 36 HD1 PHE 36 -1.079 -3.170 -3.065 269 HE1 PHE 36 HE2 PHE 36 -4.249 -6.919 -2.659 270 HE2 PHE 36 HE1 PHE 36 -0.493 -5.390 -3.943 271 HZ PHE 36 HZ PHE 36 -2.069 -7.263 -3.736 272 H LEU 37 H LEU 37 -2.707 0.229 -3.377 273 HA LEU 37 HA LEU 37 -1.650 -1.196 -5.666 274 HB2 LEU 37 1HB LEU 37 -1.835 0.768 -7.198 275 HB3 LEU 37 2HB LEU 37 -3.385 0.073 -6.774 276 HG LEU 37 HG LEU 37 -3.555 2.016 -5.031 277 HD11 LEU 37 1HD1 LEU 37 -1.459 3.245 -6.842 278 HD12 LEU 37 2HD1 LEU 37 -1.262 2.850 -5.132 279 HD13 LEU 37 3HD1 LEU 37 -2.407 4.094 -5.619 280 HD21 LEU 37 3HD2 LEU 37 -4.570 3.512 -6.684 281 HD22 LEU 37 1HD2 LEU 37 -4.994 1.832 -7.007 282 HD23 LEU 37 2HD2 LEU 37 -3.773 2.637 -7.994 283 H VAL 38 H VAL 38 0.403 -0.209 -6.375 284 HA VAL 38 HA VAL 38 1.730 1.396 -4.267 285 HB VAL 38 HB VAL 38 3.043 -0.677 -6.097 286 HG11 VAL 38 1HG1 VAL 38 4.263 0.994 -3.856 287 HG12 VAL 38 2HG1 VAL 38 4.588 1.190 -5.581 288 HG13 VAL 38 3HG1 VAL 38 5.097 -0.282 -4.749 289 HG21 VAL 38 3HG2 VAL 38 1.682 -1.753 -4.335 290 HG22 VAL 38 1HG2 VAL 38 2.516 -0.804 -3.098 291 HG23 VAL 38 2HG2 VAL 38 3.403 -2.008 -4.037 292 H ARG 39 H ARG 39 3.140 3.013 -5.082 293 HA ARG 39 HA ARG 39 2.997 3.736 -7.906 294 HB2 ARG 39 1HB ARG 39 2.105 6.061 -7.234 295 HB3 ARG 39 2HB ARG 39 0.937 4.742 -7.225 296 HG2 ARG 39 1HG ARG 39 1.059 4.580 -4.791 297 HG3 ARG 39 2HG ARG 39 2.342 5.791 -4.737 298 HD2 ARG 39 1HD ARG 39 -0.490 6.304 -5.718 299 HD3 ARG 39 2HD ARG 39 0.113 6.707 -4.104 300 HE ARG 39 HE ARG 39 0.731 8.038 -6.619 301 HH11 ARG 39 1HH1 ARG 39 1.393 7.856 -3.181 302 HH12 ARG 39 2HH1 ARG 39 2.342 9.300 -3.166 303 HH21 ARG 39 1HH2 ARG 39 1.991 9.932 -6.576 304 HH22 ARG 39 2HH2 ARG 39 2.656 10.481 -5.074 305 H ASP 40 H ASP 40 4.489 5.353 -8.441 306 HA ASP 40 HA ASP 40 6.704 5.730 -6.532 307 HB2 ASP 40 1HB ASP 40 7.376 4.978 -8.768 308 HB3 ASP 40 2HB ASP 40 6.492 6.295 -9.517 309 H SER 41 H SER 41 6.782 7.602 -5.381 310 HA SER 41 HA SER 41 4.746 9.662 -5.933 311 HB2 SER 41 1HB SER 41 6.435 9.224 -3.431 312 HB3 SER 41 2HB SER 41 5.045 10.300 -3.589 313 HG SER 41 HG SER 41 4.744 7.563 -4.174 314 H GLU 42 H GLU 42 5.788 10.803 -7.589 315 HA GLU 42 HA GLU 42 8.288 11.845 -7.746 316 HB2 GLU 42 1HB GLU 42 6.360 11.958 -9.418 317 HB3 GLU 42 2HB GLU 42 5.767 13.358 -8.550 318 HG2 GLU 42 1HG GLU 42 8.501 13.244 -9.871 319 HG3 GLU 42 2HG GLU 42 7.050 13.796 -10.699 320 H SER 43 H SER 43 5.620 13.169 -5.810 321 HA SER 43 HA SER 43 6.606 15.732 -5.289 322 HB2 SER 43 1HB SER 43 4.852 14.019 -3.478 323 HB3 SER 43 2HB SER 43 5.023 15.781 -3.391 324 HG SER 43 HG SER 43 4.308 15.679 -5.708 325 H VAL 44 H VAL 44 7.709 12.709 -3.910 326 HA VAL 44 HA VAL 44 8.672 13.884 -1.441 327 HB VAL 44 HB VAL 44 9.233 11.091 -2.507 328 HG11 VAL 44 1HG1 VAL 44 9.419 12.181 0.337 329 HG12 VAL 44 2HG1 VAL 44 10.788 11.785 -0.705 330 HG13 VAL 44 3HG1 VAL 44 9.705 10.508 -0.149 331 HG21 VAL 44 3HG2 VAL 44 7.355 10.314 -1.105 332 HG22 VAL 44 1HG2 VAL 44 6.795 11.463 -2.325 333 HG23 VAL 44 2HG2 VAL 44 6.986 11.980 -0.648 334 H ALA 45 H ALA 45 10.672 11.826 -3.651 335 HA ALA 45 HA ALA 45 12.800 13.653 -4.087 336 HB1 ALA 45 3HB ALA 45 14.371 12.941 -2.328 337 HB2 ALA 45 1HB ALA 45 13.132 11.882 -1.635 338 HB3 ALA 45 2HB ALA 45 12.921 13.637 -1.602 339 H GLY 46 H GLY 46 11.436 11.237 -5.272 340 HA2 GLY 46 1HA GLY 46 11.994 9.200 -6.283 341 HA3 GLY 46 2HA GLY 46 13.603 9.298 -5.567 342 H ALA 47 H ALA 47 10.407 8.076 -5.189 343 HA ALA 47 HA ALA 47 10.878 6.632 -2.826 344 HB1 ALA 47 3HB ALA 47 8.923 8.931 -2.501 345 HB2 ALA 47 1HB ALA 47 10.508 8.824 -1.731 346 HB3 ALA 47 2HB ALA 47 9.248 7.660 -1.319 347 H PHE 48 H PHE 48 9.010 5.290 -2.265 348 HA PHE 48 HA PHE 48 6.839 5.213 -4.294 349 HB2 PHE 48 1HB PHE 48 7.780 2.907 -2.541 350 HB3 PHE 48 2HB PHE 48 6.531 2.824 -3.771 351 HD1 PHE 48 HD1 PHE 48 7.813 4.210 -6.056 352 HD2 PHE 48 HD2 PHE 48 9.463 1.429 -3.258 353 HE1 PHE 48 HE1 PHE 48 9.486 3.518 -7.718 354 HE2 PHE 48 HE2 PHE 48 11.133 0.747 -4.932 355 HZ PHE 48 HZ PHE 48 11.144 1.790 -7.160 356 H ALA 49 H ALA 49 4.701 4.691 -3.474 357 HA ALA 49 HA ALA 49 4.263 4.711 -0.584 358 HB1 ALA 49 3HB ALA 49 2.294 6.177 -0.830 359 HB2 ALA 49 1HB ALA 49 2.622 6.337 -2.560 360 HB3 ALA 49 2HB ALA 49 3.761 6.989 -1.382 361 H LEU 50 H LEU 50 2.386 3.568 0.074 362 HA LEU 50 HA LEU 50 1.169 1.694 -1.869 363 HB2 LEU 50 1HB LEU 50 2.651 0.441 -0.371 364 HB3 LEU 50 2HB LEU 50 1.986 1.241 1.035 365 HG LEU 50 HG LEU 50 -0.200 0.080 0.662 366 HD11 LEU 50 1HD1 LEU 50 1.241 -1.447 -1.532 367 HD12 LEU 50 2HD1 LEU 50 -0.075 -0.288 -1.754 368 HD13 LEU 50 3HD1 LEU 50 -0.372 -1.801 -0.901 369 HD21 LEU 50 3HD2 LEU 50 1.424 -0.867 2.242 370 HD22 LEU 50 1HD2 LEU 50 2.165 -1.803 0.939 371 HD23 LEU 50 2HD2 LEU 50 0.506 -2.141 1.438 372 H CYS 51 H CYS 51 -0.900 2.344 -2.146 373 HA CYS 51 HA CYS 51 -2.337 3.810 -0.018 374 HB2 CYS 51 1HB CYS 51 -2.985 3.544 -2.996 375 HB3 CYS 51 2HB CYS 51 -3.773 4.625 -1.844 376 HG CYS 51 HG CYS 51 -0.517 5.146 -1.889 377 H VAL 52 H VAL 52 -3.899 2.667 1.066 378 HA VAL 52 HA VAL 52 -5.085 0.247 -0.173 379 HB VAL 52 HB VAL 52 -4.573 0.409 2.832 380 HG11 VAL 52 1HG1 VAL 52 -4.850 -2.048 2.745 381 HG12 VAL 52 2HG1 VAL 52 -5.066 -1.977 0.996 382 HG13 VAL 52 3HG1 VAL 52 -6.264 -1.234 2.061 383 HG21 VAL 52 3HG2 VAL 52 -2.349 0.585 1.818 384 HG22 VAL 52 1HG2 VAL 52 -2.658 -0.827 0.806 385 HG23 VAL 52 2HG2 VAL 52 -2.549 -1.000 2.560 386 H LEU 53 H LEU 53 -7.298 0.007 0.229 387 HA LEU 53 HA LEU 53 -8.697 1.957 1.935 388 HB2 LEU 53 1HB LEU 53 -8.943 2.760 -0.365 389 HB3 LEU 53 2HB LEU 53 -9.401 1.157 -0.918 390 HG LEU 53 HG LEU 53 -11.520 1.308 0.377 391 HD11 LEU 53 1HD1 LEU 53 -10.682 4.133 1.072 392 HD12 LEU 53 2HD1 LEU 53 -10.813 2.782 2.197 393 HD13 LEU 53 3HD1 LEU 53 -12.257 3.403 1.401 394 HD21 LEU 53 3HD2 LEU 53 -11.515 2.002 -1.957 395 HD22 LEU 53 1HD2 LEU 53 -11.105 3.656 -1.486 396 HD23 LEU 53 2HD2 LEU 53 -12.657 2.957 -1.015 397 H TYR 54 H TYR 54 -10.586 1.149 2.876 398 HA TYR 54 HA TYR 54 -11.738 -1.383 2.251 399 HB2 TYR 54 1HB TYR 54 -9.797 -2.230 3.506 400 HB3 TYR 54 2HB TYR 54 -10.167 -1.164 4.852 401 HD1 TYR 54 HD2 TYR 54 -11.638 -3.975 2.855 402 HD2 TYR 54 HD1 TYR 54 -11.481 -1.973 6.631 403 HE1 TYR 54 HE2 TYR 54 -13.018 -5.757 3.858 404 HE2 TYR 54 HE1 TYR 54 -12.880 -3.748 7.629 405 HH TYR 54 HH TYR 54 -13.520 -6.728 6.004 406 H GLN 55 H GLN 55 -13.798 -0.988 2.534 407 HA GLN 55 HA GLN 55 -15.646 0.353 2.788 408 HB2 GLN 55 1HB GLN 55 -15.471 -1.567 4.625 409 HB3 GLN 55 2HB GLN 55 -15.436 -0.224 5.751 410 HG2 GLN 55 1HG GLN 55 -17.640 -0.725 3.713 411 HG3 GLN 55 2HG GLN 55 -17.705 -1.227 5.397 412 HE21 GLN 55 2HE2 GLN 55 -19.440 0.598 3.828 413 HE22 GLN 55 1HE2 GLN 55 -19.494 2.065 4.734 414 H LYS 56 H LYS 56 -14.536 2.338 2.231 415 HA LYS 56 HA LYS 56 -14.204 4.574 2.388 416 HB2 LYS 56 1HB LYS 56 -16.650 4.251 3.113 417 HB3 LYS 56 2HB LYS 56 -16.104 4.453 4.770 418 HG2 LYS 56 1HG LYS 56 -17.059 6.535 3.881 419 HG3 LYS 56 2HG LYS 56 -15.349 6.736 4.276 420 HD2 LYS 56 1HD LYS 56 -14.798 6.419 1.856 421 HD3 LYS 56 2HD LYS 56 -16.526 6.327 1.501 422 HE2 LYS 56 1HE LYS 56 -16.824 8.635 2.286 423 HE3 LYS 56 2HE LYS 56 -15.120 8.715 2.747 424 HZ1 LYS 56 3HZ LYS 56 -14.524 8.408 0.421 425 HZ2 LYS 56 1HZ LYS 56 -15.517 9.770 0.620 426 HZ3 LYS 56 2HZ LYS 56 -16.158 8.338 -0.010 427 H HIS 57 H HIS 57 -12.365 2.834 4.043 428 HA HIS 57 HA HIS 57 -11.238 4.976 5.765 429 HB2 HIS 57 1HB HIS 57 -12.283 3.087 7.110 430 HB3 HIS 57 2HB HIS 57 -11.104 1.991 6.399 431 HD1 HIS 57 HD1 HIS 57 -10.737 1.756 9.122 432 HD2 HIS 57 HD2 HIS 57 -9.257 5.175 7.273 433 HE1 HIS 57 HE1 HIS 57 -9.051 2.708 10.728 434 HE2 HIS 57 HE2 HIS 57 -8.332 4.883 9.678 435 H VAL 58 H VAL 58 -9.541 5.674 4.641 436 HA VAL 58 HA VAL 58 -7.922 3.878 2.981 437 HB VAL 58 HB VAL 58 -7.683 6.919 3.230 438 HG11 VAL 58 1HG1 VAL 58 -6.565 6.786 1.007 439 HG12 VAL 58 2HG1 VAL 58 -6.673 5.021 1.062 440 HG13 VAL 58 3HG1 VAL 58 -5.678 5.885 2.242 441 HG21 VAL 58 3HG2 VAL 58 -9.971 6.312 2.483 442 HG22 VAL 58 1HG2 VAL 58 -9.282 5.348 1.169 443 HG23 VAL 58 2HG2 VAL 58 -9.054 7.098 1.200 444 H HIS 59 H HIS 59 -5.805 3.544 3.304 445 HA HIS 59 HA HIS 59 -4.306 4.689 5.525 446 HB2 HIS 59 1HB HIS 59 -5.044 1.777 5.233 447 HB3 HIS 59 2HB HIS 59 -3.385 2.118 5.706 448 HD1 HIS 59 HD1 HIS 59 -2.965 2.750 8.091 449 HD2 HIS 59 HD2 HIS 59 -7.012 2.718 7.151 450 HE1 HIS 59 HE1 HIS 59 -4.165 3.025 10.278 451 HE2 HIS 59 HE2 HIS 59 -6.599 2.790 9.703 452 H THR 60 H THR 60 -2.587 5.591 4.529 453 HA THR 60 HA THR 60 -1.398 4.222 2.183 454 HB THR 60 HB THR 60 -1.599 7.232 2.648 455 HG1 THR 60 HG1 THR 60 -3.318 5.477 1.540 456 HG21 THR 60 3HG2 THR 60 0.463 6.619 1.418 457 HG22 THR 60 1HG2 THR 60 -0.683 7.455 0.368 458 HG23 THR 60 2HG2 THR 60 -0.500 5.703 0.256 459 H TYR 61 H TYR 61 0.849 4.108 2.121 460 HA TYR 61 HA TYR 61 2.362 4.957 4.508 461 HB2 TYR 61 1HB TYR 61 2.560 2.167 3.267 462 HB3 TYR 61 2HB TYR 61 3.338 2.734 4.737 463 HD1 TYR 61 HD2 TYR 61 1.865 3.251 6.781 464 HD2 TYR 61 HD1 TYR 61 0.365 1.184 3.347 465 HE1 TYR 61 HE2 TYR 61 -0.032 2.429 8.103 466 HE2 TYR 61 HE1 TYR 61 -1.537 0.384 4.688 467 HH TYR 61 HH TYR 61 -1.972 -0.052 7.191 468 H ARG 62 H ARG 62 3.917 6.292 3.639 469 HA ARG 62 HA ARG 62 5.086 6.012 1.060 470 HB2 ARG 62 1HB ARG 62 6.022 7.510 3.533 471 HB3 ARG 62 2HB ARG 62 6.893 7.565 2.003 472 HG2 ARG 62 1HG ARG 62 4.905 8.533 0.892 473 HG3 ARG 62 2HG ARG 62 4.013 8.458 2.414 474 HD2 ARG 62 1HD ARG 62 6.543 10.085 1.976 475 HD3 ARG 62 2HD ARG 62 4.902 10.734 1.846 476 HE ARG 62 HE ARG 62 5.093 9.552 4.358 477 HH11 ARG 62 1HH1 ARG 62 6.701 12.210 2.709 478 HH12 ARG 62 2HH1 ARG 62 6.965 13.097 4.175 479 HH21 ARG 62 1HH2 ARG 62 5.418 10.736 6.244 480 HH22 ARG 62 2HH2 ARG 62 6.237 12.262 6.176 481 H ILE 63 H ILE 63 7.850 5.568 1.061 482 HA ILE 63 HA ILE 63 8.279 3.035 2.095 483 HB ILE 63 HB ILE 63 7.443 3.073 -0.854 484 HG12 ILE 63 1HG1 ILE 63 6.120 1.483 1.388 485 HG13 ILE 63 2HG1 ILE 63 5.441 2.927 0.644 486 HG21 ILE 63 1HG2 ILE 63 8.577 0.772 0.779 487 HG22 ILE 63 2HG2 ILE 63 9.415 1.662 -0.492 488 HG23 ILE 63 3HG2 ILE 63 8.023 0.662 -0.896 489 HD11 ILE 63 3HD1 ILE 63 4.416 0.911 -0.215 490 HD12 ILE 63 1HD1 ILE 63 5.981 0.308 -0.747 491 HD13 ILE 63 2HD1 ILE 63 5.288 1.752 -1.497 492 H LEU 64 H LEU 64 10.498 3.525 2.268 493 HA LEU 64 HA LEU 64 11.588 5.472 0.347 494 HB2 LEU 64 1HB LEU 64 12.506 4.711 3.150 495 HB3 LEU 64 2HB LEU 64 13.372 5.820 2.099 496 HG LEU 64 HG LEU 64 12.159 7.213 3.575 497 HD11 LEU 64 1HD1 LEU 64 12.009 7.958 1.254 498 HD12 LEU 64 2HD1 LEU 64 10.605 8.457 2.188 499 HD13 LEU 64 3HD1 LEU 64 10.474 7.103 1.063 500 HD21 LEU 64 3HD2 LEU 64 9.646 5.581 3.098 501 HD22 LEU 64 1HD2 LEU 64 9.770 7.038 4.092 502 HD23 LEU 64 2HD2 LEU 64 10.640 5.578 4.559 503 HA PRO 65 HA PRO 65 13.157 1.648 -1.266 504 HB2 PRO 65 1HB PRO 65 13.789 2.431 -3.783 505 HB3 PRO 65 2HB PRO 65 12.118 2.334 -3.212 506 HG2 PRO 65 1HG PRO 65 13.891 4.745 -3.487 507 HG3 PRO 65 2HG PRO 65 12.173 4.560 -3.909 508 HD2 PRO 65 1HD PRO 65 13.072 5.721 -1.562 509 HD3 PRO 65 2HD PRO 65 11.479 4.962 -1.745 510 H ASP 66 H ASP 66 15.445 4.422 -1.955 511 HA ASP 66 HA ASP 66 17.631 2.421 -1.969 512 HB2 ASP 66 1HB ASP 66 16.791 3.046 -4.281 513 HB3 ASP 66 2HB ASP 66 17.282 4.703 -3.965 514 H GLY 67 H GLY 67 19.540 3.055 -1.085 515 HA2 GLY 67 1HA GLY 67 20.783 5.462 -0.834 516 HA3 GLY 67 2HA GLY 67 19.664 5.457 0.527 517 H GLU 68 H GLU 68 20.083 2.369 0.408 518 HA GLU 68 HA GLU 68 22.713 2.039 1.605 519 HB2 GLU 68 1HB GLU 68 21.480 2.657 3.566 520 HB3 GLU 68 2HB GLU 68 20.053 1.765 3.064 521 HG2 GLU 68 1HG GLU 68 21.018 0.608 4.879 522 HG3 GLU 68 2HG GLU 68 21.293 -0.341 3.424 523 H ASP 69 H ASP 69 19.658 0.333 1.552 524 HA ASP 69 HA ASP 69 20.420 -1.669 -0.404 525 HB2 ASP 69 1HB ASP 69 21.809 -2.314 1.626 526 HB3 ASP 69 2HB ASP 69 20.305 -2.670 2.480 527 H PHE 70 H PHE 70 18.119 -0.766 2.156 528 HA PHE 70 HA PHE 70 16.175 -2.760 1.115 529 HB2 PHE 70 1HB PHE 70 15.173 -2.717 3.437 530 HB3 PHE 70 2HB PHE 70 16.787 -3.406 3.359 531 HD1 PHE 70 HD2 PHE 70 14.779 -0.548 4.605 532 HD2 PHE 70 HD1 PHE 70 18.696 -2.268 4.419 533 HE1 PHE 70 HE2 PHE 70 15.539 0.972 6.386 534 HE2 PHE 70 HE1 PHE 70 19.445 -0.747 6.207 535 HZ PHE 70 HZ PHE 70 17.869 0.872 7.189 536 H LEU 71 H LEU 71 14.010 -2.181 0.969 537 HA LEU 71 HA LEU 71 13.411 0.714 0.963 538 HB2 LEU 71 1HB LEU 71 11.466 0.246 -0.472 539 HB3 LEU 71 2HB LEU 71 12.983 -0.231 -1.187 540 HG LEU 71 HG LEU 71 12.182 -2.666 -0.265 541 HD11 LEU 71 1HD1 LEU 71 10.063 -1.873 0.686 542 HD12 LEU 71 2HD1 LEU 71 9.793 -3.012 -0.630 543 HD13 LEU 71 3HD1 LEU 71 9.559 -1.281 -0.902 544 HD21 LEU 71 3HD2 LEU 71 11.394 -3.158 -2.551 545 HD22 LEU 71 1HD2 LEU 71 12.858 -2.177 -2.573 546 HD23 LEU 71 2HD2 LEU 71 11.292 -1.430 -2.899 547 H ALA 72 H ALA 72 12.490 1.454 2.734 548 HA ALA 72 HA ALA 72 11.216 -0.443 4.601 549 HB1 ALA 72 3HB ALA 72 13.209 0.741 5.448 550 HB2 ALA 72 1HB ALA 72 11.761 1.143 6.378 551 HB3 ALA 72 2HB ALA 72 12.406 2.291 5.193 552 H VAL 73 H VAL 73 9.182 -0.338 4.944 553 HA VAL 73 HA VAL 73 7.508 1.821 3.823 554 HB VAL 73 HB VAL 73 6.719 -0.929 4.904 555 HG11 VAL 73 1HG1 VAL 73 5.016 1.076 3.354 556 HG12 VAL 73 2HG1 VAL 73 4.830 0.669 5.060 557 HG13 VAL 73 3HG1 VAL 73 4.521 -0.553 3.830 558 HG21 VAL 73 3HG2 VAL 73 7.005 -0.002 2.021 559 HG22 VAL 73 1HG2 VAL 73 6.487 -1.600 2.557 560 HG23 VAL 73 2HG2 VAL 73 8.132 -1.062 2.871 561 H GLN 74 H GLN 74 6.093 3.007 5.189 562 HA GLN 74 HA GLN 74 7.021 3.050 8.002 563 HB2 GLN 74 1HB GLN 74 7.259 5.172 6.583 564 HB3 GLN 74 2HB GLN 74 5.500 5.261 6.538 565 HG2 GLN 74 1HG GLN 74 6.352 6.731 8.279 566 HG3 GLN 74 2HG GLN 74 5.452 5.399 9.015 567 HE21 GLN 74 2HE2 GLN 74 6.499 5.384 10.989 568 HE22 GLN 74 1HE2 GLN 74 8.175 5.013 11.200 569 H THR 75 H THR 75 5.737 1.386 8.727 570 HA THR 75 HA THR 75 2.981 1.086 8.053 571 HB THR 75 HB THR 75 4.280 -0.344 10.408 572 HG1 THR 75 HG1 THR 75 4.635 -1.061 7.669 573 HG21 THR 75 3HG2 THR 75 1.893 -0.837 9.907 574 HG22 THR 75 1HG2 THR 75 2.917 -2.240 9.598 575 HG23 THR 75 2HG2 THR 75 2.334 -1.262 8.249 576 H SER 76 H SER 76 4.232 1.248 11.418 577 HA SER 76 HA SER 76 2.720 3.593 12.139 578 HB2 SER 76 1HB SER 76 1.828 0.893 13.263 579 HB3 SER 76 2HB SER 76 1.287 2.461 13.865 580 HG SER 76 HG SER 76 0.638 2.760 11.515 581 H GLN 77 H GLN 77 3.920 4.617 13.652 582 HA GLN 77 HA GLN 77 5.974 3.383 15.240 583 HB2 GLN 77 1HB GLN 77 4.642 6.131 15.438 584 HB3 GLN 77 2HB GLN 77 5.888 5.600 16.550 585 HG2 GLN 77 1HG GLN 77 7.094 6.896 15.066 586 HG3 GLN 77 2HG GLN 77 7.361 5.274 14.440 587 HE21 GLN 77 2HE2 GLN 77 7.582 7.863 13.104 588 HE22 GLN 77 1HE2 GLN 77 6.524 7.803 11.735 589 H GLY 78 H GLY 78 5.147 1.703 16.498 590 HA2 GLY 78 1HA GLY 78 3.899 1.767 18.843 591 HA3 GLY 78 2HA GLY 78 2.527 1.923 17.746 592 H VAL 79 H VAL 79 3.660 0.337 15.622 593 HA VAL 79 HA VAL 79 3.410 -2.394 16.766 594 HB VAL 79 HB VAL 79 2.635 -3.172 14.619 595 HG11 VAL 79 1HG1 VAL 79 0.908 -2.114 16.007 596 HG12 VAL 79 2HG1 VAL 79 0.544 -1.915 14.292 597 HG13 VAL 79 3HG1 VAL 79 1.203 -0.562 15.216 598 HG21 VAL 79 3HG2 VAL 79 2.404 -1.744 12.592 599 HG22 VAL 79 1HG2 VAL 79 4.090 -1.888 13.105 600 HG23 VAL 79 2HG2 VAL 79 3.189 -0.414 13.446 601 HA PRO 80 HA PRO 80 7.662 -3.324 15.238 602 HB2 PRO 80 1HB PRO 80 7.286 -5.923 14.299 603 HB3 PRO 80 2HB PRO 80 7.553 -5.517 16.000 604 HG2 PRO 80 1HG PRO 80 4.956 -6.021 14.552 605 HG3 PRO 80 2HG PRO 80 5.477 -6.613 16.145 606 HD2 PRO 80 1HD PRO 80 3.786 -4.533 15.933 607 HD3 PRO 80 2HD PRO 80 5.039 -4.549 17.195 608 H VAL 81 H VAL 81 8.207 -2.212 13.444 609 HA VAL 81 HA VAL 81 6.665 -2.397 10.939 610 HB VAL 81 HB VAL 81 8.817 -0.410 11.831 611 HG11 VAL 81 1HG1 VAL 81 8.224 0.911 9.814 612 HG12 VAL 81 2HG1 VAL 81 7.146 -0.382 9.286 613 HG13 VAL 81 3HG1 VAL 81 8.886 -0.666 9.380 614 HG21 VAL 81 3HG2 VAL 81 6.695 -0.137 13.064 615 HG22 VAL 81 1HG2 VAL 81 5.804 -0.039 11.544 616 HG23 VAL 81 2HG2 VAL 81 6.956 1.227 11.976 617 H ARG 82 H ARG 82 7.569 -3.308 9.089 618 HA ARG 82 HA ARG 82 10.206 -4.620 9.412 619 HB2 ARG 82 1HB ARG 82 7.775 -5.570 7.832 620 HB3 ARG 82 2HB ARG 82 9.332 -6.395 7.886 621 HG2 ARG 82 1HG ARG 82 7.392 -6.004 10.199 622 HG3 ARG 82 2HG ARG 82 7.729 -7.511 9.342 623 HD2 ARG 82 1HD ARG 82 10.118 -7.347 10.163 624 HD3 ARG 82 2HD ARG 82 9.631 -5.959 11.145 625 HE ARG 82 HE ARG 82 8.142 -8.450 11.538 626 HH11 ARG 82 1HH1 ARG 82 10.674 -6.329 12.765 627 HH12 ARG 82 2HH1 ARG 82 10.727 -7.110 14.309 628 HH21 ARG 82 1HH2 ARG 82 8.244 -9.447 13.577 629 HH22 ARG 82 2HH2 ARG 82 9.366 -8.861 14.767 630 H ARG 83 H ARG 83 11.723 -4.309 7.887 631 HA ARG 83 HA ARG 83 11.250 -2.531 5.624 632 HB2 ARG 83 1HB ARG 83 13.738 -2.601 5.403 633 HB3 ARG 83 2HB ARG 83 13.236 -2.140 7.024 634 HG2 ARG 83 1HG ARG 83 13.648 -4.512 7.772 635 HG3 ARG 83 2HG ARG 83 14.289 -4.861 6.169 636 HD2 ARG 83 1HD ARG 83 16.085 -3.215 6.520 637 HD3 ARG 83 2HD ARG 83 15.408 -2.809 8.102 638 HE ARG 83 HE ARG 83 16.380 -5.539 7.465 639 HH11 ARG 83 1HH1 ARG 83 16.467 -2.727 9.596 640 HH12 ARG 83 2HH1 ARG 83 17.399 -3.542 10.814 641 HH21 ARG 83 1HH2 ARG 83 17.607 -6.566 9.045 642 HH22 ARG 83 2HH2 ARG 83 18.050 -5.725 10.495 643 H PHE 84 H PHE 84 11.409 -3.173 3.531 644 HA PHE 84 HA PHE 84 11.539 -6.064 2.905 645 HB2 PHE 84 1HB PHE 84 10.047 -3.854 1.425 646 HB3 PHE 84 2HB PHE 84 10.039 -5.564 0.990 647 HD1 PHE 84 HD1 PHE 84 9.161 -7.233 2.718 648 HD2 PHE 84 HD2 PHE 84 8.490 -3.033 3.022 649 HE1 PHE 84 HE1 PHE 84 7.329 -7.627 4.290 650 HE2 PHE 84 HE2 PHE 84 6.646 -3.444 4.591 651 HZ PHE 84 HZ PHE 84 6.074 -5.746 5.225 652 H GLN 85 H GLN 85 12.025 -6.054 0.142 653 HA GLN 85 HA GLN 85 14.809 -5.122 0.174 654 HB2 GLN 85 1HB GLN 85 13.770 -7.956 -0.349 655 HB3 GLN 85 2HB GLN 85 15.327 -7.411 -0.940 656 HG2 GLN 85 1HG GLN 85 15.566 -8.780 1.053 657 HG3 GLN 85 2HG GLN 85 16.154 -7.151 1.341 658 HE21 GLN 85 2HE2 GLN 85 15.236 -5.947 2.981 659 HE22 GLN 85 1HE2 GLN 85 14.017 -6.547 4.049 660 H THR 86 H THR 86 12.223 -6.766 -1.547 661 HA THR 86 HA THR 86 12.325 -4.857 -3.807 662 HB THR 86 HB THR 86 11.603 -7.830 -4.033 663 HG1 THR 86 HG1 THR 86 13.987 -6.645 -5.021 664 HG21 THR 86 3HG2 THR 86 11.816 -7.493 -6.468 665 HG22 THR 86 1HG2 THR 86 12.217 -5.793 -6.226 666 HG23 THR 86 2HG2 THR 86 10.602 -6.385 -5.819 667 H LEU 87 H LEU 87 10.043 -4.531 -4.775 668 HA LEU 87 HA LEU 87 8.025 -4.199 -2.856 669 HB2 LEU 87 1HB LEU 87 7.820 -4.316 -5.890 670 HB3 LEU 87 2HB LEU 87 6.511 -3.786 -4.841 671 HG LEU 87 HG LEU 87 9.222 -2.410 -5.067 672 HD11 LEU 87 1HD1 LEU 87 6.550 -1.552 -6.216 673 HD12 LEU 87 2HD1 LEU 87 7.935 -2.151 -7.130 674 HD13 LEU 87 3HD1 LEU 87 8.052 -0.619 -6.266 675 HD21 LEU 87 3HD2 LEU 87 8.210 -0.593 -3.742 676 HD22 LEU 87 1HD2 LEU 87 8.233 -2.108 -2.838 677 HD23 LEU 87 2HD2 LEU 87 6.728 -1.537 -3.562 678 H GLY 88 H GLY 88 8.664 -6.984 -4.974 679 HA2 GLY 88 1HA GLY 88 6.441 -8.591 -4.563 680 HA3 GLY 88 2HA GLY 88 8.084 -9.201 -4.687 681 H GLU 89 H GLU 89 9.103 -7.970 -2.301 682 HA GLU 89 HA GLU 89 8.342 -9.820 -0.267 683 HB2 GLU 89 1HB GLU 89 9.962 -7.245 -0.051 684 HB3 GLU 89 2HB GLU 89 9.787 -8.423 1.249 685 HG2 GLU 89 1HG GLU 89 11.126 -8.874 -1.435 686 HG3 GLU 89 2HG GLU 89 11.937 -8.674 0.118 687 H LEU 90 H LEU 90 7.483 -6.447 -0.964 688 HA LEU 90 HA LEU 90 6.223 -5.762 1.460 689 HB2 LEU 90 1HB LEU 90 6.921 -4.027 -0.055 690 HB3 LEU 90 2HB LEU 90 6.015 -4.722 -1.385 691 HG LEU 90 HG LEU 90 3.870 -4.098 -0.186 692 HD11 LEU 90 1HD1 LEU 90 3.952 -2.443 1.619 693 HD12 LEU 90 2HD1 LEU 90 5.711 -2.598 1.689 694 HD13 LEU 90 3HD1 LEU 90 4.683 -3.973 2.092 695 HD21 LEU 90 3HD2 LEU 90 4.741 -2.718 -2.015 696 HD22 LEU 90 1HD2 LEU 90 5.725 -1.794 -0.876 697 HD23 LEU 90 2HD2 LEU 90 3.961 -1.719 -0.789 698 H ILE 91 H ILE 91 4.714 -6.457 -1.688 699 HA ILE 91 HA ILE 91 2.070 -6.695 -0.837 700 HB ILE 91 HB ILE 91 3.349 -8.019 -3.271 701 HG12 ILE 91 1HG1 ILE 91 3.957 -5.649 -3.251 702 HG13 ILE 91 2HG1 ILE 91 2.759 -5.916 -4.508 703 HG21 ILE 91 1HG2 ILE 91 1.125 -7.825 -4.325 704 HG22 ILE 91 2HG2 ILE 91 0.470 -7.164 -2.826 705 HG23 ILE 91 3HG2 ILE 91 1.065 -8.824 -2.870 706 HD11 ILE 91 3HD1 ILE 91 1.036 -4.990 -2.987 707 HD12 ILE 91 1HD1 ILE 91 2.321 -3.857 -3.389 708 HD13 ILE 91 2HD1 ILE 91 2.309 -4.642 -1.812 709 H GLY 92 H GLY 92 4.589 -9.123 -1.251 710 HA2 GLY 92 1HA GLY 92 3.206 -11.494 -0.864 711 HA3 GLY 92 2HA GLY 92 4.884 -11.235 -0.429 712 H LEU 93 H LEU 93 4.947 -9.658 1.655 713 HA LEU 93 HA LEU 93 4.123 -11.328 3.812 714 HB2 LEU 93 1HB LEU 93 6.202 -9.864 3.697 715 HB3 LEU 93 2HB LEU 93 5.181 -8.474 3.995 716 HG LEU 93 HG LEU 93 5.346 -10.790 5.978 717 HD11 LEU 93 1HD1 LEU 93 7.638 -9.974 5.638 718 HD12 LEU 93 2HD1 LEU 93 7.046 -9.572 7.247 719 HD13 LEU 93 3HD1 LEU 93 7.117 -8.325 5.997 720 HD21 LEU 93 3HD2 LEU 93 3.459 -9.266 6.358 721 HD22 LEU 93 1HD2 LEU 93 4.561 -7.884 6.414 722 HD23 LEU 93 2HD2 LEU 93 4.638 -9.135 7.656 723 H TYR 94 H TYR 94 2.940 -8.213 2.532 724 HA TYR 94 HA TYR 94 1.237 -7.681 4.790 725 HB2 TYR 94 1HB TYR 94 1.973 -6.252 2.244 726 HB3 TYR 94 2HB TYR 94 0.530 -5.737 3.102 727 HD1 TYR 94 HD2 TYR 94 3.100 -6.899 5.385 728 HD2 TYR 94 HD1 TYR 94 1.818 -3.524 3.096 729 HE1 TYR 94 HE2 TYR 94 4.440 -5.410 6.809 730 HE2 TYR 94 HE1 TYR 94 3.152 -2.049 4.525 731 HH TYR 94 HH TYR 94 5.493 -3.215 6.693 732 H ALA 95 H ALA 95 0.752 -9.451 1.825 733 HA ALA 95 HA ALA 95 -2.062 -9.253 1.607 734 HB1 ALA 95 3HB ALA 95 -1.944 -11.404 0.432 735 HB2 ALA 95 1HB ALA 95 -0.304 -11.665 1.036 736 HB3 ALA 95 2HB ALA 95 -0.631 -10.347 -0.093 737 H GLN 96 H GLN 96 -0.049 -10.700 3.937 738 HA GLN 96 HA GLN 96 -2.219 -12.215 5.274 739 HB2 GLN 96 1HB GLN 96 0.756 -12.049 5.915 740 HB3 GLN 96 2HB GLN 96 -0.412 -12.907 6.908 741 HG2 GLN 96 1HG GLN 96 0.729 -14.536 5.612 742 HG3 GLN 96 2HG GLN 96 -0.895 -14.398 4.939 743 HE21 GLN 96 2HE2 GLN 96 2.498 -13.671 4.437 744 HE22 GLN 96 1HE2 GLN 96 2.398 -13.387 2.738 745 HA PRO 97 HA PRO 97 -3.064 -8.770 8.217 746 HB2 PRO 97 1HB PRO 97 -3.340 -11.228 9.992 747 HB3 PRO 97 2HB PRO 97 -4.348 -9.771 9.935 748 HG2 PRO 97 1HG PRO 97 -5.188 -11.984 8.711 749 HG3 PRO 97 2HG PRO 97 -5.388 -10.407 7.919 750 HD2 PRO 97 1HD PRO 97 -3.418 -12.591 7.319 751 HD3 PRO 97 2HD PRO 97 -4.205 -11.436 6.216 752 H ASN 98 H ASN 98 -1.527 -7.659 9.172 753 HA ASN 98 HA ASN 98 1.033 -9.023 9.826 754 HB2 ASN 98 1HB ASN 98 2.260 -7.060 8.939 755 HB3 ASN 98 2HB ASN 98 1.236 -7.799 7.719 756 HD21 ASN 98 2HD2 ASN 98 2.389 -5.039 8.060 757 HD22 ASN 98 1HD2 ASN 98 1.044 -3.972 7.892 758 H GLN 99 H GLN 99 -0.842 -6.063 10.623 759 HA GLN 99 HA GLN 99 -0.845 -5.093 12.839 760 HB2 GLN 99 1HB GLN 99 2.098 -5.787 12.703 761 HB3 GLN 99 2HB GLN 99 1.621 -4.328 13.565 762 HG2 GLN 99 1HG GLN 99 0.469 -7.059 14.188 763 HG3 GLN 99 2HG GLN 99 1.920 -6.429 14.948 764 HE21 GLN 99 2HE2 GLN 99 0.954 -6.542 17.004 765 HE22 GLN 99 1HE2 GLN 99 -0.252 -5.412 17.510 766 H GLY 100 H GLY 100 -1.695 -3.323 11.898 767 HA2 GLY 100 1HA GLY 100 -1.070 -0.945 11.609 768 HA3 GLY 100 2HA GLY 100 0.131 -1.469 10.441 769 H LEU 101 H LEU 101 -1.533 -3.392 9.086 770 HA LEU 101 HA LEU 101 -2.744 -1.625 7.185 771 HB2 LEU 101 1HB LEU 101 -2.729 -4.645 7.380 772 HB3 LEU 101 2HB LEU 101 -3.551 -3.795 6.077 773 HG LEU 101 HG LEU 101 -0.560 -3.659 6.653 774 HD11 LEU 101 1HD1 LEU 101 -1.204 -5.824 5.772 775 HD12 LEU 101 2HD1 LEU 101 -0.305 -4.909 4.569 776 HD13 LEU 101 3HD1 LEU 101 -2.057 -5.059 4.431 777 HD21 LEU 101 3HD2 LEU 101 -1.355 -1.550 5.686 778 HD22 LEU 101 1HD2 LEU 101 -2.131 -2.419 4.361 779 HD23 LEU 101 2HD2 LEU 101 -0.369 -2.434 4.526 780 H VAL 102 H VAL 102 -4.858 -1.476 6.504 781 HA VAL 102 HA VAL 102 -6.805 -1.222 8.494 782 HB VAL 102 HB VAL 102 -6.682 0.212 6.497 783 HG11 VAL 102 1HG1 VAL 102 -7.686 -2.154 4.888 784 HG12 VAL 102 2HG1 VAL 102 -6.091 -1.410 4.772 785 HG13 VAL 102 3HG1 VAL 102 -7.522 -0.498 4.291 786 HG21 VAL 102 3HG2 VAL 102 -9.366 -1.160 6.770 787 HG22 VAL 102 1HG2 VAL 102 -9.089 0.416 6.024 788 HG23 VAL 102 2HG2 VAL 102 -8.765 0.186 7.743 789 H CYS 103 H CYS 103 -6.277 -3.809 6.091 790 HA CYS 103 HA CYS 103 -7.835 -5.730 7.566 791 HB2 CYS 103 1HB CYS 103 -9.636 -4.456 6.379 792 HB3 CYS 103 2HB CYS 103 -8.895 -4.861 4.841 793 HG CYS 103 HG CYS 103 -10.110 -7.176 7.025 794 H ALA 104 H ALA 104 -5.149 -5.272 6.283 795 HA ALA 104 HA ALA 104 -3.491 -6.315 5.178 796 HB1 ALA 104 3HB ALA 104 -4.264 -8.455 6.151 797 HB2 ALA 104 1HB ALA 104 -3.615 -8.675 4.525 798 HB3 ALA 104 2HB ALA 104 -5.361 -8.682 4.787 799 H LEU 105 H LEU 105 -2.886 -7.112 2.909 800 HA LEU 105 HA LEU 105 -4.228 -5.468 0.952 801 HB2 LEU 105 1HB LEU 105 -1.853 -7.355 0.668 802 HB3 LEU 105 2HB LEU 105 -2.395 -6.207 -0.541 803 HG LEU 105 HG LEU 105 -1.016 -5.635 2.101 804 HD11 LEU 105 1HD1 LEU 105 0.599 -4.431 0.700 805 HD12 LEU 105 2HD1 LEU 105 -0.332 -4.824 -0.749 806 HD13 LEU 105 3HD1 LEU 105 0.437 -6.110 0.187 807 HD21 LEU 105 3HD2 LEU 105 -2.424 -3.569 0.374 808 HD22 LEU 105 1HD2 LEU 105 -1.341 -3.214 1.720 809 HD23 LEU 105 2HD2 LEU 105 -2.864 -4.045 2.014 810 H LEU 106 H LEU 106 -6.174 -6.286 0.298 811 HA LEU 106 HA LEU 106 -6.569 -9.179 -0.008 812 HB2 LEU 106 1HB LEU 106 -8.586 -6.897 -0.012 813 HB3 LEU 106 2HB LEU 106 -8.999 -8.606 -0.122 814 HG LEU 106 HG LEU 106 -7.705 -7.221 2.272 815 HD11 LEU 106 1HD1 LEU 106 -10.056 -6.635 2.053 816 HD12 LEU 106 2HD1 LEU 106 -9.831 -7.704 3.433 817 HD13 LEU 106 3HD1 LEU 106 -10.510 -8.338 1.930 818 HD21 LEU 106 3HD2 LEU 106 -8.491 -10.144 1.949 819 HD22 LEU 106 1HD2 LEU 106 -7.990 -9.379 3.461 820 HD23 LEU 106 2HD2 LEU 106 -6.857 -9.501 2.121 821 H LEU 107 H LEU 107 -6.987 -6.190 -1.970 822 HA LEU 107 HA LEU 107 -6.986 -7.805 -4.447 823 HB2 LEU 107 1HB LEU 107 -9.362 -7.496 -3.909 824 HB3 LEU 107 2HB LEU 107 -9.119 -5.767 -3.696 825 HG LEU 107 HG LEU 107 -8.571 -5.586 -6.152 826 HD11 LEU 107 1HD1 LEU 107 -9.429 -8.486 -6.309 827 HD12 LEU 107 2HD1 LEU 107 -7.792 -7.870 -6.566 828 HD13 LEU 107 3HD1 LEU 107 -9.086 -7.420 -7.676 829 HD21 LEU 107 3HD2 LEU 107 -10.820 -5.076 -5.341 830 HD22 LEU 107 1HD2 LEU 107 -11.292 -6.766 -5.553 831 HD23 LEU 107 2HD2 LEU 107 -10.865 -5.780 -6.957 832 HA PRO 108 HA PRO 108 -4.417 -4.136 -5.476 833 HB2 PRO 108 1HB PRO 108 -3.134 -5.197 -7.632 834 HB3 PRO 108 2HB PRO 108 -2.680 -5.602 -5.972 835 HG2 PRO 108 1HG PRO 108 -4.321 -7.169 -7.936 836 HG3 PRO 108 2HG PRO 108 -3.094 -7.749 -6.788 837 HD2 PRO 108 1HD PRO 108 -5.839 -7.887 -6.349 838 HD3 PRO 108 2HD PRO 108 -4.622 -7.880 -5.055 839 H VAL 109 H VAL 109 -5.032 -2.398 -6.774 840 HA VAL 109 HA VAL 109 -6.995 -2.865 -8.901 841 HB VAL 109 HB VAL 109 -6.218 -0.209 -7.593 842 HG11 VAL 109 1HG1 VAL 109 -7.315 0.009 -9.801 843 HG12 VAL 109 2HG1 VAL 109 -8.367 0.603 -8.515 844 HG13 VAL 109 3HG1 VAL 109 -8.670 -0.981 -9.232 845 HG21 VAL 109 3HG2 VAL 109 -8.261 -0.423 -6.212 846 HG22 VAL 109 1HG2 VAL 109 -7.099 -1.705 -5.852 847 HG23 VAL 109 2HG2 VAL 109 -8.520 -2.051 -6.843 Start of MODEL 6 1 H1 MET 1 1H MET 1 -13.689 18.287 -37.236 2 H2 MET 1 2H MET 1 -14.852 17.865 -36.079 3 H3 MET 1 3H MET 1 -13.693 16.737 -36.567 4 HA MET 1 HA MET 1 -11.930 18.069 -35.632 5 HB2 MET 1 1HB MET 1 -14.217 19.816 -34.611 6 HB3 MET 1 2HB MET 1 -12.523 19.995 -34.167 7 HG2 MET 1 1HG MET 1 -11.955 20.617 -36.448 8 HG3 MET 1 2HG MET 1 -13.621 20.332 -36.968 9 HE1 MET 1 3HE MET 1 -13.480 24.208 -37.217 10 HE2 MET 1 1HE MET 1 -13.884 22.699 -38.034 11 HE3 MET 1 2HE MET 1 -12.202 23.072 -37.649 12 H GLY 2 H GLY 2 -11.447 16.341 -34.363 13 HA2 GLY 2 1HA GLY 2 -11.510 15.987 -31.835 14 HA3 GLY 2 2HA GLY 2 -13.224 15.664 -32.076 15 H HIS 3 H HIS 3 -10.319 14.181 -31.676 16 HA HIS 3 HA HIS 3 -11.432 11.623 -32.565 17 HB2 HIS 3 1HB HIS 3 -9.341 10.871 -33.599 18 HB3 HIS 3 2HB HIS 3 -9.894 12.329 -34.398 19 HD1 HIS 3 HD1 HIS 3 -6.973 10.871 -32.836 20 HD2 HIS 3 HD2 HIS 3 -8.348 14.714 -33.554 21 HE1 HIS 3 HE1 HIS 3 -4.970 12.352 -32.571 22 HE2 HIS 3 HE2 HIS 3 -5.871 14.690 -32.822 23 H HIS 4 H HIS 4 -11.596 10.507 -30.744 24 HA HIS 4 HA HIS 4 -9.779 11.026 -28.493 25 HB2 HIS 4 1HB HIS 4 -12.499 9.680 -28.683 26 HB3 HIS 4 2HB HIS 4 -11.510 9.565 -27.230 27 HD1 HIS 4 HD1 HIS 4 -11.434 11.580 -25.696 28 HD2 HIS 4 HD2 HIS 4 -13.489 12.322 -29.229 29 HE1 HIS 4 HE1 HIS 4 -12.547 13.797 -25.364 30 HE2 HIS 4 HE2 HIS 4 -13.648 14.301 -27.570 31 H HIS 5 H HIS 5 -7.968 9.964 -28.900 32 HA HIS 5 HA HIS 5 -7.927 7.073 -29.473 33 HB2 HIS 5 1HB HIS 5 -6.477 8.582 -30.849 34 HB3 HIS 5 2HB HIS 5 -5.672 9.152 -29.394 35 HD1 HIS 5 HD1 HIS 5 -4.030 7.485 -28.229 36 HD2 HIS 5 HD2 HIS 5 -5.532 6.172 -31.867 37 HE1 HIS 5 HE1 HIS 5 -2.530 5.607 -28.921 38 HE2 HIS 5 HE2 HIS 5 -3.359 4.944 -31.213 39 H HIS 6 H HIS 6 -7.547 5.668 -27.813 40 HA HIS 6 HA HIS 6 -6.922 6.731 -25.136 41 HB2 HIS 6 1HB HIS 6 -7.729 4.465 -24.320 42 HB3 HIS 6 2HB HIS 6 -8.948 5.437 -25.121 43 HD1 HIS 6 HD1 HIS 6 -9.927 4.573 -27.319 44 HD2 HIS 6 HD2 HIS 6 -7.036 2.071 -25.687 45 HE1 HIS 6 HE1 HIS 6 -10.133 2.408 -28.570 46 HE2 HIS 6 HE2 HIS 6 -8.270 0.962 -27.679 47 H HIS 7 H HIS 7 -5.261 5.955 -23.881 48 HA HIS 7 HA HIS 7 -3.611 3.691 -24.604 49 HB2 HIS 7 1HB HIS 7 -2.457 5.323 -25.995 50 HB3 HIS 7 2HB HIS 7 -2.463 6.526 -24.709 51 HD1 HIS 7 HD1 HIS 7 -0.700 6.254 -22.810 52 HD2 HIS 7 HD2 HIS 7 -0.408 3.369 -25.791 53 HE1 HIS 7 HE1 HIS 7 1.455 5.045 -22.372 54 HE2 HIS 7 HE2 HIS 7 1.713 3.475 -24.318 55 H HIS 8 H HIS 8 -3.115 2.724 -22.716 56 HA HIS 8 HA HIS 8 -2.428 4.264 -20.316 57 HB2 HIS 8 1HB HIS 8 -4.609 2.129 -20.397 58 HB3 HIS 8 2HB HIS 8 -3.809 2.607 -18.901 59 HD1 HIS 8 HD1 HIS 8 -4.295 5.000 -17.992 60 HD2 HIS 8 HD2 HIS 8 -6.530 3.944 -21.332 61 HE1 HIS 8 HE1 HIS 8 -6.127 6.707 -18.140 62 HE2 HIS 8 HE2 HIS 8 -7.436 6.080 -20.199 63 H SER 9 H SER 9 -1.214 3.083 -18.781 64 HA SER 9 HA SER 9 -0.143 0.453 -19.634 65 HB2 SER 9 1HB SER 9 1.334 2.639 -18.092 66 HB3 SER 9 2HB SER 9 1.994 1.079 -18.593 67 HG SER 9 HG SER 9 1.044 2.137 -20.777 68 H HIS 10 H HIS 10 -1.298 -0.904 -18.428 69 HA HIS 10 HA HIS 10 -1.839 -0.367 -15.565 70 HB2 HIS 10 1HB HIS 10 -3.795 -0.615 -17.183 71 HB3 HIS 10 2HB HIS 10 -3.285 -2.267 -17.479 72 HD1 HIS 10 HD1 HIS 10 -5.387 -0.228 -15.309 73 HD2 HIS 10 HD2 HIS 10 -3.611 -3.987 -15.134 74 HE1 HIS 10 HE1 HIS 10 -6.574 -1.448 -13.458 75 HE2 HIS 10 HE2 HIS 10 -5.478 -3.717 -13.366 76 H MET 11 H MET 11 0.200 -1.168 -14.823 77 HA MET 11 HA MET 11 0.996 -3.927 -15.344 78 HB2 MET 11 1HB MET 11 2.120 -1.911 -13.353 79 HB3 MET 11 2HB MET 11 2.823 -3.486 -13.698 80 HG2 MET 11 1HG MET 11 4.122 -1.843 -14.820 81 HG3 MET 11 2HG MET 11 3.196 -2.697 -16.058 82 HE1 MET 11 3HE MET 11 4.718 0.271 -16.156 83 HE2 MET 11 1HE MET 11 3.589 1.121 -17.210 84 HE3 MET 11 2HE MET 11 4.061 -0.538 -17.582 85 H SER 12 H SER 12 -1.277 -4.539 -14.607 86 HA SER 12 HA SER 12 -2.861 -5.231 -13.196 87 HB2 SER 12 1HB SER 12 -1.187 -6.996 -12.776 88 HB3 SER 12 2HB SER 12 -0.485 -6.037 -11.473 89 HG SER 12 HG SER 12 -3.170 -6.974 -11.539 90 H TRP 13 H TRP 13 -1.278 -4.695 -10.150 91 HA TRP 13 HA TRP 13 -2.989 -2.376 -9.618 92 HB2 TRP 13 1HB TRP 13 -2.199 -2.976 -7.158 93 HB3 TRP 13 2HB TRP 13 -3.426 -3.949 -7.956 94 HD1 TRP 13 HD1 TRP 13 -2.973 -6.495 -8.111 95 HE1 TRP 13 HE1 TRP 13 -1.011 -8.041 -7.568 96 HE3 TRP 13 HE3 TRP 13 0.636 -2.984 -7.184 97 HZ2 TRP 13 HZ2 TRP 13 1.686 -7.846 -6.873 98 HZ3 TRP 13 HZ3 TRP 13 2.889 -3.769 -6.601 99 HH2 TRP 13 HH2 TRP 13 3.406 -6.148 -6.444 100 H TYR 14 H TYR 14 -0.239 -2.296 -11.036 101 HA TYR 14 HA TYR 14 1.122 -0.433 -9.180 102 HB2 TYR 14 1HB TYR 14 2.625 -2.348 -9.466 103 HB3 TYR 14 2HB TYR 14 2.463 -2.272 -11.219 104 HD1 TYR 14 HD2 TYR 14 3.494 -0.049 -8.345 105 HD2 TYR 14 HD1 TYR 14 4.189 -1.165 -12.415 106 HE1 TYR 14 HE2 TYR 14 5.392 1.511 -8.451 107 HE2 TYR 14 HE1 TYR 14 6.081 0.394 -12.521 108 HH TYR 14 HH TYR 14 6.925 2.344 -11.433 109 H HIS 15 H HIS 15 0.843 1.606 -9.873 110 HA HIS 15 HA HIS 15 0.731 2.156 -12.771 111 HB2 HIS 15 1HB HIS 15 -1.101 3.299 -10.617 112 HB3 HIS 15 2HB HIS 15 -1.056 3.844 -12.289 113 HD1 HIS 15 HD1 HIS 15 -2.528 2.648 -13.896 114 HD2 HIS 15 HD2 HIS 15 -2.085 0.549 -10.338 115 HE1 HIS 15 HE1 HIS 15 -4.098 0.699 -14.070 116 HE2 HIS 15 HE2 HIS 15 -3.933 -0.470 -11.838 117 H ARG 16 H ARG 16 2.803 2.988 -12.846 118 HA ARG 16 HA ARG 16 3.682 5.221 -11.258 119 HB2 ARG 16 1HB ARG 16 5.082 3.525 -12.714 120 HB3 ARG 16 2HB ARG 16 4.699 4.573 -14.065 121 HG2 ARG 16 1HG ARG 16 6.068 5.598 -11.559 122 HG3 ARG 16 2HG ARG 16 6.974 4.889 -12.886 123 HD2 ARG 16 1HD ARG 16 6.451 6.667 -14.354 124 HD3 ARG 16 2HD ARG 16 5.111 7.223 -13.350 125 HE ARG 16 HE ARG 16 7.212 7.555 -11.700 126 HH11 ARG 16 1HH1 ARG 16 6.816 8.556 -15.042 127 HH12 ARG 16 2HH1 ARG 16 7.720 10.020 -14.826 128 HH21 ARG 16 1HH2 ARG 16 8.346 9.476 -11.429 129 HH22 ARG 16 2HH2 ARG 16 8.584 10.542 -12.774 130 H ASP 17 H ASP 17 3.718 7.549 -12.011 131 HA ASP 17 HA ASP 17 2.917 9.381 -12.898 132 HB2 ASP 17 1HB ASP 17 3.162 8.417 -15.171 133 HB3 ASP 17 2HB ASP 17 1.578 7.672 -15.045 134 H LEU 18 H LEU 18 1.240 7.211 -11.204 135 HA LEU 18 HA LEU 18 -1.350 8.618 -11.262 136 HB2 LEU 18 1HB LEU 18 -1.314 6.113 -11.396 137 HB3 LEU 18 2HB LEU 18 -0.489 6.051 -9.849 138 HG LEU 18 HG LEU 18 -2.496 7.059 -8.751 139 HD11 LEU 18 1HD1 LEU 18 -3.790 6.821 -11.480 140 HD12 LEU 18 2HD1 LEU 18 -3.424 8.312 -10.606 141 HD13 LEU 18 3HD1 LEU 18 -4.628 7.197 -9.967 142 HD21 LEU 18 3HD2 LEU 18 -3.067 4.514 -10.318 143 HD22 LEU 18 1HD2 LEU 18 -3.931 5.060 -8.873 144 HD23 LEU 18 2HD2 LEU 18 -2.228 4.626 -8.767 145 H SER 19 H SER 19 -1.671 10.183 -9.766 146 HA SER 19 HA SER 19 0.130 10.621 -7.528 147 HB2 SER 19 1HB SER 19 -1.277 12.645 -7.138 148 HB3 SER 19 2HB SER 19 -0.745 12.548 -8.814 149 HG SER 19 HG SER 19 -2.746 12.396 -9.433 150 H ARG 20 H ARG 20 -0.752 10.863 -5.224 151 HA ARG 20 HA ARG 20 -2.194 8.552 -4.461 152 HB2 ARG 20 1HB ARG 20 -2.113 9.462 -2.153 153 HB3 ARG 20 2HB ARG 20 -0.563 9.487 -2.967 154 HG2 ARG 20 1HG ARG 20 -0.509 11.537 -1.920 155 HG3 ARG 20 2HG ARG 20 -1.172 12.005 -3.482 156 HD2 ARG 20 1HD ARG 20 -3.474 11.863 -2.438 157 HD3 ARG 20 2HD ARG 20 -2.683 11.608 -0.880 158 HE ARG 20 HE ARG 20 -1.533 13.880 -1.651 159 HH11 ARG 20 1HH1 ARG 20 -4.942 12.994 -1.677 160 HH12 ARG 20 2HH1 ARG 20 -5.478 14.634 -1.522 161 HH21 ARG 20 1HH2 ARG 20 -2.249 15.991 -1.422 162 HH22 ARG 20 2HH2 ARG 20 -3.947 16.337 -1.362 163 H ALA 21 H ALA 21 -3.222 11.891 -4.855 164 HA ALA 21 HA ALA 21 -5.855 11.727 -3.896 165 HB1 ALA 21 3HB ALA 21 -4.753 13.861 -4.441 166 HB2 ALA 21 1HB ALA 21 -6.295 13.717 -5.293 167 HB3 ALA 21 2HB ALA 21 -4.778 13.450 -6.157 168 H ALA 22 H ALA 22 -4.590 11.250 -7.201 169 HA ALA 22 HA ALA 22 -7.087 10.468 -8.366 170 HB1 ALA 22 3HB ALA 22 -5.742 9.887 -10.343 171 HB2 ALA 22 1HB ALA 22 -4.258 10.040 -9.395 172 HB3 ALA 22 2HB ALA 22 -5.267 11.458 -9.696 173 H ALA 23 H ALA 23 -4.563 8.711 -6.690 174 HA ALA 23 HA ALA 23 -5.213 6.059 -7.552 175 HB1 ALA 23 3HB ALA 23 -3.780 5.323 -5.678 176 HB2 ALA 23 1HB ALA 23 -3.746 6.970 -5.040 177 HB3 ALA 23 2HB ALA 23 -3.001 6.609 -6.601 178 H GLU 24 H GLU 24 -5.773 7.753 -4.470 179 HA GLU 24 HA GLU 24 -7.521 6.022 -3.216 180 HB2 GLU 24 1HB GLU 24 -6.383 7.828 -2.068 181 HB3 GLU 24 2HB GLU 24 -7.173 9.044 -3.059 182 HG2 GLU 24 1HG GLU 24 -8.771 7.264 -1.220 183 HG3 GLU 24 2HG GLU 24 -7.917 8.663 -0.583 184 H GLU 25 H GLU 25 -8.183 8.616 -5.491 185 HA GLU 25 HA GLU 25 -11.032 8.579 -5.436 186 HB2 GLU 25 1HB GLU 25 -9.732 10.458 -6.421 187 HB3 GLU 25 2HB GLU 25 -9.165 9.395 -7.707 188 HG2 GLU 25 1HG GLU 25 -11.519 9.129 -8.487 189 HG3 GLU 25 2HG GLU 25 -12.040 10.249 -7.227 190 H LEU 26 H LEU 26 -8.655 7.030 -7.583 191 HA LEU 26 HA LEU 26 -10.392 5.623 -9.271 192 HB2 LEU 26 1HB LEU 26 -7.915 6.027 -9.625 193 HB3 LEU 26 2HB LEU 26 -7.578 4.774 -8.454 194 HG LEU 26 HG LEU 26 -7.344 4.201 -10.964 195 HD11 LEU 26 1HD1 LEU 26 -8.088 1.901 -10.717 196 HD12 LEU 26 2HD1 LEU 26 -9.033 2.336 -9.292 197 HD13 LEU 26 3HD1 LEU 26 -7.272 2.469 -9.258 198 HD21 LEU 26 3HD2 LEU 26 -9.349 3.542 -12.180 199 HD22 LEU 26 1HD2 LEU 26 -9.427 5.245 -11.726 200 HD23 LEU 26 2HD2 LEU 26 -10.366 4.048 -10.831 201 H LEU 27 H LEU 27 -8.918 4.657 -6.169 202 HA LEU 27 HA LEU 27 -9.827 1.958 -6.121 203 HB2 LEU 27 1HB LEU 27 -8.964 3.848 -3.893 204 HB3 LEU 27 2HB LEU 27 -9.372 2.167 -3.600 205 HG LEU 27 HG LEU 27 -7.072 3.129 -5.341 206 HD11 LEU 27 1HD1 LEU 27 -5.598 2.317 -3.549 207 HD12 LEU 27 2HD1 LEU 27 -7.007 1.944 -2.550 208 HD13 LEU 27 3HD1 LEU 27 -6.650 3.617 -2.993 209 HD21 LEU 27 3HD2 LEU 27 -7.934 0.976 -6.131 210 HD22 LEU 27 1HD2 LEU 27 -7.795 0.300 -4.504 211 HD23 LEU 27 2HD2 LEU 27 -6.348 0.780 -5.393 212 H ALA 28 H ALA 28 -11.129 5.007 -4.882 213 HA ALA 28 HA ALA 28 -13.326 3.956 -3.409 214 HB1 ALA 28 3HB ALA 28 -14.103 6.286 -3.279 215 HB2 ALA 28 1HB ALA 28 -12.964 6.751 -4.549 216 HB3 ALA 28 2HB ALA 28 -12.366 6.204 -2.985 217 H ARG 29 H ARG 29 -12.938 5.040 -6.722 218 HA ARG 29 HA ARG 29 -15.723 4.934 -7.455 219 HB2 ARG 29 1HB ARG 29 -14.078 6.478 -8.530 220 HB3 ARG 29 2HB ARG 29 -13.218 5.094 -9.189 221 HG2 ARG 29 1HG ARG 29 -15.205 4.525 -10.565 222 HG3 ARG 29 2HG ARG 29 -16.060 5.913 -9.883 223 HD2 ARG 29 1HD ARG 29 -14.394 7.442 -10.873 224 HD3 ARG 29 2HD ARG 29 -13.504 6.064 -11.521 225 HE ARG 29 HE ARG 29 -15.232 5.684 -13.094 226 HH11 ARG 29 1HH1 ARG 29 -15.896 8.571 -11.184 227 HH12 ARG 29 2HH1 ARG 29 -16.947 9.252 -12.383 228 HH21 ARG 29 1HH2 ARG 29 -16.573 6.625 -14.659 229 HH22 ARG 29 2HH2 ARG 29 -17.315 8.163 -14.347 230 H ALA 30 H ALA 30 -13.010 2.724 -7.441 231 HA ALA 30 HA ALA 30 -14.152 0.898 -9.406 232 HB1 ALA 30 3HB ALA 30 -11.580 0.706 -7.822 233 HB2 ALA 30 1HB ALA 30 -11.762 1.404 -9.432 234 HB3 ALA 30 2HB ALA 30 -12.052 -0.320 -9.183 235 H GLY 31 H GLY 31 -13.003 0.484 -5.997 236 HA2 GLY 31 1HA GLY 31 -14.672 -1.962 -5.782 237 HA3 GLY 31 2HA GLY 31 -13.023 -1.849 -5.205 238 H ARG 32 H ARG 32 -12.992 0.572 -4.057 239 HA ARG 32 HA ARG 32 -12.894 1.298 -1.917 240 HB2 ARG 32 1HB ARG 32 -14.834 2.413 -3.174 241 HB3 ARG 32 2HB ARG 32 -15.907 1.414 -2.201 242 HG2 ARG 32 1HG ARG 32 -14.986 2.473 -0.143 243 HG3 ARG 32 2HG ARG 32 -13.939 3.481 -1.143 244 HD2 ARG 32 1HD ARG 32 -15.918 4.728 -0.415 245 HD3 ARG 32 2HD ARG 32 -15.921 4.521 -2.175 246 HE ARG 32 HE ARG 32 -17.404 2.568 -0.586 247 HH11 ARG 32 1HH1 ARG 32 -17.573 5.369 -2.684 248 HH12 ARG 32 2HH1 ARG 32 -19.285 5.225 -2.917 249 HH21 ARG 32 1HH2 ARG 32 -19.631 2.394 -0.905 250 HH22 ARG 32 2HH2 ARG 32 -20.448 3.552 -1.903 251 H ASP 33 H ASP 33 -12.578 -1.401 -1.580 252 HA ASP 33 HA ASP 33 -13.448 -1.991 0.991 253 HB2 ASP 33 1HB ASP 33 -15.704 -2.271 0.048 254 HB3 ASP 33 2HB ASP 33 -15.090 -3.389 -1.172 255 H GLY 34 H GLY 34 -11.237 -2.458 1.057 256 HA2 GLY 34 1HA GLY 34 -9.579 -4.073 1.347 257 HA3 GLY 34 2HA GLY 34 -10.495 -5.195 0.350 258 H SER 35 H SER 35 -10.074 -2.002 -0.877 259 HA SER 35 HA SER 35 -8.829 -3.069 -3.265 260 HB2 SER 35 1HB SER 35 -9.794 -0.227 -2.729 261 HB3 SER 35 2HB SER 35 -9.525 -0.988 -4.299 262 HG SER 35 HG SER 35 -11.210 -2.538 -3.528 263 H PHE 36 H PHE 36 -6.625 -2.973 -3.572 264 HA PHE 36 HA PHE 36 -5.105 -0.780 -2.278 265 HB2 PHE 36 1HB PHE 36 -3.350 -2.218 -1.595 266 HB3 PHE 36 2HB PHE 36 -4.805 -3.090 -1.143 267 HD1 PHE 36 HD2 PHE 36 -5.503 -5.124 -2.503 268 HD2 PHE 36 HD1 PHE 36 -1.755 -3.168 -3.188 269 HE1 PHE 36 HE2 PHE 36 -4.680 -7.097 -3.718 270 HE2 PHE 36 HE1 PHE 36 -0.951 -5.153 -4.402 271 HZ PHE 36 HZ PHE 36 -2.411 -7.119 -4.668 272 H LEU 37 H LEU 37 -3.226 -0.117 -3.376 273 HA LEU 37 HA LEU 37 -2.336 -1.517 -5.732 274 HB2 LEU 37 1HB LEU 37 -2.301 0.524 -7.198 275 HB3 LEU 37 2HB LEU 37 -3.904 -0.078 -6.834 276 HG LEU 37 HG LEU 37 -4.050 1.806 -5.068 277 HD11 LEU 37 1HD1 LEU 37 -1.708 2.459 -4.927 278 HD12 LEU 37 2HD1 LEU 37 -2.705 3.814 -5.445 279 HD13 LEU 37 3HD1 LEU 37 -1.716 2.951 -6.625 280 HD21 LEU 37 3HD2 LEU 37 -5.334 1.832 -7.148 281 HD22 LEU 37 1HD2 LEU 37 -3.976 2.573 -8.001 282 HD23 LEU 37 2HD2 LEU 37 -4.804 3.455 -6.713 283 H VAL 38 H VAL 38 -0.291 -0.618 -6.514 284 HA VAL 38 HA VAL 38 1.301 0.881 -4.548 285 HB VAL 38 HB VAL 38 2.310 -1.315 -6.445 286 HG11 VAL 38 1HG1 VAL 38 4.004 0.459 -6.169 287 HG12 VAL 38 2HG1 VAL 38 4.520 -1.020 -5.354 288 HG13 VAL 38 3HG1 VAL 38 3.875 0.325 -4.412 289 HG21 VAL 38 3HG2 VAL 38 2.808 -2.619 -4.411 290 HG22 VAL 38 1HG2 VAL 38 1.081 -2.269 -4.529 291 HG23 VAL 38 2HG2 VAL 38 2.098 -1.349 -3.416 292 H ARG 39 H ARG 39 2.688 2.403 -5.549 293 HA ARG 39 HA ARG 39 2.570 2.927 -8.410 294 HB2 ARG 39 1HB ARG 39 1.584 5.175 -8.153 295 HB3 ARG 39 2HB ARG 39 0.452 3.980 -7.528 296 HG2 ARG 39 1HG ARG 39 1.147 4.498 -5.226 297 HG3 ARG 39 2HG ARG 39 2.316 5.673 -5.834 298 HD2 ARG 39 1HD ARG 39 0.291 6.871 -6.918 299 HD3 ARG 39 2HD ARG 39 -0.708 5.843 -5.876 300 HE ARG 39 HE ARG 39 0.138 6.938 -3.978 301 HH11 ARG 39 1HH1 ARG 39 1.422 8.358 -6.920 302 HH12 ARG 39 2HH1 ARG 39 2.154 9.695 -6.095 303 HH21 ARG 39 1HH2 ARG 39 1.174 8.696 -2.914 304 HH22 ARG 39 2HH2 ARG 39 2.010 9.879 -3.864 305 H ASP 40 H ASP 40 3.810 5.193 -8.675 306 HA ASP 40 HA ASP 40 6.073 5.305 -6.780 307 HB2 ASP 40 1HB ASP 40 7.269 6.602 -8.370 308 HB3 ASP 40 2HB ASP 40 6.425 5.425 -9.364 309 H SER 41 H SER 41 6.182 6.973 -5.304 310 HA SER 41 HA SER 41 4.182 8.961 -4.952 311 HB2 SER 41 1HB SER 41 7.098 8.922 -4.022 312 HB3 SER 41 2HB SER 41 5.841 9.992 -3.394 313 HG SER 41 HG SER 41 6.438 7.595 -2.526 314 H GLU 42 H GLU 42 4.503 11.374 -5.491 315 HA GLU 42 HA GLU 42 4.659 11.264 -8.348 316 HB2 GLU 42 1HB GLU 42 4.027 13.635 -6.543 317 HB3 GLU 42 2HB GLU 42 3.852 13.641 -8.286 318 HG2 GLU 42 1HG GLU 42 1.690 13.192 -7.776 319 HG3 GLU 42 2HG GLU 42 2.275 11.536 -7.775 320 H SER 43 H SER 43 6.882 10.864 -8.729 321 HA SER 43 HA SER 43 9.056 11.286 -9.238 322 HB2 SER 43 1HB SER 43 7.917 14.053 -9.836 323 HB3 SER 43 2HB SER 43 9.423 13.399 -10.480 324 HG SER 43 HG SER 43 6.806 12.365 -10.944 325 H VAL 44 H VAL 44 8.517 11.533 -6.462 326 HA VAL 44 HA VAL 44 9.374 14.034 -5.385 327 HB VAL 44 HB VAL 44 9.092 13.022 -3.157 328 HG11 VAL 44 1HG1 VAL 44 7.107 13.898 -4.305 329 HG12 VAL 44 2HG1 VAL 44 6.680 12.516 -3.294 330 HG13 VAL 44 3HG1 VAL 44 6.814 12.323 -5.046 331 HG21 VAL 44 3HG2 VAL 44 9.969 10.756 -3.590 332 HG22 VAL 44 1HG2 VAL 44 8.569 10.389 -4.603 333 HG23 VAL 44 2HG2 VAL 44 8.360 10.677 -2.871 334 H ALA 45 H ALA 45 10.973 10.854 -5.706 335 HA ALA 45 HA ALA 45 13.618 11.785 -5.317 336 HB1 ALA 45 3HB ALA 45 12.849 12.132 -2.976 337 HB2 ALA 45 1HB ALA 45 14.088 10.880 -3.069 338 HB3 ALA 45 2HB ALA 45 12.390 10.432 -2.872 339 H GLY 46 H GLY 46 11.622 9.671 -6.605 340 HA2 GLY 46 1HA GLY 46 11.926 7.604 -7.622 341 HA3 GLY 46 2HA GLY 46 13.461 7.409 -6.785 342 H ALA 47 H ALA 47 10.726 8.291 -4.885 343 HA ALA 47 HA ALA 47 10.754 5.765 -3.448 344 HB1 ALA 47 3HB ALA 47 10.890 7.908 -2.240 345 HB2 ALA 47 1HB ALA 47 9.447 7.008 -1.774 346 HB3 ALA 47 2HB ALA 47 9.315 8.377 -2.879 347 H PHE 48 H PHE 48 8.830 4.612 -2.906 348 HA PHE 48 HA PHE 48 6.654 4.724 -4.923 349 HB2 PHE 48 1HB PHE 48 7.524 2.435 -3.089 350 HB3 PHE 48 2HB PHE 48 6.213 2.358 -4.261 351 HD1 PHE 48 HD1 PHE 48 9.900 2.490 -3.867 352 HD2 PHE 48 HD2 PHE 48 6.661 2.063 -6.642 353 HE1 PHE 48 HE1 PHE 48 11.475 1.739 -5.600 354 HE2 PHE 48 HE2 PHE 48 8.252 1.314 -8.364 355 HZ PHE 48 HZ PHE 48 10.656 1.151 -7.850 356 H ALA 49 H ALA 49 4.438 4.487 -4.184 357 HA ALA 49 HA ALA 49 3.977 4.597 -1.247 358 HB1 ALA 49 3HB ALA 49 2.327 5.988 -3.398 359 HB2 ALA 49 1HB ALA 49 3.455 6.777 -2.297 360 HB3 ALA 49 2HB ALA 49 2.001 6.007 -1.658 361 H LEU 50 H LEU 50 2.426 3.274 -0.447 362 HA LEU 50 HA LEU 50 1.020 1.365 -2.219 363 HB2 LEU 50 1HB LEU 50 2.682 0.217 -0.823 364 HB3 LEU 50 2HB LEU 50 2.138 1.073 0.609 365 HG LEU 50 HG LEU 50 -0.035 -0.172 0.501 366 HD11 LEU 50 1HD1 LEU 50 1.245 -1.777 -1.724 367 HD12 LEU 50 2HD1 LEU 50 -0.132 -0.681 -1.878 368 HD13 LEU 50 3HD1 LEU 50 -0.281 -2.143 -0.911 369 HD21 LEU 50 3HD2 LEU 50 0.823 -2.323 1.318 370 HD22 LEU 50 1HD2 LEU 50 1.744 -0.969 1.971 371 HD23 LEU 50 2HD2 LEU 50 2.421 -1.948 0.667 372 H CYS 51 H CYS 51 -1.069 2.070 -2.366 373 HA CYS 51 HA CYS 51 -2.311 3.530 -0.111 374 HB2 CYS 51 1HB CYS 51 -2.131 4.771 -2.288 375 HB3 CYS 51 2HB CYS 51 -3.082 3.512 -3.068 376 HG CYS 51 HG CYS 51 -5.327 4.039 -1.341 377 H VAL 52 H VAL 52 -3.683 2.313 1.052 378 HA VAL 52 HA VAL 52 -5.080 -0.006 -0.174 379 HB VAL 52 HB VAL 52 -3.995 0.157 2.681 380 HG11 VAL 52 1HG1 VAL 52 -6.062 -1.198 2.558 381 HG12 VAL 52 2HG1 VAL 52 -4.662 -2.224 2.880 382 HG13 VAL 52 3HG1 VAL 52 -5.352 -2.169 1.258 383 HG21 VAL 52 3HG2 VAL 52 -2.354 -1.558 2.016 384 HG22 VAL 52 1HG2 VAL 52 -2.149 -0.092 1.061 385 HG23 VAL 52 2HG2 VAL 52 -2.945 -1.504 0.356 386 H LEU 53 H LEU 53 -7.240 -0.108 0.234 387 HA LEU 53 HA LEU 53 -8.515 1.917 1.955 388 HB2 LEU 53 1HB LEU 53 -8.651 2.805 -0.264 389 HB3 LEU 53 2HB LEU 53 -8.970 1.231 -0.968 390 HG LEU 53 HG LEU 53 -11.275 1.270 -0.166 391 HD11 LEU 53 1HD1 LEU 53 -12.306 3.172 0.964 392 HD12 LEU 53 2HD1 LEU 53 -10.735 3.953 1.125 393 HD13 LEU 53 3HD1 LEU 53 -11.056 2.442 1.967 394 HD21 LEU 53 3HD2 LEU 53 -10.840 2.295 -2.310 395 HD22 LEU 53 1HD2 LEU 53 -10.495 3.853 -1.545 396 HD23 LEU 53 2HD2 LEU 53 -12.124 3.173 -1.487 397 H TYR 54 H TYR 54 -10.299 1.227 2.980 398 HA TYR 54 HA TYR 54 -11.709 -1.205 2.370 399 HB2 TYR 54 1HB TYR 54 -9.793 -2.059 3.760 400 HB3 TYR 54 2HB TYR 54 -10.256 -0.968 5.064 401 HD1 TYR 54 HD1 TYR 54 -11.730 -3.676 2.908 402 HD2 TYR 54 HD2 TYR 54 -11.662 -1.850 6.772 403 HE1 TYR 54 HE1 TYR 54 -13.276 -5.393 3.751 404 HE2 TYR 54 HE2 TYR 54 -13.205 -3.573 7.616 405 HH TYR 54 HH TYR 54 -13.920 -6.419 5.892 406 H GLN 55 H GLN 55 -13.718 -0.500 2.513 407 HA GLN 55 HA GLN 55 -15.553 0.775 2.968 408 HB2 GLN 55 1HB GLN 55 -14.782 -0.154 5.751 409 HB3 GLN 55 2HB GLN 55 -16.400 0.341 5.254 410 HG2 GLN 55 1HG GLN 55 -16.439 -1.533 3.618 411 HG3 GLN 55 2HG GLN 55 -14.849 -2.041 4.187 412 HE21 GLN 55 2HE2 GLN 55 -15.418 -1.535 7.027 413 HE22 GLN 55 1HE2 GLN 55 -16.510 -2.777 7.514 414 H LYS 56 H LYS 56 -14.447 2.784 2.348 415 HA LYS 56 HA LYS 56 -14.020 5.002 2.510 416 HB2 LYS 56 1HB LYS 56 -15.757 4.728 4.992 417 HB3 LYS 56 2HB LYS 56 -15.254 6.279 4.320 418 HG2 LYS 56 1HG LYS 56 -16.464 5.776 2.232 419 HG3 LYS 56 2HG LYS 56 -16.964 4.210 2.895 420 HD2 LYS 56 1HD LYS 56 -18.220 5.343 4.685 421 HD3 LYS 56 2HD LYS 56 -17.664 6.919 4.108 422 HE2 LYS 56 1HE LYS 56 -18.919 6.655 2.039 423 HE3 LYS 56 2HE LYS 56 -19.398 5.018 2.489 424 HZ1 LYS 56 3HZ LYS 56 -21.158 6.599 2.905 425 HZ2 LYS 56 1HZ LYS 56 -20.156 7.505 3.917 426 HZ3 LYS 56 2HZ LYS 56 -20.616 5.941 4.365 427 H HIS 57 H HIS 57 -12.132 3.143 3.943 428 HA HIS 57 HA HIS 57 -10.706 5.209 5.526 429 HB2 HIS 57 1HB HIS 57 -11.710 3.589 7.113 430 HB3 HIS 57 2HB HIS 57 -10.932 2.252 6.276 431 HD1 HIS 57 HD1 HIS 57 -8.648 1.616 7.084 432 HD2 HIS 57 HD2 HIS 57 -9.804 5.370 8.447 433 HE1 HIS 57 HE1 HIS 57 -6.839 2.340 8.680 434 HE2 HIS 57 HE2 HIS 57 -7.472 4.687 9.332 435 H VAL 58 H VAL 58 -9.110 5.725 4.184 436 HA VAL 58 HA VAL 58 -7.571 3.662 2.735 437 HB VAL 58 HB VAL 58 -7.468 6.691 2.329 438 HG11 VAL 58 1HG1 VAL 58 -6.366 4.421 0.610 439 HG12 VAL 58 2HG1 VAL 58 -5.420 5.561 1.574 440 HG13 VAL 58 3HG1 VAL 58 -6.338 6.135 0.181 441 HG21 VAL 58 3HG2 VAL 58 -8.837 6.375 0.325 442 HG22 VAL 58 1HG2 VAL 58 -9.710 5.863 1.765 443 HG23 VAL 58 2HG2 VAL 58 -9.008 4.657 0.683 444 H HIS 59 H HIS 59 -5.931 2.970 4.057 445 HA HIS 59 HA HIS 59 -4.259 4.994 5.406 446 HB2 HIS 59 1HB HIS 59 -5.155 2.875 6.662 447 HB3 HIS 59 2HB HIS 59 -3.978 1.968 5.722 448 HD1 HIS 59 HD1 HIS 59 -2.587 1.363 7.837 449 HD2 HIS 59 HD2 HIS 59 -2.990 5.455 7.211 450 HE1 HIS 59 HE1 HIS 59 -1.016 2.459 9.466 451 HE2 HIS 59 HE2 HIS 59 -1.433 4.923 9.201 452 H THR 60 H THR 60 -2.341 5.474 4.482 453 HA THR 60 HA THR 60 -1.481 3.981 2.080 454 HB THR 60 HB THR 60 -1.466 7.022 2.423 455 HG1 THR 60 HG1 THR 60 -3.538 5.722 2.003 456 HG21 THR 60 3HG2 THR 60 -0.794 5.327 -0.023 457 HG22 THR 60 1HG2 THR 60 0.375 6.231 0.950 458 HG23 THR 60 2HG2 THR 60 -0.856 7.090 0.019 459 H TYR 61 H TYR 61 0.760 3.868 1.789 460 HA TYR 61 HA TYR 61 2.440 4.491 4.147 461 HB2 TYR 61 1HB TYR 61 2.630 1.926 2.486 462 HB3 TYR 61 2HB TYR 61 3.408 2.269 4.029 463 HD1 TYR 61 HD2 TYR 61 1.971 2.388 6.132 464 HD2 TYR 61 HD1 TYR 61 0.411 0.953 2.424 465 HE1 TYR 61 HE2 TYR 61 0.101 1.336 7.319 466 HE2 TYR 61 HE1 TYR 61 -1.471 -0.084 3.617 467 HH TYR 61 HH TYR 61 -1.940 -0.944 5.932 468 H ARG 62 H ARG 62 3.612 6.175 3.215 469 HA ARG 62 HA ARG 62 4.553 6.030 0.462 470 HB2 ARG 62 1HB ARG 62 5.158 8.071 2.634 471 HB3 ARG 62 2HB ARG 62 5.627 8.218 0.940 472 HG2 ARG 62 1HG ARG 62 3.209 8.261 0.325 473 HG3 ARG 62 2HG ARG 62 2.802 8.199 2.045 474 HD2 ARG 62 1HD ARG 62 2.677 10.500 1.325 475 HD3 ARG 62 2HD ARG 62 4.089 10.338 2.371 476 HE ARG 62 HE ARG 62 4.097 10.642 -0.568 477 HH11 ARG 62 1HH1 ARG 62 5.934 10.661 2.440 478 HH12 ARG 62 2HH1 ARG 62 7.295 11.478 1.735 479 HH21 ARG 62 1HH2 ARG 62 5.925 11.631 -1.481 480 HH22 ARG 62 2HH2 ARG 62 7.299 11.992 -0.487 481 H ILE 63 H ILE 63 5.894 4.294 0.424 482 HA ILE 63 HA ILE 63 8.079 3.806 2.097 483 HB ILE 63 HB ILE 63 7.816 2.898 -0.802 484 HG12 ILE 63 1HG1 ILE 63 6.568 1.301 1.466 485 HG13 ILE 63 2HG1 ILE 63 5.645 2.599 0.732 486 HG21 ILE 63 1HG2 ILE 63 9.038 1.526 1.623 487 HG22 ILE 63 2HG2 ILE 63 9.927 2.300 0.307 488 HG23 ILE 63 3HG2 ILE 63 8.958 0.857 -0.007 489 HD11 ILE 63 3HD1 ILE 63 5.088 0.465 -0.244 490 HD12 ILE 63 1HD1 ILE 63 6.767 0.211 -0.708 491 HD13 ILE 63 2HD1 ILE 63 5.835 1.514 -1.451 492 H LEU 64 H LEU 64 9.806 5.064 2.265 493 HA LEU 64 HA LEU 64 10.920 6.567 -0.024 494 HB2 LEU 64 1HB LEU 64 10.624 7.328 2.897 495 HB3 LEU 64 2HB LEU 64 11.988 7.951 1.995 496 HG LEU 64 HG LEU 64 10.443 9.065 0.397 497 HD11 LEU 64 1HD1 LEU 64 8.480 7.647 0.518 498 HD12 LEU 64 2HD1 LEU 64 8.040 9.306 0.913 499 HD13 LEU 64 3HD1 LEU 64 8.202 8.106 2.199 500 HD21 LEU 64 3HD2 LEU 64 9.707 10.867 1.911 501 HD22 LEU 64 1HD2 LEU 64 11.343 10.329 2.293 502 HD23 LEU 64 2HD2 LEU 64 9.987 9.825 3.306 503 HA PRO 65 HA PRO 65 14.304 3.530 0.887 504 HB2 PRO 65 1HB PRO 65 15.276 4.794 -1.668 505 HB3 PRO 65 2HB PRO 65 15.209 3.083 -1.211 506 HG2 PRO 65 1HG PRO 65 13.440 4.087 -2.949 507 HG3 PRO 65 2HG PRO 65 12.929 2.896 -1.735 508 HD2 PRO 65 1HD PRO 65 12.539 5.889 -1.737 509 HD3 PRO 65 2HD PRO 65 11.409 4.601 -1.255 510 H ASP 66 H ASP 66 14.974 6.672 -0.713 511 HA ASP 66 HA ASP 66 16.185 8.494 -0.211 512 HB2 ASP 66 1HB ASP 66 14.428 8.537 1.638 513 HB3 ASP 66 2HB ASP 66 15.612 7.789 2.710 514 H GLY 67 H GLY 67 17.602 6.273 -0.799 515 HA2 GLY 67 1HA GLY 67 20.180 6.221 -0.172 516 HA3 GLY 67 2HA GLY 67 19.481 5.442 1.254 517 H GLU 68 H GLU 68 21.004 3.653 0.009 518 HA GLU 68 HA GLU 68 19.372 2.239 -2.021 519 HB2 GLU 68 1HB GLU 68 21.525 1.222 -2.761 520 HB3 GLU 68 2HB GLU 68 21.533 2.977 -2.884 521 HG2 GLU 68 1HG GLU 68 22.851 3.157 -0.826 522 HG3 GLU 68 2HG GLU 68 22.807 1.400 -0.633 523 H ASP 69 H ASP 69 20.415 2.151 1.193 524 HA ASP 69 HA ASP 69 21.047 -0.585 1.552 525 HB2 ASP 69 1HB ASP 69 21.859 1.085 3.116 526 HB3 ASP 69 2HB ASP 69 20.218 1.576 3.530 527 H PHE 70 H PHE 70 18.294 0.783 3.376 528 HA PHE 70 HA PHE 70 16.481 -1.183 2.115 529 HB2 PHE 70 1HB PHE 70 16.823 -0.676 5.100 530 HB3 PHE 70 2HB PHE 70 15.398 -1.464 4.431 531 HD1 PHE 70 HD1 PHE 70 15.736 -3.620 3.060 532 HD2 PHE 70 HD2 PHE 70 18.790 -2.003 5.568 533 HE1 PHE 70 HE1 PHE 70 16.868 -5.796 3.089 534 HE2 PHE 70 HE2 PHE 70 19.925 -4.189 5.588 535 HZ PHE 70 HZ PHE 70 18.962 -6.089 4.350 536 H LEU 71 H LEU 71 14.341 -0.688 2.086 537 HA LEU 71 HA LEU 71 13.393 1.996 2.836 538 HB2 LEU 71 1HB LEU 71 11.593 1.495 1.007 539 HB3 LEU 71 2HB LEU 71 13.157 2.086 0.513 540 HG LEU 71 HG LEU 71 12.646 -0.906 0.461 541 HD11 LEU 71 1HD1 LEU 71 11.741 1.001 -1.718 542 HD12 LEU 71 2HD1 LEU 71 10.708 -0.002 -0.696 543 HD13 LEU 71 3HD1 LEU 71 11.803 -0.760 -1.847 544 HD21 LEU 71 3HD2 LEU 71 14.357 0.886 -1.316 545 HD22 LEU 71 1HD2 LEU 71 14.253 -0.878 -1.398 546 HD23 LEU 71 2HD2 LEU 71 14.943 -0.103 0.025 547 H ALA 72 H ALA 72 12.228 1.769 4.640 548 HA ALA 72 HA ALA 72 10.942 -0.796 5.303 549 HB1 ALA 72 3HB ALA 72 12.497 0.183 6.944 550 HB2 ALA 72 1HB ALA 72 10.861 0.070 7.602 551 HB3 ALA 72 2HB ALA 72 11.489 1.628 7.052 552 H VAL 73 H VAL 73 8.801 -1.042 5.453 553 HA VAL 73 HA VAL 73 7.032 1.189 4.637 554 HB VAL 73 HB VAL 73 6.392 -1.797 4.678 555 HG11 VAL 73 1HG1 VAL 73 4.372 -0.372 4.770 556 HG12 VAL 73 2HG1 VAL 73 4.478 -1.194 3.213 557 HG13 VAL 73 3HG1 VAL 73 4.906 0.517 3.336 558 HG21 VAL 73 3HG2 VAL 73 6.785 -1.784 2.237 559 HG22 VAL 73 1HG2 VAL 73 8.250 -1.346 3.113 560 HG23 VAL 73 2HG2 VAL 73 7.297 -0.097 2.310 561 H GLN 74 H GLN 74 5.943 2.164 6.260 562 HA GLN 74 HA GLN 74 5.996 0.957 8.934 563 HB2 GLN 74 1HB GLN 74 5.192 3.798 8.166 564 HB3 GLN 74 2HB GLN 74 5.638 3.203 9.767 565 HG2 GLN 74 1HG GLN 74 7.475 3.479 7.366 566 HG3 GLN 74 2HG GLN 74 7.441 4.526 8.780 567 HE21 GLN 74 2HE2 GLN 74 7.220 2.385 10.753 568 HE22 GLN 74 1HE2 GLN 74 8.751 1.590 10.783 569 H THR 75 H THR 75 4.314 -0.484 8.926 570 HA THR 75 HA THR 75 1.713 -0.089 7.879 571 HB THR 75 HB THR 75 1.086 -2.095 9.273 572 HG1 THR 75 HG1 THR 75 2.671 -3.029 10.570 573 HG21 THR 75 3HG2 THR 75 2.624 -3.688 8.207 574 HG22 THR 75 1HG2 THR 75 3.724 -2.372 7.794 575 HG23 THR 75 2HG2 THR 75 2.118 -2.444 7.061 576 H SER 76 H SER 76 3.137 0.799 10.905 577 HA SER 76 HA SER 76 0.655 2.022 11.883 578 HB2 SER 76 1HB SER 76 0.825 -0.312 12.843 579 HB3 SER 76 2HB SER 76 2.378 0.124 13.555 580 HG SER 76 HG SER 76 -0.172 1.244 14.150 581 H GLN 77 H GLN 77 1.570 2.891 14.323 582 HA GLN 77 HA GLN 77 2.735 5.301 13.673 583 HB2 GLN 77 1HB GLN 77 1.356 4.976 15.654 584 HB3 GLN 77 2HB GLN 77 2.561 3.912 16.365 585 HG2 GLN 77 1HG GLN 77 4.119 5.825 16.565 586 HG3 GLN 77 2HG GLN 77 2.900 6.886 15.860 587 HE21 GLN 77 2HE2 GLN 77 1.095 7.471 17.100 588 HE22 GLN 77 1HE2 GLN 77 1.031 7.240 18.811 589 H GLY 78 H GLY 78 4.321 2.677 15.497 590 HA2 GLY 78 1HA GLY 78 6.788 2.905 14.060 591 HA3 GLY 78 2HA GLY 78 6.892 3.658 15.651 592 H VAL 79 H VAL 79 5.086 0.802 14.612 593 HA VAL 79 HA VAL 79 5.948 -0.831 16.805 594 HB VAL 79 HB VAL 79 4.745 -2.664 15.608 595 HG11 VAL 79 1HG1 VAL 79 2.472 -1.646 15.614 596 HG12 VAL 79 2HG1 VAL 79 3.198 -0.040 15.683 597 HG13 VAL 79 3HG1 VAL 79 3.430 -1.163 17.024 598 HG21 VAL 79 3HG2 VAL 79 5.375 -2.112 13.287 599 HG22 VAL 79 1HG2 VAL 79 4.395 -0.648 13.340 600 HG23 VAL 79 2HG2 VAL 79 3.621 -2.234 13.428 601 HA PRO 80 HA PRO 80 9.531 -2.988 14.805 602 HB2 PRO 80 1HB PRO 80 9.237 -5.568 15.695 603 HB3 PRO 80 2HB PRO 80 9.829 -4.266 16.732 604 HG2 PRO 80 1HG PRO 80 7.037 -5.392 16.516 605 HG3 PRO 80 2HG PRO 80 7.986 -5.031 17.977 606 HD2 PRO 80 1HD PRO 80 6.094 -3.323 17.069 607 HD3 PRO 80 2HD PRO 80 7.587 -2.725 17.820 608 H VAL 81 H VAL 81 7.230 -2.574 13.129 609 HA VAL 81 HA VAL 81 6.684 -4.532 11.340 610 HB VAL 81 HB VAL 81 6.062 -2.020 11.405 611 HG11 VAL 81 1HG1 VAL 81 7.321 -0.469 9.969 612 HG12 VAL 81 2HG1 VAL 81 8.547 -1.707 9.691 613 HG13 VAL 81 3HG1 VAL 81 8.314 -1.050 11.311 614 HG21 VAL 81 3HG2 VAL 81 5.429 -1.949 9.069 615 HG22 VAL 81 1HG2 VAL 81 5.216 -3.583 9.697 616 HG23 VAL 81 2HG2 VAL 81 6.601 -3.202 8.673 617 H ARG 82 H ARG 82 7.887 -4.265 8.873 618 HA ARG 82 HA ARG 82 10.515 -5.486 9.418 619 HB2 ARG 82 1HB ARG 82 8.478 -6.232 7.273 620 HB3 ARG 82 2HB ARG 82 10.049 -6.994 7.500 621 HG2 ARG 82 1HG ARG 82 7.746 -7.065 9.487 622 HG3 ARG 82 2HG ARG 82 8.199 -8.367 8.385 623 HD2 ARG 82 1HD ARG 82 9.900 -7.265 10.647 624 HD3 ARG 82 2HD ARG 82 9.033 -8.802 10.653 625 HE ARG 82 HE ARG 82 11.435 -8.138 9.099 626 HH11 ARG 82 1HH1 ARG 82 9.141 -10.633 10.065 627 HH12 ARG 82 2HH1 ARG 82 10.127 -11.930 9.472 628 HH21 ARG 82 1HH2 ARG 82 12.708 -9.831 8.342 629 HH22 ARG 82 2HH2 ARG 82 12.164 -11.470 8.502 630 H ARG 83 H ARG 83 12.185 -4.888 8.087 631 HA ARG 83 HA ARG 83 11.808 -2.521 6.388 632 HB2 ARG 83 1HB ARG 83 14.408 -3.820 7.331 633 HB3 ARG 83 2HB ARG 83 14.230 -2.234 6.578 634 HG2 ARG 83 1HG ARG 83 13.026 -1.396 8.550 635 HG3 ARG 83 2HG ARG 83 13.095 -2.994 9.300 636 HD2 ARG 83 1HD ARG 83 15.600 -2.830 9.294 637 HD3 ARG 83 2HD ARG 83 15.453 -1.184 8.659 638 HE ARG 83 HE ARG 83 14.139 -1.858 11.205 639 HH11 ARG 83 1HH1 ARG 83 16.691 -0.099 9.541 640 HH12 ARG 83 2HH1 ARG 83 17.108 0.837 10.939 641 HH21 ARG 83 1HH2 ARG 83 14.747 -0.662 13.027 642 HH22 ARG 83 2HH2 ARG 83 16.023 0.504 12.907 643 H PHE 84 H PHE 84 11.943 -2.693 4.230 644 HA PHE 84 HA PHE 84 12.664 -5.320 3.030 645 HB2 PHE 84 1HB PHE 84 10.659 -3.268 1.987 646 HB3 PHE 84 2HB PHE 84 11.049 -4.808 1.222 647 HD1 PHE 84 HD2 PHE 84 10.606 -6.963 2.595 648 HD2 PHE 84 HD1 PHE 84 8.910 -3.170 3.569 649 HE1 PHE 84 HE2 PHE 84 8.872 -8.077 3.936 650 HE2 PHE 84 HE1 PHE 84 7.197 -4.289 4.911 651 HZ PHE 84 HZ PHE 84 7.166 -6.740 5.100 652 H GLN 85 H GLN 85 13.508 -5.195 0.852 653 HA GLN 85 HA GLN 85 14.584 -2.586 -0.032 654 HB2 GLN 85 1HB GLN 85 16.351 -4.123 0.992 655 HB3 GLN 85 2HB GLN 85 16.052 -5.240 -0.327 656 HG2 GLN 85 1HG GLN 85 16.800 -3.517 -1.941 657 HG3 GLN 85 2HG GLN 85 17.106 -2.406 -0.605 658 HE21 GLN 85 2HE2 GLN 85 19.313 -2.227 -1.030 659 HE22 GLN 85 1HE2 GLN 85 20.430 -3.528 -0.821 660 H THR 86 H THR 86 12.475 -5.042 -0.612 661 HA THR 86 HA THR 86 12.445 -4.742 -3.527 662 HB THR 86 HB THR 86 12.552 -7.449 -2.095 663 HG1 THR 86 HG1 THR 86 14.444 -5.886 -3.394 664 HG21 THR 86 3HG2 THR 86 12.486 -8.475 -4.334 665 HG22 THR 86 1HG2 THR 86 12.291 -6.883 -5.073 666 HG23 THR 86 2HG2 THR 86 11.017 -7.542 -4.044 667 H LEU 87 H LEU 87 10.412 -4.697 -4.311 668 HA LEU 87 HA LEU 87 8.163 -4.362 -2.605 669 HB2 LEU 87 1HB LEU 87 8.258 -4.755 -5.626 670 HB3 LEU 87 2HB LEU 87 6.856 -4.177 -4.730 671 HG LEU 87 HG LEU 87 9.530 -2.700 -4.915 672 HD11 LEU 87 1HD1 LEU 87 8.407 -1.125 -6.413 673 HD12 LEU 87 2HD1 LEU 87 6.939 -2.103 -6.381 674 HD13 LEU 87 3HD1 LEU 87 8.416 -2.749 -7.099 675 HD21 LEU 87 3HD2 LEU 87 6.873 -1.762 -3.759 676 HD22 LEU 87 1HD2 LEU 87 8.347 -0.799 -3.903 677 HD23 LEU 87 2HD2 LEU 87 8.312 -2.194 -2.829 678 H GLY 88 H GLY 88 9.371 -7.123 -4.447 679 HA2 GLY 88 1HA GLY 88 7.239 -8.893 -4.359 680 HA3 GLY 88 2HA GLY 88 8.927 -9.376 -4.279 681 H GLU 89 H GLU 89 9.728 -8.443 -1.850 682 HA GLU 89 HA GLU 89 8.753 -10.343 0.019 683 HB2 GLU 89 1HB GLU 89 10.441 -7.845 0.490 684 HB3 GLU 89 2HB GLU 89 10.239 -9.160 1.645 685 HG2 GLU 89 1HG GLU 89 11.528 -9.423 -1.093 686 HG3 GLU 89 2HG GLU 89 12.405 -9.219 0.421 687 H LEU 90 H LEU 90 8.134 -6.939 -0.506 688 HA LEU 90 HA LEU 90 6.671 -6.225 1.764 689 HB2 LEU 90 1HB LEU 90 7.685 -4.711 0.054 690 HB3 LEU 90 2HB LEU 90 6.465 -5.202 -1.098 691 HG LEU 90 HG LEU 90 5.829 -3.665 1.462 692 HD11 LEU 90 1HD1 LEU 90 7.343 -2.350 0.060 693 HD12 LEU 90 2HD1 LEU 90 5.726 -1.654 0.061 694 HD13 LEU 90 3HD1 LEU 90 6.284 -2.581 -1.337 695 HD21 LEU 90 3HD2 LEU 90 3.839 -4.769 0.539 696 HD22 LEU 90 1HD2 LEU 90 4.166 -4.083 -1.054 697 HD23 LEU 90 2HD2 LEU 90 3.729 -3.028 0.292 698 H ILE 91 H ILE 91 5.386 -7.007 -1.491 699 HA ILE 91 HA ILE 91 2.672 -7.056 -0.820 700 HB ILE 91 HB ILE 91 4.028 -8.502 -3.143 701 HG12 ILE 91 1HG1 ILE 91 4.598 -6.066 -3.065 702 HG13 ILE 91 2HG1 ILE 91 3.655 -6.482 -4.486 703 HG21 ILE 91 1HG2 ILE 91 1.728 -9.283 -2.852 704 HG22 ILE 91 2HG2 ILE 91 1.835 -8.289 -4.305 705 HG23 ILE 91 3HG2 ILE 91 1.130 -7.622 -2.830 706 HD11 ILE 91 3HD1 ILE 91 3.008 -4.355 -3.514 707 HD12 ILE 91 1HD1 ILE 91 2.579 -5.155 -2.002 708 HD13 ILE 91 2HD1 ILE 91 1.676 -5.511 -3.482 709 H GLY 92 H GLY 92 5.026 -9.673 -1.148 710 HA2 GLY 92 1HA GLY 92 3.460 -11.917 -0.738 711 HA3 GLY 92 2HA GLY 92 5.144 -11.785 -0.265 712 H LEU 93 H LEU 93 5.164 -10.030 1.786 713 HA LEU 93 HA LEU 93 4.129 -11.480 3.992 714 HB2 LEU 93 1HB LEU 93 6.165 -9.870 3.880 715 HB3 LEU 93 2HB LEU 93 5.015 -8.569 4.115 716 HG LEU 93 HG LEU 93 5.402 -10.864 6.097 717 HD11 LEU 93 1HD1 LEU 93 7.484 -9.618 5.927 718 HD12 LEU 93 2HD1 LEU 93 6.711 -9.330 7.482 719 HD13 LEU 93 3HD1 LEU 93 6.633 -8.099 6.217 720 HD21 LEU 93 3HD2 LEU 93 3.212 -9.757 6.357 721 HD22 LEU 93 1HD2 LEU 93 4.010 -8.191 6.521 722 HD23 LEU 93 2HD2 LEU 93 4.256 -9.446 7.741 723 H TYR 94 H TYR 94 3.158 -8.282 2.644 724 HA TYR 94 HA TYR 94 1.209 -7.839 4.683 725 HB2 TYR 94 1HB TYR 94 1.902 -6.293 2.175 726 HB3 TYR 94 2HB TYR 94 0.709 -5.744 3.348 727 HD1 TYR 94 HD1 TYR 94 2.354 -6.806 5.818 728 HD2 TYR 94 HD2 TYR 94 3.334 -4.338 2.478 729 HE1 TYR 94 HE1 TYR 94 4.070 -5.689 7.154 730 HE2 TYR 94 HE2 TYR 94 5.058 -3.226 3.815 731 HH TYR 94 HH TYR 94 5.591 -2.814 6.225 732 H ALA 95 H ALA 95 0.963 -9.531 1.699 733 HA ALA 95 HA ALA 95 -1.762 -9.425 1.206 734 HB1 ALA 95 3HB ALA 95 0.040 -11.869 1.124 735 HB2 ALA 95 1HB ALA 95 -0.140 -10.675 -0.162 736 HB3 ALA 95 2HB ALA 95 -1.509 -11.696 0.288 737 H GLN 96 H GLN 96 -0.196 -10.519 4.071 738 HA GLN 96 HA GLN 96 -2.533 -12.013 5.082 739 HB2 GLN 96 1HB GLN 96 -1.189 -12.675 6.943 740 HB3 GLN 96 2HB GLN 96 -0.092 -12.732 5.570 741 HG2 GLN 96 1HG GLN 96 0.749 -10.453 6.259 742 HG3 GLN 96 2HG GLN 96 -0.225 -10.596 7.722 743 HE21 GLN 96 2HE2 GLN 96 1.534 -10.572 9.120 744 HE22 GLN 96 1HE2 GLN 96 2.687 -11.853 9.207 745 HA PRO 97 HA PRO 97 -3.762 -8.201 7.307 746 HB2 PRO 97 1HB PRO 97 -6.000 -9.060 8.471 747 HB3 PRO 97 2HB PRO 97 -5.888 -9.043 6.703 748 HG2 PRO 97 1HG PRO 97 -5.597 -11.366 8.602 749 HG3 PRO 97 2HG PRO 97 -6.462 -11.291 7.052 750 HD2 PRO 97 1HD PRO 97 -3.833 -12.267 7.407 751 HD3 PRO 97 2HD PRO 97 -4.549 -11.784 5.852 752 H ASN 98 H ASN 98 -4.770 -7.941 9.741 753 HA ASN 98 HA ASN 98 -4.267 -7.660 11.922 754 HB2 ASN 98 1HB ASN 98 -5.325 -9.925 11.908 755 HB3 ASN 98 2HB ASN 98 -3.733 -10.655 11.798 756 HD21 ASN 98 2HD2 ASN 98 -4.022 -11.786 13.732 757 HD22 ASN 98 1HD2 ASN 98 -4.025 -11.021 15.281 758 H GLN 99 H GLN 99 -2.400 -6.476 10.977 759 HA GLN 99 HA GLN 99 -0.087 -6.693 12.525 760 HB2 GLN 99 1HB GLN 99 1.666 -7.220 10.754 761 HB3 GLN 99 2HB GLN 99 0.699 -8.578 11.288 762 HG2 GLN 99 1HG GLN 99 0.923 -8.887 8.972 763 HG3 GLN 99 2HG GLN 99 -0.703 -8.249 9.174 764 HE21 GLN 99 2HE2 GLN 99 -0.693 -7.672 6.972 765 HE22 GLN 99 1HE2 GLN 99 0.169 -6.300 6.393 766 H GLY 100 H GLY 100 -2.088 -4.938 10.745 767 HA2 GLY 100 1HA GLY 100 -1.577 -2.480 11.018 768 HA3 GLY 100 2HA GLY 100 -0.155 -2.802 10.040 769 H LEU 101 H LEU 101 -1.574 -4.735 8.295 770 HA LEU 101 HA LEU 101 -2.830 -2.848 6.486 771 HB2 LEU 101 1HB LEU 101 -1.920 -5.718 6.277 772 HB3 LEU 101 2HB LEU 101 -3.046 -5.096 5.092 773 HG LEU 101 HG LEU 101 -0.655 -5.056 4.337 774 HD11 LEU 101 1HD1 LEU 101 -2.292 -3.587 3.295 775 HD12 LEU 101 2HD1 LEU 101 -0.703 -2.831 3.356 776 HD13 LEU 101 3HD1 LEU 101 -1.960 -2.330 4.492 777 HD21 LEU 101 3HD2 LEU 101 0.897 -3.401 5.199 778 HD22 LEU 101 1HD2 LEU 101 0.422 -4.529 6.466 779 HD23 LEU 101 2HD2 LEU 101 -0.267 -2.902 6.430 780 H VAL 102 H VAL 102 -4.702 -2.277 7.239 781 HA VAL 102 HA VAL 102 -6.573 -3.438 8.826 782 HB VAL 102 HB VAL 102 -8.250 -1.816 7.909 783 HG11 VAL 102 1HG1 VAL 102 -5.479 -0.645 8.384 784 HG12 VAL 102 2HG1 VAL 102 -6.649 -1.083 9.632 785 HG13 VAL 102 3HG1 VAL 102 -7.004 0.236 8.515 786 HG21 VAL 102 3HG2 VAL 102 -7.608 -0.252 6.092 787 HG22 VAL 102 1HG2 VAL 102 -7.656 -1.917 5.505 788 HG23 VAL 102 2HG2 VAL 102 -6.106 -1.142 5.839 789 H CYS 103 H CYS 103 -6.353 -3.992 5.348 790 HA CYS 103 HA CYS 103 -8.518 -6.019 5.520 791 HB2 CYS 103 1HB CYS 103 -9.161 -5.370 3.194 792 HB3 CYS 103 2HB CYS 103 -9.396 -4.064 4.350 793 HG CYS 103 HG CYS 103 -6.792 -4.321 2.149 794 H ALA 104 H ALA 104 -5.327 -5.676 5.203 795 HA ALA 104 HA ALA 104 -3.561 -6.750 4.297 796 HB1 ALA 104 3HB ALA 104 -4.720 -8.850 4.896 797 HB2 ALA 104 1HB ALA 104 -3.795 -9.020 3.405 798 HB3 ALA 104 2HB ALA 104 -5.550 -8.842 3.341 799 H LEU 105 H LEU 105 -2.731 -7.613 2.013 800 HA LEU 105 HA LEU 105 -3.835 -5.941 -0.125 801 HB2 LEU 105 1HB LEU 105 -1.460 -7.853 -0.213 802 HB3 LEU 105 2HB LEU 105 -1.892 -6.659 -1.431 803 HG LEU 105 HG LEU 105 -0.867 -6.100 1.380 804 HD11 LEU 105 1HD1 LEU 105 0.407 -5.555 -1.312 805 HD12 LEU 105 2HD1 LEU 105 0.868 -6.815 -0.163 806 HD13 LEU 105 3HD1 LEU 105 1.066 -5.120 0.271 807 HD21 LEU 105 3HD2 LEU 105 -2.531 -4.401 0.833 808 HD22 LEU 105 1HD2 LEU 105 -1.725 -4.061 -0.701 809 HD23 LEU 105 2HD2 LEU 105 -0.915 -3.708 0.827 810 H LEU 106 H LEU 106 -5.831 -6.899 -0.358 811 HA LEU 106 HA LEU 106 -5.968 -9.779 -1.082 812 HB2 LEU 106 1HB LEU 106 -7.129 -9.080 1.062 813 HB3 LEU 106 2HB LEU 106 -8.227 -8.108 0.095 814 HG LEU 106 HG LEU 106 -8.998 -10.190 -1.083 815 HD11 LEU 106 1HD1 LEU 106 -7.001 -11.572 -0.820 816 HD12 LEU 106 2HD1 LEU 106 -8.426 -12.400 -0.200 817 HD13 LEU 106 3HD1 LEU 106 -7.272 -11.677 0.923 818 HD21 LEU 106 3HD2 LEU 106 -10.353 -11.083 0.764 819 HD22 LEU 106 1HD2 LEU 106 -10.282 -9.320 0.810 820 HD23 LEU 106 2HD2 LEU 106 -9.312 -10.270 1.937 821 H LEU 107 H LEU 107 -7.857 -6.766 -1.701 822 HA LEU 107 HA LEU 107 -8.521 -7.774 -4.424 823 HB2 LEU 107 1HB LEU 107 -9.901 -5.546 -2.847 824 HB3 LEU 107 2HB LEU 107 -10.317 -6.062 -4.473 825 HG LEU 107 HG LEU 107 -10.773 -8.396 -3.324 826 HD11 LEU 107 1HD1 LEU 107 -11.580 -8.281 -1.030 827 HD12 LEU 107 2HD1 LEU 107 -11.099 -6.587 -0.916 828 HD13 LEU 107 3HD1 LEU 107 -9.874 -7.843 -1.114 829 HD21 LEU 107 3HD2 LEU 107 -13.121 -7.798 -2.964 830 HD22 LEU 107 1HD2 LEU 107 -12.495 -7.057 -4.435 831 HD23 LEU 107 2HD2 LEU 107 -12.704 -6.081 -2.979 832 HA PRO 108 HA PRO 108 -5.663 -4.376 -5.542 833 HB2 PRO 108 1HB PRO 108 -5.860 -5.330 -8.319 834 HB3 PRO 108 2HB PRO 108 -4.454 -5.298 -7.261 835 HG2 PRO 108 1HG PRO 108 -5.675 -7.622 -8.018 836 HG3 PRO 108 2HG PRO 108 -4.831 -7.441 -6.466 837 HD2 PRO 108 1HD PRO 108 -7.795 -7.294 -7.038 838 HD3 PRO 108 2HD PRO 108 -6.947 -8.105 -5.697 839 H VAL 109 H VAL 109 -7.453 -4.752 -8.574 840 HA VAL 109 HA VAL 109 -9.622 -2.984 -7.857 841 HB VAL 109 HB VAL 109 -7.655 -2.142 -10.064 842 HG11 VAL 109 1HG1 VAL 109 -10.442 -1.092 -9.446 843 HG12 VAL 109 2HG1 VAL 109 -9.884 -1.842 -10.946 844 HG13 VAL 109 3HG1 VAL 109 -9.287 -0.246 -10.488 845 HG21 VAL 109 3HG2 VAL 109 -7.489 0.018 -8.854 846 HG22 VAL 109 1HG2 VAL 109 -6.949 -1.323 -7.843 847 HG23 VAL 109 2HG2 VAL 109 -8.540 -0.609 -7.583 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.236 -10.735 -40.722 2 H2 MET 1 2H MET 1 13.725 -11.510 -39.304 3 H3 MET 1 3H MET 1 14.620 -11.703 -40.719 4 HA MET 1 HA MET 1 15.703 -10.200 -39.197 5 HB2 MET 1 1HB MET 1 16.016 -9.902 -41.635 6 HB3 MET 1 2HB MET 1 14.602 -8.860 -41.701 7 HG2 MET 1 1HG MET 1 16.624 -7.513 -41.759 8 HG3 MET 1 2HG MET 1 15.739 -7.205 -40.270 9 HE1 MET 1 3HE MET 1 18.919 -8.893 -41.889 10 HE2 MET 1 1HE MET 1 18.112 -10.289 -41.167 11 HE3 MET 1 2HE MET 1 19.636 -9.701 -40.500 12 H GLY 2 H GLY 2 15.188 -9.112 -37.362 13 HA2 GLY 2 1HA GLY 2 14.754 -7.097 -36.300 14 HA3 GLY 2 2HA GLY 2 13.748 -6.598 -37.643 15 H HIS 3 H HIS 3 11.980 -8.872 -37.608 16 HA HIS 3 HA HIS 3 9.923 -7.708 -36.177 17 HB2 HIS 3 1HB HIS 3 10.108 -10.555 -37.251 18 HB3 HIS 3 2HB HIS 3 8.620 -9.811 -36.678 19 HD1 HIS 3 HD1 HIS 3 11.028 -9.754 -39.537 20 HD2 HIS 3 HD2 HIS 3 7.437 -7.978 -38.438 21 HE1 HIS 3 HE1 HIS 3 10.161 -8.661 -41.622 22 HE2 HIS 3 HE2 HIS 3 8.004 -7.561 -40.930 23 H HIS 4 H HIS 4 10.249 -7.384 -34.034 24 HA HIS 4 HA HIS 4 9.680 -9.701 -32.295 25 HB2 HIS 4 1HB HIS 4 11.617 -7.431 -31.591 26 HB3 HIS 4 2HB HIS 4 11.053 -8.659 -30.462 27 HD1 HIS 4 HD1 HIS 4 13.614 -8.003 -33.025 28 HD2 HIS 4 HD2 HIS 4 12.072 -11.318 -31.038 29 HE1 HIS 4 HE1 HIS 4 15.276 -9.852 -33.397 30 HE2 HIS 4 HE2 HIS 4 14.328 -11.849 -32.196 31 H HIS 5 H HIS 5 10.095 -6.163 -32.010 32 HA HIS 5 HA HIS 5 8.832 -4.461 -31.277 33 HB2 HIS 5 1HB HIS 5 7.872 -4.901 -33.544 34 HB3 HIS 5 2HB HIS 5 6.655 -5.947 -32.819 35 HD1 HIS 5 HD1 HIS 5 7.673 -2.294 -32.983 36 HD2 HIS 5 HD2 HIS 5 4.392 -4.624 -31.939 37 HE1 HIS 5 HE1 HIS 5 5.785 -0.675 -32.608 38 HE2 HIS 5 HE2 HIS 5 3.848 -2.103 -31.875 39 H HIS 6 H HIS 6 9.270 -5.875 -29.183 40 HA HIS 6 HA HIS 6 6.850 -5.760 -27.543 41 HB2 HIS 6 1HB HIS 6 8.465 -8.312 -27.931 42 HB3 HIS 6 2HB HIS 6 7.519 -8.039 -26.477 43 HD1 HIS 6 HD1 HIS 6 7.242 -9.482 -29.774 44 HD2 HIS 6 HD2 HIS 6 4.643 -7.611 -27.129 45 HE1 HIS 6 HE1 HIS 6 4.934 -10.191 -30.475 46 HE2 HIS 6 HE2 HIS 6 3.385 -9.066 -28.854 47 H HIS 7 H HIS 7 7.345 -4.794 -25.675 48 HA HIS 7 HA HIS 7 9.985 -5.190 -24.419 49 HB2 HIS 7 1HB HIS 7 8.523 -2.525 -24.720 50 HB3 HIS 7 2HB HIS 7 9.845 -2.782 -23.582 51 HD1 HIS 7 HD1 HIS 7 9.198 -1.812 -27.018 52 HD2 HIS 7 HD2 HIS 7 12.352 -3.526 -24.922 53 HE1 HIS 7 HE1 HIS 7 11.203 -1.581 -28.509 54 HE2 HIS 7 HE2 HIS 7 13.130 -2.364 -27.098 55 H HIS 8 H HIS 8 9.942 -5.225 -22.162 56 HA HIS 8 HA HIS 8 7.703 -6.527 -21.040 57 HB2 HIS 8 1HB HIS 8 10.168 -5.367 -19.675 58 HB3 HIS 8 2HB HIS 8 9.000 -6.419 -18.886 59 HD1 HIS 8 HD1 HIS 8 12.052 -6.491 -20.902 60 HD2 HIS 8 HD2 HIS 8 8.959 -9.120 -20.013 61 HE1 HIS 8 HE1 HIS 8 12.930 -8.774 -21.464 62 HE2 HIS 8 HE2 HIS 8 11.116 -10.355 -20.727 63 H SER 9 H SER 9 5.935 -5.128 -21.290 64 HA SER 9 HA SER 9 5.742 -2.600 -19.921 65 HB2 SER 9 1HB SER 9 3.296 -2.792 -20.632 66 HB3 SER 9 2HB SER 9 4.453 -2.852 -21.960 67 HG SER 9 HG SER 9 3.008 -4.984 -20.786 68 H HIS 10 H HIS 10 5.948 -2.783 -17.778 69 HA HIS 10 HA HIS 10 4.904 -5.032 -16.266 70 HB2 HIS 10 1HB HIS 10 6.067 -3.931 -14.312 71 HB3 HIS 10 2HB HIS 10 7.115 -4.333 -15.662 72 HD1 HIS 10 HD1 HIS 10 5.677 -1.419 -13.801 73 HD2 HIS 10 HD2 HIS 10 8.364 -2.159 -16.890 74 HE1 HIS 10 HE1 HIS 10 6.864 0.765 -14.204 75 HE2 HIS 10 HE2 HIS 10 8.353 0.334 -16.190 76 H MET 11 H MET 11 2.708 -4.416 -16.977 77 HA MET 11 HA MET 11 1.392 -2.336 -15.370 78 HB2 MET 11 1HB MET 11 0.658 -2.430 -17.660 79 HB3 MET 11 2HB MET 11 0.425 -4.174 -17.601 80 HG2 MET 11 1HG MET 11 -1.694 -2.835 -17.564 81 HG3 MET 11 2HG MET 11 -1.516 -3.944 -16.202 82 HE1 MET 11 3HE MET 11 -3.278 -2.833 -14.678 83 HE2 MET 11 1HE MET 11 -3.711 -1.740 -15.990 84 HE3 MET 11 2HE MET 11 -3.389 -1.101 -14.380 85 H SER 12 H SER 12 0.298 -2.768 -13.537 86 HA SER 12 HA SER 12 -0.958 -5.181 -12.771 87 HB2 SER 12 1HB SER 12 1.462 -5.956 -12.642 88 HB3 SER 12 2HB SER 12 1.749 -4.724 -11.414 89 HG SER 12 HG SER 12 -0.209 -6.772 -11.184 90 H TRP 13 H TRP 13 -0.049 -4.595 -9.840 91 HA TRP 13 HA TRP 13 -1.936 -2.522 -9.181 92 HB2 TRP 13 1HB TRP 13 -0.798 -2.810 -6.814 93 HB3 TRP 13 2HB TRP 13 -1.787 -4.112 -7.455 94 HD1 TRP 13 HD1 TRP 13 -0.686 -6.436 -7.699 95 HE1 TRP 13 HE1 TRP 13 1.649 -7.396 -7.286 96 HE3 TRP 13 HE3 TRP 13 1.906 -2.080 -6.931 97 HZ2 TRP 13 HZ2 TRP 13 4.246 -6.476 -6.737 98 HZ3 TRP 13 HZ3 TRP 13 4.321 -2.217 -6.464 99 HH2 TRP 13 HH2 TRP 13 5.469 -4.371 -6.367 100 H TYR 14 H TYR 14 1.316 -2.598 -10.167 101 HA TYR 14 HA TYR 14 2.102 -0.069 -8.939 102 HB2 TYR 14 1HB TYR 14 3.809 -1.846 -9.143 103 HB3 TYR 14 2HB TYR 14 3.668 -1.791 -10.901 104 HD1 TYR 14 HD1 TYR 14 4.481 0.386 -7.932 105 HD2 TYR 14 HD2 TYR 14 5.058 -0.257 -12.130 106 HE1 TYR 14 HE1 TYR 14 6.136 2.210 -7.992 107 HE2 TYR 14 HE2 TYR 14 6.712 1.558 -12.178 108 HH TYR 14 HH TYR 14 8.012 2.976 -9.362 109 H HIS 15 H HIS 15 1.928 1.820 -9.885 110 HA HIS 15 HA HIS 15 1.486 2.108 -12.797 111 HB2 HIS 15 1HB HIS 15 0.014 3.582 -10.538 112 HB3 HIS 15 2HB HIS 15 -0.166 3.955 -12.252 113 HD1 HIS 15 HD1 HIS 15 -1.564 2.331 -13.683 114 HD2 HIS 15 HD2 HIS 15 -1.289 1.223 -9.690 115 HE1 HIS 15 HE1 HIS 15 -3.171 0.423 -13.392 116 HE2 HIS 15 HE2 HIS 15 -2.917 -0.298 -10.999 117 H ARG 16 H ARG 16 2.549 3.962 -13.680 118 HA ARG 16 HA ARG 16 5.041 4.415 -12.384 119 HB2 ARG 16 1HB ARG 16 3.898 5.636 -14.922 120 HB3 ARG 16 2HB ARG 16 5.556 5.882 -14.369 121 HG2 ARG 16 1HG ARG 16 5.929 3.411 -14.506 122 HG3 ARG 16 2HG ARG 16 4.293 3.225 -15.148 123 HD2 ARG 16 1HD ARG 16 6.570 4.769 -16.446 124 HD3 ARG 16 2HD ARG 16 5.959 3.191 -16.945 125 HE ARG 16 HE ARG 16 3.802 4.346 -17.451 126 HH11 ARG 16 1HH1 ARG 16 6.762 6.238 -17.465 127 HH12 ARG 16 2HH1 ARG 16 6.156 7.407 -18.592 128 HH21 ARG 16 1HH2 ARG 16 3.014 5.895 -18.907 129 HH22 ARG 16 2HH2 ARG 16 4.018 7.216 -19.408 130 H ASP 17 H ASP 17 2.436 6.790 -13.230 131 HA ASP 17 HA ASP 17 2.867 8.149 -10.714 132 HB2 ASP 17 1HB ASP 17 4.632 9.238 -12.047 133 HB3 ASP 17 2HB ASP 17 3.451 9.703 -13.264 134 H LEU 18 H LEU 18 0.735 7.032 -10.956 135 HA LEU 18 HA LEU 18 -1.318 9.036 -11.603 136 HB2 LEU 18 1HB LEU 18 -1.738 6.544 -11.881 137 HB3 LEU 18 2HB LEU 18 -1.692 6.399 -10.134 138 HG LEU 18 HG LEU 18 -3.660 8.320 -11.395 139 HD11 LEU 18 1HD1 LEU 18 -4.025 6.225 -12.612 140 HD12 LEU 18 2HD1 LEU 18 -5.379 6.612 -11.546 141 HD13 LEU 18 3HD1 LEU 18 -4.211 5.370 -11.073 142 HD21 LEU 18 3HD2 LEU 18 -3.429 8.372 -8.985 143 HD22 LEU 18 1HD2 LEU 18 -3.794 6.650 -8.892 144 HD23 LEU 18 2HD2 LEU 18 -5.025 7.795 -9.442 145 H SER 19 H SER 19 -2.231 10.376 -10.029 146 HA SER 19 HA SER 19 -0.504 11.133 -7.886 147 HB2 SER 19 1HB SER 19 -1.812 12.803 -9.157 148 HB3 SER 19 2HB SER 19 -3.321 12.080 -8.597 149 HG SER 19 HG SER 19 -2.890 13.810 -7.279 150 H ARG 20 H ARG 20 -0.938 11.037 -5.593 151 HA ARG 20 HA ARG 20 -2.061 8.603 -4.732 152 HB2 ARG 20 1HB ARG 20 -1.252 11.014 -3.063 153 HB3 ARG 20 2HB ARG 20 -1.592 9.409 -2.433 154 HG2 ARG 20 1HG ARG 20 0.661 9.173 -2.522 155 HG3 ARG 20 2HG ARG 20 0.370 8.772 -4.210 156 HD2 ARG 20 1HD ARG 20 0.961 11.617 -3.325 157 HD3 ARG 20 2HD ARG 20 2.256 10.469 -3.645 158 HE ARG 20 HE ARG 20 0.534 11.794 -5.588 159 HH11 ARG 20 1HH1 ARG 20 2.873 9.220 -5.074 160 HH12 ARG 20 2HH1 ARG 20 3.375 9.173 -6.730 161 HH21 ARG 20 1HH2 ARG 20 1.236 11.742 -7.776 162 HH22 ARG 20 2HH2 ARG 20 2.452 10.600 -8.270 163 H ALA 21 H ALA 21 -3.181 11.968 -4.409 164 HA ALA 21 HA ALA 21 -5.637 11.611 -3.173 165 HB1 ALA 21 3HB ALA 21 -6.297 13.730 -4.254 166 HB2 ALA 21 1HB ALA 21 -4.952 13.583 -5.381 167 HB3 ALA 21 2HB ALA 21 -4.640 13.804 -3.659 168 H ALA 22 H ALA 22 -4.956 11.531 -6.669 169 HA ALA 22 HA ALA 22 -7.542 10.835 -7.577 170 HB1 ALA 22 3HB ALA 22 -4.857 10.353 -8.919 171 HB2 ALA 22 1HB ALA 22 -5.838 11.820 -9.052 172 HB3 ALA 22 2HB ALA 22 -6.434 10.300 -9.716 173 H ALA 23 H ALA 23 -4.898 8.928 -6.349 174 HA ALA 23 HA ALA 23 -5.639 6.354 -7.314 175 HB1 ALA 23 3HB ALA 23 -3.972 5.500 -5.714 176 HB2 ALA 23 1HB ALA 23 -3.885 7.084 -4.939 177 HB3 ALA 23 2HB ALA 23 -3.343 6.885 -6.605 178 H GLU 24 H GLU 24 -6.070 7.919 -4.095 179 HA GLU 24 HA GLU 24 -7.550 5.993 -2.767 180 HB2 GLU 24 1HB GLU 24 -7.889 9.021 -2.612 181 HB3 GLU 24 2HB GLU 24 -8.409 7.869 -1.380 182 HG2 GLU 24 1HG GLU 24 -6.079 7.249 -0.945 183 HG3 GLU 24 2HG GLU 24 -5.533 8.326 -2.228 184 H GLU 25 H GLU 25 -8.653 8.555 -4.890 185 HA GLU 25 HA GLU 25 -11.466 7.993 -4.806 186 HB2 GLU 25 1HB GLU 25 -9.894 9.427 -6.984 187 HB3 GLU 25 2HB GLU 25 -11.649 9.467 -6.785 188 HG2 GLU 25 1HG GLU 25 -11.367 10.603 -4.612 189 HG3 GLU 25 2HG GLU 25 -9.613 10.568 -4.813 190 H LEU 26 H LEU 26 -8.852 7.024 -6.960 191 HA LEU 26 HA LEU 26 -10.240 5.625 -8.934 192 HB2 LEU 26 1HB LEU 26 -7.788 6.361 -8.891 193 HB3 LEU 26 2HB LEU 26 -7.454 4.979 -7.877 194 HG LEU 26 HG LEU 26 -6.790 4.751 -10.300 195 HD11 LEU 26 1HD1 LEU 26 -8.760 2.662 -9.365 196 HD12 LEU 26 2HD1 LEU 26 -7.055 2.766 -8.920 197 HD13 LEU 26 3HD1 LEU 26 -7.505 2.457 -10.594 198 HD21 LEU 26 3HD2 LEU 26 -8.688 5.923 -11.295 199 HD22 LEU 26 1HD2 LEU 26 -9.771 4.610 -10.819 200 HD23 LEU 26 2HD2 LEU 26 -8.479 4.320 -11.989 201 H LEU 27 H LEU 27 -8.967 4.567 -5.799 202 HA LEU 27 HA LEU 27 -9.603 1.811 -5.998 203 HB2 LEU 27 1HB LEU 27 -9.179 3.575 -3.560 204 HB3 LEU 27 2HB LEU 27 -9.387 1.828 -3.473 205 HG LEU 27 HG LEU 27 -7.107 3.254 -4.889 206 HD11 LEU 27 1HD1 LEU 27 -6.925 3.463 -2.472 207 HD12 LEU 27 2HD1 LEU 27 -5.686 2.376 -3.097 208 HD13 LEU 27 3HD1 LEU 27 -7.110 1.717 -2.283 209 HD21 LEU 27 3HD2 LEU 27 -7.556 0.281 -4.485 210 HD22 LEU 27 1HD2 LEU 27 -6.106 1.022 -5.162 211 HD23 LEU 27 2HD2 LEU 27 -7.636 1.148 -6.017 212 H ALA 28 H ALA 28 -11.310 4.607 -4.647 213 HA ALA 28 HA ALA 28 -13.498 3.352 -3.438 214 HB1 ALA 28 3HB ALA 28 -14.613 5.542 -3.541 215 HB2 ALA 28 1HB ALA 28 -13.423 6.093 -4.727 216 HB3 ALA 28 2HB ALA 28 -12.917 5.715 -3.083 217 H ARG 29 H ARG 29 -13.000 4.265 -6.794 218 HA ARG 29 HA ARG 29 -15.704 3.559 -7.601 219 HB2 ARG 29 1HB ARG 29 -14.465 5.506 -8.583 220 HB3 ARG 29 2HB ARG 29 -13.345 4.371 -9.331 221 HG2 ARG 29 1HG ARG 29 -15.307 3.371 -10.569 222 HG3 ARG 29 2HG ARG 29 -16.316 4.654 -9.892 223 HD2 ARG 29 1HD ARG 29 -15.618 5.226 -12.167 224 HD3 ARG 29 2HD ARG 29 -14.905 6.348 -11.006 225 HE ARG 29 HE ARG 29 -13.316 4.042 -11.919 226 HH11 ARG 29 1HH1 ARG 29 -13.723 7.528 -11.909 227 HH12 ARG 29 2HH1 ARG 29 -12.187 7.815 -12.649 228 HH21 ARG 29 1HH2 ARG 29 -11.326 4.439 -12.858 229 HH22 ARG 29 2HH2 ARG 29 -10.826 6.064 -13.198 230 H ALA 30 H ALA 30 -12.419 2.217 -7.903 231 HA ALA 30 HA ALA 30 -13.194 0.362 -9.988 232 HB1 ALA 30 3HB ALA 30 -10.999 1.467 -10.037 233 HB2 ALA 30 1HB ALA 30 -10.842 -0.292 -10.039 234 HB3 ALA 30 2HB ALA 30 -10.536 0.621 -8.559 235 H GLY 31 H GLY 31 -11.642 -0.199 -6.739 236 HA2 GLY 31 1HA GLY 31 -12.612 -2.982 -6.755 237 HA3 GLY 31 2HA GLY 31 -11.434 -2.273 -5.664 238 H ARG 32 H ARG 32 -12.960 -0.002 -5.041 239 HA ARG 32 HA ARG 32 -14.401 0.952 -3.683 240 HB2 ARG 32 1HB ARG 32 -16.028 -0.053 -5.327 241 HB3 ARG 32 2HB ARG 32 -16.263 -1.384 -4.203 242 HG2 ARG 32 1HG ARG 32 -17.141 0.201 -2.518 243 HG3 ARG 32 2HG ARG 32 -16.902 1.535 -3.640 244 HD2 ARG 32 1HD ARG 32 -18.590 0.624 -5.144 245 HD3 ARG 32 2HD ARG 32 -18.729 -0.825 -4.152 246 HE ARG 32 HE ARG 32 -19.795 0.434 -2.460 247 HH11 ARG 32 1HH1 ARG 32 -19.288 2.356 -5.370 248 HH12 ARG 32 2HH1 ARG 32 -20.545 3.485 -4.981 249 HH21 ARG 32 1HH2 ARG 32 -21.414 1.898 -1.955 250 HH22 ARG 32 2HH2 ARG 32 -21.758 3.221 -3.022 251 H ASP 33 H ASP 33 -12.698 -1.635 -2.624 252 HA ASP 33 HA ASP 33 -12.990 -1.353 0.063 253 HB2 ASP 33 1HB ASP 33 -15.350 -2.230 -0.182 254 HB3 ASP 33 2HB ASP 33 -14.702 -3.739 -0.817 255 H GLY 34 H GLY 34 -11.086 -2.190 0.777 256 HA2 GLY 34 1HA GLY 34 -9.393 -3.717 1.187 257 HA3 GLY 34 2HA GLY 34 -10.262 -4.917 0.238 258 H SER 35 H SER 35 -9.849 -1.979 -1.395 259 HA SER 35 HA SER 35 -8.266 -3.302 -3.436 260 HB2 SER 35 1HB SER 35 -8.770 -0.952 -4.550 261 HB3 SER 35 2HB SER 35 -10.093 -2.087 -4.336 262 HG SER 35 HG SER 35 -9.439 0.171 -2.766 263 H PHE 36 H PHE 36 -6.127 -2.756 -3.946 264 HA PHE 36 HA PHE 36 -4.844 -0.509 -2.563 265 HB2 PHE 36 1HB PHE 36 -2.994 -1.789 -1.763 266 HB3 PHE 36 2HB PHE 36 -4.429 -2.668 -1.265 267 HD1 PHE 36 HD2 PHE 36 -5.036 -4.824 -2.439 268 HD2 PHE 36 HD1 PHE 36 -1.351 -2.797 -3.249 269 HE1 PHE 36 HE2 PHE 36 -4.101 -6.878 -3.414 270 HE2 PHE 36 HE1 PHE 36 -0.437 -4.862 -4.229 271 HZ PHE 36 HZ PHE 36 -1.809 -6.898 -4.303 272 H LEU 37 H LEU 37 -2.901 0.194 -3.517 273 HA LEU 37 HA LEU 37 -1.890 -0.972 -5.963 274 HB2 LEU 37 1HB LEU 37 -2.081 1.344 -7.138 275 HB3 LEU 37 2HB LEU 37 -3.510 0.333 -7.060 276 HG LEU 37 HG LEU 37 -4.302 1.721 -5.079 277 HD11 LEU 37 1HD1 LEU 37 -3.354 3.998 -4.831 278 HD12 LEU 37 2HD1 LEU 37 -1.992 3.507 -5.849 279 HD13 LEU 37 3HD1 LEU 37 -2.273 2.711 -4.300 280 HD21 LEU 37 3HD2 LEU 37 -5.116 3.592 -6.442 281 HD22 LEU 37 1HD2 LEU 37 -5.237 2.059 -7.313 282 HD23 LEU 37 2HD2 LEU 37 -3.947 3.199 -7.703 283 H VAL 38 H VAL 38 0.086 0.223 -6.689 284 HA VAL 38 HA VAL 38 1.405 1.855 -4.629 285 HB VAL 38 HB VAL 38 2.746 -0.453 -6.127 286 HG11 VAL 38 1HG1 VAL 38 4.818 0.150 -4.874 287 HG12 VAL 38 2HG1 VAL 38 3.997 1.580 -4.242 288 HG13 VAL 38 3HG1 VAL 38 4.306 1.436 -5.973 289 HG21 VAL 38 3HG2 VAL 38 3.164 -1.426 -3.885 290 HG22 VAL 38 1HG2 VAL 38 1.431 -1.237 -4.187 291 HG23 VAL 38 2HG2 VAL 38 2.277 -0.092 -3.144 292 H ARG 39 H ARG 39 2.153 3.721 -5.557 293 HA ARG 39 HA ARG 39 2.927 3.646 -8.412 294 HB2 ARG 39 1HB ARG 39 2.479 6.196 -8.452 295 HB3 ARG 39 2HB ARG 39 1.094 5.128 -8.546 296 HG2 ARG 39 1HG ARG 39 1.907 6.211 -5.858 297 HG3 ARG 39 2HG ARG 39 1.061 7.271 -6.989 298 HD2 ARG 39 1HD ARG 39 0.054 4.600 -5.923 299 HD3 ARG 39 2HD ARG 39 -0.530 6.195 -5.459 300 HE ARG 39 HE ARG 39 -1.573 6.429 -7.565 301 HH11 ARG 39 1HH1 ARG 39 -0.041 3.268 -7.371 302 HH12 ARG 39 2HH1 ARG 39 -1.138 2.528 -8.483 303 HH21 ARG 39 1HH2 ARG 39 -3.011 5.415 -9.028 304 HH22 ARG 39 2HH2 ARG 39 -2.822 3.744 -9.417 305 H ASP 40 H ASP 40 4.382 5.680 -8.832 306 HA ASP 40 HA ASP 40 6.577 5.648 -6.861 307 HB2 ASP 40 1HB ASP 40 7.273 5.307 -9.200 308 HB3 ASP 40 2HB ASP 40 6.463 6.793 -9.691 309 H SER 41 H SER 41 7.142 7.460 -5.750 310 HA SER 41 HA SER 41 5.189 9.463 -5.217 311 HB2 SER 41 1HB SER 41 8.067 9.170 -4.265 312 HB3 SER 41 2HB SER 41 6.856 10.246 -3.550 313 HG SER 41 HG SER 41 6.698 7.407 -3.717 314 H GLU 42 H GLU 42 5.736 11.810 -5.157 315 HA GLU 42 HA GLU 42 7.079 12.637 -7.667 316 HB2 GLU 42 1HB GLU 42 5.503 14.751 -7.296 317 HB3 GLU 42 2HB GLU 42 4.905 13.300 -8.074 318 HG2 GLU 42 1HG GLU 42 3.258 14.180 -6.509 319 HG3 GLU 42 2HG GLU 42 3.821 12.590 -5.989 320 H SER 43 H SER 43 6.826 13.197 -4.233 321 HA SER 43 HA SER 43 8.703 15.440 -4.227 322 HB2 SER 43 1HB SER 43 8.321 15.304 -1.714 323 HB3 SER 43 2HB SER 43 6.855 15.568 -2.657 324 HG SER 43 HG SER 43 6.119 13.687 -2.068 325 H VAL 44 H VAL 44 8.553 12.189 -2.740 326 HA VAL 44 HA VAL 44 11.397 12.259 -2.089 327 HB VAL 44 HB VAL 44 9.449 9.964 -1.592 328 HG11 VAL 44 1HG1 VAL 44 11.039 9.380 0.249 329 HG12 VAL 44 2HG1 VAL 44 12.073 10.728 -0.228 330 HG13 VAL 44 3HG1 VAL 44 11.840 9.366 -1.324 331 HG21 VAL 44 3HG2 VAL 44 9.061 10.914 0.662 332 HG22 VAL 44 1HG2 VAL 44 8.506 12.023 -0.597 333 HG23 VAL 44 2HG2 VAL 44 10.030 12.328 0.242 334 H ALA 45 H ALA 45 12.707 11.841 -3.704 335 HA ALA 45 HA ALA 45 12.061 10.562 -6.139 336 HB1 ALA 45 3HB ALA 45 14.452 10.820 -6.670 337 HB2 ALA 45 1HB ALA 45 14.793 11.202 -4.979 338 HB3 ALA 45 2HB ALA 45 13.798 12.290 -5.948 339 H GLY 46 H GLY 46 11.757 8.412 -6.451 340 HA2 GLY 46 1HA GLY 46 12.544 6.225 -6.772 341 HA3 GLY 46 2HA GLY 46 13.754 6.467 -5.523 342 H ALA 47 H ALA 47 10.895 7.621 -4.237 343 HA ALA 47 HA ALA 47 10.533 5.221 -2.625 344 HB1 ALA 47 3HB ALA 47 9.283 7.972 -2.396 345 HB2 ALA 47 1HB ALA 47 10.727 7.418 -1.549 346 HB3 ALA 47 2HB ALA 47 9.164 6.677 -1.198 347 H PHE 48 H PHE 48 8.534 4.249 -2.231 348 HA PHE 48 HA PHE 48 6.629 4.344 -4.493 349 HB2 PHE 48 1HB PHE 48 7.271 2.057 -2.576 350 HB3 PHE 48 2HB PHE 48 6.194 1.972 -3.966 351 HD1 PHE 48 HD1 PHE 48 7.142 2.161 -6.303 352 HD2 PHE 48 HD2 PHE 48 9.684 1.864 -2.865 353 HE1 PHE 48 HE1 PHE 48 9.039 1.548 -7.751 354 HE2 PHE 48 HE2 PHE 48 11.571 1.251 -4.323 355 HZ PHE 48 HZ PHE 48 11.253 1.085 -6.764 356 H ALA 49 H ALA 49 4.541 4.806 -4.111 357 HA ALA 49 HA ALA 49 3.603 5.304 -1.366 358 HB1 ALA 49 3HB ALA 49 2.500 6.242 -4.041 359 HB2 ALA 49 1HB ALA 49 3.504 7.193 -2.943 360 HB3 ALA 49 2HB ALA 49 1.882 6.706 -2.453 361 H LEU 50 H LEU 50 2.318 3.729 -0.475 362 HA LEU 50 HA LEU 50 0.845 1.830 -2.227 363 HB2 LEU 50 1HB LEU 50 2.485 0.618 -0.941 364 HB3 LEU 50 2HB LEU 50 2.085 1.490 0.527 365 HG LEU 50 HG LEU 50 -0.139 0.316 0.590 366 HD11 LEU 50 1HD1 LEU 50 -0.555 -1.653 -0.793 367 HD12 LEU 50 2HD1 LEU 50 0.922 -1.348 -1.713 368 HD13 LEU 50 3HD1 LEU 50 -0.420 -0.202 -1.784 369 HD21 LEU 50 3HD2 LEU 50 1.735 -0.535 1.917 370 HD22 LEU 50 1HD2 LEU 50 2.262 -1.547 0.565 371 HD23 LEU 50 2HD2 LEU 50 0.711 -1.851 1.354 372 H CYS 51 H CYS 51 -1.248 2.464 -2.322 373 HA CYS 51 HA CYS 51 -2.511 3.686 0.066 374 HB2 CYS 51 1HB CYS 51 -2.360 5.270 -1.805 375 HB3 CYS 51 2HB CYS 51 -3.127 4.118 -2.889 376 HG CYS 51 HG CYS 51 -4.478 6.220 -0.686 377 H VAL 52 H VAL 52 -4.127 2.527 0.950 378 HA VAL 52 HA VAL 52 -5.366 0.288 -0.517 379 HB VAL 52 HB VAL 52 -4.551 0.074 2.421 380 HG11 VAL 52 1HG1 VAL 52 -4.988 -2.358 2.111 381 HG12 VAL 52 2HG1 VAL 52 -5.470 -2.056 0.440 382 HG13 VAL 52 3HG1 VAL 52 -6.426 -1.389 1.766 383 HG21 VAL 52 3HG2 VAL 52 -3.020 -1.070 0.045 384 HG22 VAL 52 1HG2 VAL 52 -2.691 -1.418 1.745 385 HG23 VAL 52 2HG2 VAL 52 -2.471 0.215 1.120 386 H LEU 53 H LEU 53 -7.481 0.681 -0.571 387 HA LEU 53 HA LEU 53 -8.914 2.217 1.437 388 HB2 LEU 53 1HB LEU 53 -9.516 2.624 -0.884 389 HB3 LEU 53 2HB LEU 53 -9.697 0.913 -1.184 390 HG LEU 53 HG LEU 53 -11.735 0.837 0.205 391 HD11 LEU 53 1HD1 LEU 53 -12.818 2.825 1.092 392 HD12 LEU 53 2HD1 LEU 53 -11.473 3.832 0.563 393 HD13 LEU 53 3HD1 LEU 53 -11.224 2.623 1.820 394 HD21 LEU 53 3HD2 LEU 53 -11.963 1.272 -2.187 395 HD22 LEU 53 1HD2 LEU 53 -11.849 3.010 -1.903 396 HD23 LEU 53 2HD2 LEU 53 -13.226 2.096 -1.275 397 H TYR 54 H TYR 54 -10.299 1.303 2.946 398 HA TYR 54 HA TYR 54 -11.600 -1.211 2.486 399 HB2 TYR 54 1HB TYR 54 -9.429 -1.996 3.475 400 HB3 TYR 54 2HB TYR 54 -9.751 -1.032 4.915 401 HD1 TYR 54 HD2 TYR 54 -11.211 -3.796 2.831 402 HD2 TYR 54 HD1 TYR 54 -10.970 -2.027 6.724 403 HE1 TYR 54 HE2 TYR 54 -12.472 -5.682 3.771 404 HE2 TYR 54 HE1 TYR 54 -12.234 -3.916 7.656 405 HH TYR 54 HH TYR 54 -12.812 -6.789 5.911 406 H GLN 55 H GLN 55 -13.584 -0.983 3.213 407 HA GLN 55 HA GLN 55 -15.481 -0.200 4.176 408 HB2 GLN 55 1HB GLN 55 -14.466 -1.799 5.851 409 HB3 GLN 55 2HB GLN 55 -13.837 -0.413 6.729 410 HG2 GLN 55 1HG GLN 55 -16.139 0.382 7.137 411 HG3 GLN 55 2HG GLN 55 -16.768 -0.992 6.229 412 HE21 GLN 55 2HE2 GLN 55 -15.280 0.041 9.212 413 HE22 GLN 55 1HE2 GLN 55 -15.555 -1.419 10.091 414 H LYS 56 H LYS 56 -14.868 1.936 3.022 415 HA LYS 56 HA LYS 56 -14.828 4.165 2.870 416 HB2 LYS 56 1HB LYS 56 -17.011 3.678 4.127 417 HB3 LYS 56 2HB LYS 56 -16.185 4.173 5.594 418 HG2 LYS 56 1HG LYS 56 -17.545 6.004 4.778 419 HG3 LYS 56 2HG LYS 56 -15.844 6.436 4.625 420 HD2 LYS 56 1HD LYS 56 -16.886 7.202 2.625 421 HD3 LYS 56 2HD LYS 56 -16.012 5.745 2.162 422 HE2 LYS 56 1HE LYS 56 -18.990 5.791 2.792 423 HE3 LYS 56 2HE LYS 56 -18.339 5.997 1.171 424 HZ1 LYS 56 3HZ LYS 56 -18.057 3.604 2.890 425 HZ2 LYS 56 1HZ LYS 56 -17.342 3.785 1.367 426 HZ3 LYS 56 2HZ LYS 56 -19.025 3.757 1.516 427 H HIS 57 H HIS 57 -12.481 2.977 4.014 428 HA HIS 57 HA HIS 57 -11.272 5.382 5.168 429 HB2 HIS 57 1HB HIS 57 -11.816 3.883 7.128 430 HB3 HIS 57 2HB HIS 57 -10.747 2.664 6.446 431 HD1 HIS 57 HD1 HIS 57 -10.694 6.096 7.999 432 HD2 HIS 57 HD2 HIS 57 -8.007 3.113 6.901 433 HE1 HIS 57 HE1 HIS 57 -8.467 6.824 8.911 434 HE2 HIS 57 HE2 HIS 57 -6.927 4.893 8.443 435 H VAL 58 H VAL 58 -9.955 5.843 3.484 436 HA VAL 58 HA VAL 58 -8.228 3.751 2.349 437 HB VAL 58 HB VAL 58 -7.987 6.685 1.576 438 HG11 VAL 58 1HG1 VAL 58 -7.292 5.706 -0.597 439 HG12 VAL 58 2HG1 VAL 58 -7.579 4.086 0.039 440 HG13 VAL 58 3HG1 VAL 58 -6.307 5.093 0.732 441 HG21 VAL 58 3HG2 VAL 58 -10.407 6.187 1.421 442 HG22 VAL 58 1HG2 VAL 58 -10.052 4.800 0.389 443 HG23 VAL 58 2HG2 VAL 58 -9.687 6.434 -0.170 444 H HIS 59 H HIS 59 -6.265 3.385 3.304 445 HA HIS 59 HA HIS 59 -4.923 5.593 4.765 446 HB2 HIS 59 1HB HIS 59 -5.628 3.427 6.036 447 HB3 HIS 59 2HB HIS 59 -4.351 2.621 5.147 448 HD1 HIS 59 HD1 HIS 59 -1.959 4.320 5.400 449 HD2 HIS 59 HD2 HIS 59 -4.699 3.986 8.502 450 HE1 HIS 59 HE1 HIS 59 -0.747 5.095 7.445 451 HE2 HIS 59 HE2 HIS 59 -2.395 4.827 9.326 452 H THR 60 H THR 60 -2.775 6.037 4.234 453 HA THR 60 HA THR 60 -1.648 4.702 1.840 454 HB THR 60 HB THR 60 -0.347 6.928 1.570 455 HG1 THR 60 HG1 THR 60 -2.431 7.930 3.237 456 HG21 THR 60 3HG2 THR 60 -3.365 7.078 1.252 457 HG22 THR 60 1HG2 THR 60 -2.244 6.370 0.080 458 HG23 THR 60 2HG2 THR 60 -2.187 8.100 0.426 459 H TYR 61 H TYR 61 0.418 3.955 2.015 460 HA TYR 61 HA TYR 61 1.977 4.316 4.477 461 HB2 TYR 61 1HB TYR 61 1.953 1.643 2.998 462 HB3 TYR 61 2HB TYR 61 2.471 1.985 4.637 463 HD1 TYR 61 HD2 TYR 61 -0.525 1.611 2.472 464 HD2 TYR 61 HD1 TYR 61 0.941 1.755 6.481 465 HE1 TYR 61 HE2 TYR 61 -2.706 0.850 3.287 466 HE2 TYR 61 HE1 TYR 61 -1.250 0.990 7.300 467 HH TYR 61 HH TYR 61 -3.712 -0.159 5.146 468 H ARG 62 H ARG 62 3.530 5.598 3.623 469 HA ARG 62 HA ARG 62 4.454 5.344 0.884 470 HB2 ARG 62 1HB ARG 62 5.361 7.250 3.083 471 HB3 ARG 62 2HB ARG 62 5.704 7.392 1.357 472 HG2 ARG 62 1HG ARG 62 3.213 7.601 0.971 473 HG3 ARG 62 2HG ARG 62 3.007 7.676 2.726 474 HD2 ARG 62 1HD ARG 62 4.609 9.614 1.022 475 HD3 ARG 62 2HD ARG 62 3.011 9.915 1.704 476 HE ARG 62 HE ARG 62 4.953 9.273 3.714 477 HH11 ARG 62 1HH1 ARG 62 3.753 11.920 1.729 478 HH12 ARG 62 2HH1 ARG 62 4.312 13.145 2.821 479 HH21 ARG 62 1HH2 ARG 62 5.652 10.855 5.126 480 HH22 ARG 62 2HH2 ARG 62 5.391 12.527 4.773 481 H ILE 63 H ILE 63 5.622 3.357 0.837 482 HA ILE 63 HA ILE 63 7.877 2.814 2.344 483 HB ILE 63 HB ILE 63 7.286 2.078 -0.572 484 HG12 ILE 63 1HG1 ILE 63 6.846 -0.250 0.556 485 HG13 ILE 63 2HG1 ILE 63 6.681 0.661 2.047 486 HG21 ILE 63 1HG2 ILE 63 8.970 0.273 -0.321 487 HG22 ILE 63 2HG2 ILE 63 9.402 0.907 1.269 488 HG23 ILE 63 3HG2 ILE 63 9.682 1.882 -0.173 489 HD11 ILE 63 3HD1 ILE 63 4.800 1.856 1.132 490 HD12 ILE 63 1HD1 ILE 63 4.555 0.119 0.990 491 HD13 ILE 63 2HD1 ILE 63 5.017 1.059 -0.430 492 H LEU 64 H LEU 64 9.823 3.779 2.413 493 HA LEU 64 HA LEU 64 10.994 4.871 -0.026 494 HB2 LEU 64 1HB LEU 64 11.987 6.820 1.211 495 HB3 LEU 64 2HB LEU 64 10.266 6.902 0.965 496 HG LEU 64 HG LEU 64 10.790 7.870 3.090 497 HD11 LEU 64 1HD1 LEU 64 9.411 6.640 4.654 498 HD12 LEU 64 2HD1 LEU 64 9.489 5.209 3.618 499 HD13 LEU 64 3HD1 LEU 64 8.701 6.676 3.036 500 HD21 LEU 64 3HD2 LEU 64 11.865 6.742 4.942 501 HD22 LEU 64 1HD2 LEU 64 12.934 6.841 3.545 502 HD23 LEU 64 2HD2 LEU 64 12.145 5.312 3.945 503 HA PRO 65 HA PRO 65 14.544 2.629 1.679 504 HB2 PRO 65 1HB PRO 65 16.316 3.055 -0.316 505 HB3 PRO 65 2HB PRO 65 14.941 1.962 -0.514 506 HG2 PRO 65 1HG PRO 65 15.291 4.764 -1.544 507 HG3 PRO 65 2HG PRO 65 14.514 3.371 -2.325 508 HD2 PRO 65 1HD PRO 65 13.166 5.435 -0.972 509 HD3 PRO 65 2HD PRO 65 12.481 3.843 -1.356 510 H ASP 66 H ASP 66 15.505 3.574 3.427 511 HA ASP 66 HA ASP 66 16.009 6.397 3.575 512 HB2 ASP 66 1HB ASP 66 16.614 4.109 5.484 513 HB3 ASP 66 2HB ASP 66 17.065 5.767 5.839 514 H GLY 67 H GLY 67 18.170 3.539 3.879 515 HA2 GLY 67 1HA GLY 67 20.506 5.165 3.085 516 HA3 GLY 67 2HA GLY 67 20.530 3.556 3.791 517 H GLU 68 H GLU 68 18.452 4.477 1.082 518 HA GLU 68 HA GLU 68 18.317 4.004 -1.101 519 HB2 GLU 68 1HB GLU 68 21.310 3.523 -0.925 520 HB3 GLU 68 2HB GLU 68 20.403 3.730 -2.421 521 HG2 GLU 68 1HG GLU 68 19.896 6.031 -1.876 522 HG3 GLU 68 2HG GLU 68 20.534 5.840 -0.247 523 H ASP 69 H ASP 69 19.726 1.441 0.849 524 HA ASP 69 HA ASP 69 19.796 -0.470 -1.383 525 HB2 ASP 69 1HB ASP 69 21.767 -0.263 0.139 526 HB3 ASP 69 2HB ASP 69 20.765 -0.757 1.503 527 H PHE 70 H PHE 70 18.374 -0.202 1.880 528 HA PHE 70 HA PHE 70 16.417 -2.335 1.266 529 HB2 PHE 70 1HB PHE 70 17.191 -1.085 3.956 530 HB3 PHE 70 2HB PHE 70 15.941 -2.303 3.736 531 HD1 PHE 70 HD2 PHE 70 16.583 -4.642 3.023 532 HD2 PHE 70 HD1 PHE 70 19.512 -1.725 4.144 533 HE1 PHE 70 HE2 PHE 70 18.247 -6.424 3.359 534 HE2 PHE 70 HE1 PHE 70 21.159 -3.522 4.488 535 HZ PHE 70 HZ PHE 70 20.527 -5.868 4.095 536 H LEU 71 H LEU 71 14.285 -1.767 1.071 537 HA LEU 71 HA LEU 71 13.473 1.019 1.707 538 HB2 LEU 71 1HB LEU 71 11.541 0.603 0.125 539 HB3 LEU 71 2HB LEU 71 13.122 0.726 -0.596 540 HG LEU 71 HG LEU 71 13.130 -1.832 -0.771 541 HD11 LEU 71 1HD1 LEU 71 11.344 -2.401 0.807 542 HD12 LEU 71 2HD1 LEU 71 10.971 -2.997 -0.808 543 HD13 LEU 71 3HD1 LEU 71 10.168 -1.548 -0.196 544 HD21 LEU 71 3HD2 LEU 71 11.760 -1.825 -2.820 545 HD22 LEU 71 1HD2 LEU 71 12.778 -0.389 -2.700 546 HD23 LEU 71 2HD2 LEU 71 11.054 -0.282 -2.340 547 H ALA 72 H ALA 72 11.337 1.310 2.736 548 HA ALA 72 HA ALA 72 10.584 -0.986 4.433 549 HB1 ALA 72 3HB ALA 72 12.387 0.186 5.614 550 HB2 ALA 72 1HB ALA 72 10.856 0.358 6.476 551 HB3 ALA 72 2HB ALA 72 11.492 1.703 5.517 552 H VAL 73 H VAL 73 8.480 -1.079 4.834 553 HA VAL 73 HA VAL 73 6.702 1.130 4.113 554 HB VAL 73 HB VAL 73 6.033 -1.222 3.533 555 HG11 VAL 73 1HG1 VAL 73 5.668 -1.631 6.510 556 HG12 VAL 73 2HG1 VAL 73 6.890 -2.411 5.505 557 HG13 VAL 73 3HG1 VAL 73 5.183 -2.760 5.232 558 HG21 VAL 73 3HG2 VAL 73 4.295 0.495 3.692 559 HG22 VAL 73 1HG2 VAL 73 4.113 0.183 5.416 560 HG23 VAL 73 2HG2 VAL 73 3.668 -1.063 4.241 561 H GLN 74 H GLN 74 5.611 2.371 5.624 562 HA GLN 74 HA GLN 74 6.739 2.305 8.353 563 HB2 GLN 74 1HB GLN 74 5.260 4.598 6.985 564 HB3 GLN 74 2HB GLN 74 6.188 4.676 8.476 565 HG2 GLN 74 1HG GLN 74 7.326 4.200 5.700 566 HG3 GLN 74 2HG GLN 74 7.365 5.728 6.580 567 HE21 GLN 74 2HE2 GLN 74 8.705 2.518 6.328 568 HE22 GLN 74 1HE2 GLN 74 10.059 2.776 7.365 569 H THR 75 H THR 75 5.380 0.881 9.418 570 HA THR 75 HA THR 75 2.614 0.587 8.661 571 HB THR 75 HB THR 75 2.690 -1.220 10.478 572 HG1 THR 75 HG1 THR 75 4.794 -1.700 11.299 573 HG21 THR 75 3HG2 THR 75 4.170 -2.737 9.202 574 HG22 THR 75 1HG2 THR 75 4.865 -1.359 8.348 575 HG23 THR 75 2HG2 THR 75 3.166 -1.780 8.109 576 H SER 76 H SER 76 4.159 1.139 11.855 577 HA SER 76 HA SER 76 2.701 3.430 12.580 578 HB2 SER 76 1HB SER 76 0.729 1.946 12.716 579 HB3 SER 76 2HB SER 76 1.608 0.817 13.740 580 HG SER 76 HG SER 76 0.815 1.953 15.308 581 H GLN 77 H GLN 77 3.728 4.341 14.333 582 HA GLN 77 HA GLN 77 5.787 2.914 15.774 583 HB2 GLN 77 1HB GLN 77 5.929 5.391 15.350 584 HB3 GLN 77 2HB GLN 77 4.551 5.639 16.417 585 HG2 GLN 77 1HG GLN 77 5.851 4.726 18.307 586 HG3 GLN 77 2HG GLN 77 7.239 4.483 17.253 587 HE21 GLN 77 2HE2 GLN 77 8.414 6.301 16.526 588 HE22 GLN 77 1HE2 GLN 77 8.263 7.842 17.292 589 H GLY 78 H GLY 78 4.878 1.167 16.890 590 HA2 GLY 78 1HA GLY 78 3.472 1.084 19.162 591 HA3 GLY 78 2HA GLY 78 2.197 1.309 17.957 592 H VAL 79 H VAL 79 3.809 -0.073 15.885 593 HA VAL 79 HA VAL 79 3.828 -2.888 16.814 594 HB VAL 79 HB VAL 79 2.949 -3.631 14.611 595 HG11 VAL 79 1HG1 VAL 79 0.582 -2.917 14.843 596 HG12 VAL 79 2HG1 VAL 79 1.084 -1.632 15.946 597 HG13 VAL 79 3HG1 VAL 79 1.297 -3.326 16.402 598 HG21 VAL 79 3HG2 VAL 79 1.968 -2.005 12.979 599 HG22 VAL 79 1HG2 VAL 79 3.709 -1.795 13.161 600 HG23 VAL 79 2HG2 VAL 79 2.600 -0.674 13.952 601 HA PRO 80 HA PRO 80 7.984 -2.980 15.109 602 HB2 PRO 80 1HB PRO 80 8.126 -5.458 13.857 603 HB3 PRO 80 2HB PRO 80 8.219 -5.233 15.608 604 HG2 PRO 80 1HG PRO 80 5.835 -5.956 13.909 605 HG3 PRO 80 2HG PRO 80 6.373 -6.691 15.437 606 HD2 PRO 80 1HD PRO 80 4.358 -4.914 15.408 607 HD3 PRO 80 2HD PRO 80 5.548 -4.888 16.729 608 H VAL 81 H VAL 81 8.990 -2.124 13.341 609 HA VAL 81 HA VAL 81 7.566 -1.872 10.782 610 HB VAL 81 HB VAL 81 10.100 -0.477 11.796 611 HG11 VAL 81 1HG1 VAL 81 8.489 0.087 9.267 612 HG12 VAL 81 2HG1 VAL 81 10.104 -0.625 9.318 613 HG13 VAL 81 3HG1 VAL 81 9.856 1.043 9.841 614 HG21 VAL 81 3HG2 VAL 81 7.268 0.598 11.536 615 HG22 VAL 81 1HG2 VAL 81 8.676 1.540 12.034 616 HG23 VAL 81 2HG2 VAL 81 8.087 0.221 13.053 617 H ARG 82 H ARG 82 8.322 -2.881 8.935 618 HA ARG 82 HA ARG 82 10.664 -4.691 9.172 619 HB2 ARG 82 1HB ARG 82 8.488 -5.826 9.046 620 HB3 ARG 82 2HB ARG 82 8.071 -4.928 7.598 621 HG2 ARG 82 1HG ARG 82 8.622 -7.199 7.028 622 HG3 ARG 82 2HG ARG 82 9.826 -6.113 6.346 623 HD2 ARG 82 1HD ARG 82 11.519 -6.887 7.773 624 HD3 ARG 82 2HD ARG 82 10.376 -7.442 8.997 625 HE ARG 82 HE ARG 82 10.238 -9.462 7.948 626 HH11 ARG 82 1HH1 ARG 82 11.757 -7.267 5.671 627 HH12 ARG 82 2HH1 ARG 82 12.076 -8.506 4.514 628 HH21 ARG 82 1HH2 ARG 82 10.645 -11.066 6.415 629 HH22 ARG 82 2HH2 ARG 82 11.441 -10.661 4.930 630 H ARG 83 H ARG 83 12.328 -4.358 7.760 631 HA ARG 83 HA ARG 83 12.002 -2.596 5.412 632 HB2 ARG 83 1HB ARG 83 14.505 -3.628 6.826 633 HB3 ARG 83 2HB ARG 83 14.514 -2.598 5.395 634 HG2 ARG 83 1HG ARG 83 13.514 -0.763 6.653 635 HG3 ARG 83 2HG ARG 83 13.336 -1.791 8.079 636 HD2 ARG 83 1HD ARG 83 15.992 -1.048 6.799 637 HD3 ARG 83 2HD ARG 83 15.284 -0.236 8.196 638 HE ARG 83 HE ARG 83 15.496 -2.321 9.439 639 HH11 ARG 83 1HH1 ARG 83 17.380 -2.157 6.476 640 HH12 ARG 83 2HH1 ARG 83 18.571 -3.283 7.041 641 HH21 ARG 83 1HH2 ARG 83 17.045 -3.789 10.140 642 HH22 ARG 83 2HH2 ARG 83 18.378 -4.206 9.116 643 H PHE 84 H PHE 84 13.088 -3.361 3.403 644 HA PHE 84 HA PHE 84 13.091 -6.276 3.025 645 HB2 PHE 84 1HB PHE 84 11.571 -4.574 1.009 646 HB3 PHE 84 2HB PHE 84 11.466 -6.301 1.293 647 HD1 PHE 84 HD1 PHE 84 10.355 -2.981 2.420 648 HD2 PHE 84 HD2 PHE 84 10.002 -7.197 3.022 649 HE1 PHE 84 HE1 PHE 84 8.382 -2.616 3.825 650 HE2 PHE 84 HE2 PHE 84 8.017 -6.818 4.415 651 HZ PHE 84 HZ PHE 84 7.218 -4.529 4.819 652 H GLN 85 H GLN 85 14.025 -6.891 0.989 653 HA GLN 85 HA GLN 85 16.104 -5.075 0.009 654 HB2 GLN 85 1HB GLN 85 15.546 -7.981 -0.756 655 HB3 GLN 85 2HB GLN 85 16.929 -7.039 -1.286 656 HG2 GLN 85 1HG GLN 85 17.673 -8.542 0.421 657 HG3 GLN 85 2HG GLN 85 17.676 -6.918 1.107 658 HE21 GLN 85 2HE2 GLN 85 16.003 -10.021 1.091 659 HE22 GLN 85 1HE2 GLN 85 15.224 -9.807 2.619 660 H THR 86 H THR 86 12.937 -6.237 -0.812 661 HA THR 86 HA THR 86 12.794 -4.731 -3.291 662 HB THR 86 HB THR 86 12.326 -7.762 -3.347 663 HG1 THR 86 HG1 THR 86 14.513 -6.191 -4.157 664 HG21 THR 86 3HG2 THR 86 12.239 -5.758 -5.634 665 HG22 THR 86 1HG2 THR 86 10.838 -6.569 -4.919 666 HG23 THR 86 2HG2 THR 86 12.055 -7.506 -5.784 667 H LEU 87 H LEU 87 10.643 -4.452 -3.978 668 HA LEU 87 HA LEU 87 8.575 -4.210 -2.078 669 HB2 LEU 87 1HB LEU 87 8.372 -4.290 -5.105 670 HB3 LEU 87 2HB LEU 87 7.017 -3.892 -4.056 671 HG LEU 87 HG LEU 87 9.588 -2.280 -4.299 672 HD11 LEU 87 1HD1 LEU 87 8.191 -0.602 -5.398 673 HD12 LEU 87 2HD1 LEU 87 6.790 -1.669 -5.288 674 HD13 LEU 87 3HD1 LEU 87 8.171 -2.125 -6.289 675 HD21 LEU 87 3HD2 LEU 87 8.664 -2.114 -2.015 676 HD22 LEU 87 1HD2 LEU 87 7.081 -1.683 -2.668 677 HD23 LEU 87 2HD2 LEU 87 8.457 -0.596 -2.882 678 H GLY 88 H GLY 88 9.291 -6.853 -4.308 679 HA2 GLY 88 1HA GLY 88 7.001 -8.395 -4.279 680 HA3 GLY 88 2HA GLY 88 8.625 -9.055 -4.385 681 H GLU 89 H GLU 89 9.544 -8.308 -1.811 682 HA GLU 89 HA GLU 89 8.591 -10.453 -0.202 683 HB2 GLU 89 1HB GLU 89 10.910 -9.536 -0.075 684 HB3 GLU 89 2HB GLU 89 10.279 -8.056 0.618 685 HG2 GLU 89 1HG GLU 89 9.614 -9.182 2.636 686 HG3 GLU 89 2HG GLU 89 9.916 -10.767 1.920 687 H LEU 90 H LEU 90 7.996 -6.979 -0.245 688 HA LEU 90 HA LEU 90 6.549 -6.715 2.134 689 HB2 LEU 90 1HB LEU 90 7.527 -4.859 0.743 690 HB3 LEU 90 2HB LEU 90 6.235 -5.077 -0.418 691 HG LEU 90 HG LEU 90 5.665 -4.322 2.483 692 HD11 LEU 90 1HD1 LEU 90 6.174 -2.416 0.185 693 HD12 LEU 90 2HD1 LEU 90 7.216 -2.669 1.590 694 HD13 LEU 90 3HD1 LEU 90 5.609 -1.978 1.801 695 HD21 LEU 90 3HD2 LEU 90 3.580 -3.340 1.570 696 HD22 LEU 90 1HD2 LEU 90 3.685 -5.063 1.213 697 HD23 LEU 90 2HD2 LEU 90 4.028 -3.883 -0.051 698 H ILE 91 H ILE 91 5.311 -7.013 -1.224 699 HA ILE 91 HA ILE 91 2.619 -7.057 -0.630 700 HB ILE 91 HB ILE 91 3.918 -8.540 -2.959 701 HG12 ILE 91 1HG1 ILE 91 4.746 -6.194 -2.859 702 HG13 ILE 91 2HG1 ILE 91 3.721 -6.441 -4.263 703 HG21 ILE 91 1HG2 ILE 91 1.794 -8.082 -4.167 704 HG22 ILE 91 2HG2 ILE 91 1.119 -7.371 -2.700 705 HG23 ILE 91 3HG2 ILE 91 1.537 -9.084 -2.735 706 HD11 ILE 91 3HD1 ILE 91 3.321 -4.285 -3.249 707 HD12 ILE 91 1HD1 ILE 91 2.919 -5.045 -1.707 708 HD13 ILE 91 2HD1 ILE 91 1.882 -5.295 -3.116 709 H GLY 92 H GLY 92 4.809 -9.842 -0.939 710 HA2 GLY 92 1HA GLY 92 2.957 -11.926 -0.527 711 HA3 GLY 92 2HA GLY 92 4.684 -12.022 -0.225 712 H LEU 93 H LEU 93 5.149 -10.388 1.850 713 HA LEU 93 HA LEU 93 4.275 -11.890 4.108 714 HB2 LEU 93 1HB LEU 93 6.500 -10.916 3.976 715 HB3 LEU 93 2HB LEU 93 5.837 -9.296 3.845 716 HG LEU 93 HG LEU 93 5.032 -9.449 6.208 717 HD11 LEU 93 1HD1 LEU 93 6.460 -12.124 6.279 718 HD12 LEU 93 2HD1 LEU 93 4.719 -11.869 6.399 719 HD13 LEU 93 3HD1 LEU 93 5.777 -11.276 7.674 720 HD21 LEU 93 3HD2 LEU 93 7.997 -10.019 5.898 721 HD22 LEU 93 1HD2 LEU 93 7.225 -9.259 7.294 722 HD23 LEU 93 2HD2 LEU 93 7.224 -8.439 5.734 723 H TYR 94 H TYR 94 3.467 -8.658 2.922 724 HA TYR 94 HA TYR 94 1.717 -8.041 5.141 725 HB2 TYR 94 1HB TYR 94 2.860 -6.434 2.851 726 HB3 TYR 94 2HB TYR 94 1.483 -5.813 3.756 727 HD1 TYR 94 HD1 TYR 94 5.032 -6.905 4.086 728 HD2 TYR 94 HD2 TYR 94 1.745 -4.938 5.983 729 HE1 TYR 94 HE1 TYR 94 6.505 -6.188 5.937 730 HE2 TYR 94 HE2 TYR 94 3.216 -4.215 7.803 731 HH TYR 94 HH TYR 94 5.339 -4.987 8.853 732 H ALA 95 H ALA 95 1.196 -9.804 2.376 733 HA ALA 95 HA ALA 95 -1.572 -9.300 2.102 734 HB1 ALA 95 3HB ALA 95 -0.056 -11.919 1.900 735 HB2 ALA 95 1HB ALA 95 -0.299 -10.757 0.596 736 HB3 ALA 95 2HB ALA 95 -1.680 -11.617 1.278 737 H GLN 96 H GLN 96 0.006 -9.930 4.960 738 HA GLN 96 HA GLN 96 -2.206 -11.407 6.243 739 HB2 GLN 96 1HB GLN 96 0.547 -10.639 7.311 740 HB3 GLN 96 2HB GLN 96 -0.663 -11.576 8.193 741 HG2 GLN 96 1HG GLN 96 0.746 -12.412 5.640 742 HG3 GLN 96 2HG GLN 96 1.085 -13.007 7.263 743 HE21 GLN 96 2HE2 GLN 96 -1.730 -13.254 8.062 744 HE22 GLN 96 1HE2 GLN 96 -2.360 -14.606 7.191 745 HA PRO 97 HA PRO 97 -3.563 -7.357 8.019 746 HB2 PRO 97 1HB PRO 97 -5.558 -9.005 9.490 747 HB3 PRO 97 2HB PRO 97 -5.821 -7.702 8.330 748 HG2 PRO 97 1HG PRO 97 -6.364 -10.256 7.683 749 HG3 PRO 97 2HG PRO 97 -5.708 -9.119 6.483 750 HD2 PRO 97 1HD PRO 97 -4.238 -11.234 8.081 751 HD3 PRO 97 2HD PRO 97 -4.141 -10.867 6.340 752 H ASN 98 H ASN 98 -4.357 -6.852 10.445 753 HA ASN 98 HA ASN 98 -3.595 -6.269 12.501 754 HB2 ASN 98 1HB ASN 98 -4.545 -8.645 12.809 755 HB3 ASN 98 2HB ASN 98 -2.886 -9.207 12.852 756 HD21 ASN 98 2HD2 ASN 98 -1.608 -8.724 14.703 757 HD22 ASN 98 1HD2 ASN 98 -2.311 -8.149 16.173 758 H GLN 99 H GLN 99 -1.665 -6.015 10.418 759 HA GLN 99 HA GLN 99 0.893 -6.137 11.877 760 HB2 GLN 99 1HB GLN 99 0.458 -7.535 9.201 761 HB3 GLN 99 2HB GLN 99 2.055 -7.191 9.859 762 HG2 GLN 99 1HG GLN 99 1.563 -8.608 11.818 763 HG3 GLN 99 2HG GLN 99 -0.051 -8.927 11.197 764 HE21 GLN 99 2HE2 GLN 99 0.187 -11.119 11.085 765 HE22 GLN 99 1HE2 GLN 99 1.269 -11.921 10.007 766 H GLY 100 H GLY 100 -1.012 -4.071 10.756 767 HA2 GLY 100 1HA GLY 100 0.028 -1.816 10.657 768 HA3 GLY 100 2HA GLY 100 1.017 -2.421 9.340 769 H LEU 101 H LEU 101 -1.066 -3.921 8.103 770 HA LEU 101 HA LEU 101 -2.268 -1.707 6.589 771 HB2 LEU 101 1HB LEU 101 -2.275 -4.659 5.867 772 HB3 LEU 101 2HB LEU 101 -2.694 -3.304 4.829 773 HG LEU 101 HG LEU 101 0.077 -4.109 5.799 774 HD11 LEU 101 1HD1 LEU 101 -1.059 -3.697 3.026 775 HD12 LEU 101 2HD1 LEU 101 -0.754 -5.247 3.810 776 HD13 LEU 101 3HD1 LEU 101 0.594 -4.186 3.412 777 HD21 LEU 101 3HD2 LEU 101 1.012 -2.115 4.694 778 HD22 LEU 101 1HD2 LEU 101 -0.037 -1.660 6.037 779 HD23 LEU 101 2HD2 LEU 101 -0.619 -1.510 4.376 780 H VAL 102 H VAL 102 -4.216 -1.134 6.839 781 HA VAL 102 HA VAL 102 -6.266 -1.494 8.374 782 HB VAL 102 HB VAL 102 -7.954 -1.023 6.526 783 HG11 VAL 102 1HG1 VAL 102 -7.016 1.175 5.922 784 HG12 VAL 102 2HG1 VAL 102 -5.425 0.652 6.479 785 HG13 VAL 102 3HG1 VAL 102 -6.752 0.805 7.629 786 HG21 VAL 102 3HG2 VAL 102 -7.126 -0.673 4.218 787 HG22 VAL 102 1HG2 VAL 102 -6.918 -2.356 4.717 788 HG23 VAL 102 2HG2 VAL 102 -5.532 -1.262 4.698 789 H CYS 103 H CYS 103 -5.982 -3.823 5.653 790 HA CYS 103 HA CYS 103 -7.111 -5.978 7.218 791 HB2 CYS 103 1HB CYS 103 -9.185 -4.783 6.441 792 HB3 CYS 103 2HB CYS 103 -8.661 -5.009 4.773 793 HG CYS 103 HG CYS 103 -8.800 -7.843 4.935 794 H ALA 104 H ALA 104 -4.668 -5.303 5.837 795 HA ALA 104 HA ALA 104 -3.029 -6.181 4.568 796 HB1 ALA 104 3HB ALA 104 -4.889 -8.522 4.055 797 HB2 ALA 104 1HB ALA 104 -3.759 -8.387 5.404 798 HB3 ALA 104 2HB ALA 104 -3.150 -8.476 3.752 799 H LEU 105 H LEU 105 -2.706 -7.253 2.236 800 HA LEU 105 HA LEU 105 -3.846 -5.400 0.322 801 HB2 LEU 105 1HB LEU 105 -1.776 -7.614 0.018 802 HB3 LEU 105 2HB LEU 105 -2.158 -6.395 -1.190 803 HG LEU 105 HG LEU 105 -0.918 -5.837 1.536 804 HD11 LEU 105 1HD1 LEU 105 0.667 -6.938 0.071 805 HD12 LEU 105 2HD1 LEU 105 1.111 -5.252 0.314 806 HD13 LEU 105 3HD1 LEU 105 0.359 -5.757 -1.205 807 HD21 LEU 105 3HD2 LEU 105 -2.329 -3.964 0.821 808 HD22 LEU 105 1HD2 LEU 105 -1.497 -3.896 -0.732 809 HD23 LEU 105 2HD2 LEU 105 -0.629 -3.518 0.757 810 H LEU 106 H LEU 106 -5.929 -5.970 -0.237 811 HA LEU 106 HA LEU 106 -6.591 -8.804 -0.681 812 HB2 LEU 106 1HB LEU 106 -8.446 -6.423 -0.397 813 HB3 LEU 106 2HB LEU 106 -8.945 -8.104 -0.501 814 HG LEU 106 HG LEU 106 -7.291 -6.908 1.765 815 HD11 LEU 106 1HD1 LEU 106 -9.295 -7.213 3.161 816 HD12 LEU 106 2HD1 LEU 106 -10.208 -7.735 1.745 817 HD13 LEU 106 3HD1 LEU 106 -9.587 -6.089 1.834 818 HD21 LEU 106 3HD2 LEU 106 -6.730 -9.272 1.419 819 HD22 LEU 106 1HD2 LEU 106 -8.438 -9.714 1.482 820 HD23 LEU 106 2HD2 LEU 106 -7.634 -9.065 2.917 821 H LEU 107 H LEU 107 -7.250 -5.695 -2.486 822 HA LEU 107 HA LEU 107 -7.600 -7.346 -4.951 823 HB2 LEU 107 1HB LEU 107 -9.145 -4.844 -4.167 824 HB3 LEU 107 2HB LEU 107 -9.169 -5.533 -5.777 825 HG LEU 107 HG LEU 107 -10.055 -7.700 -4.584 826 HD11 LEU 107 1HD1 LEU 107 -10.806 -5.654 -2.482 827 HD12 LEU 107 2HD1 LEU 107 -9.688 -7.002 -2.277 828 HD13 LEU 107 3HD1 LEU 107 -11.392 -7.315 -2.578 829 HD21 LEU 107 3HD2 LEU 107 -12.380 -6.941 -4.830 830 HD22 LEU 107 1HD2 LEU 107 -11.377 -6.405 -6.177 831 HD23 LEU 107 2HD2 LEU 107 -11.835 -5.263 -4.910 832 HA PRO 108 HA PRO 108 -4.121 -4.503 -6.086 833 HB2 PRO 108 1HB PRO 108 -3.106 -6.016 -8.138 834 HB3 PRO 108 2HB PRO 108 -2.778 -6.374 -6.439 835 HG2 PRO 108 1HG PRO 108 -4.775 -7.654 -8.291 836 HG3 PRO 108 2HG PRO 108 -3.696 -8.423 -7.108 837 HD2 PRO 108 1HD PRO 108 -6.355 -7.935 -6.606 838 HD3 PRO 108 2HD PRO 108 -5.124 -7.983 -5.327 839 H VAL 109 H VAL 109 -4.750 -2.694 -7.184 840 HA VAL 109 HA VAL 109 -6.300 -2.965 -9.691 841 HB VAL 109 HB VAL 109 -6.344 -0.559 -7.805 842 HG11 VAL 109 1HG1 VAL 109 -8.175 -1.329 -10.120 843 HG12 VAL 109 2HG1 VAL 109 -6.952 -0.053 -10.160 844 HG13 VAL 109 3HG1 VAL 109 -8.357 0.097 -9.099 845 HG21 VAL 109 3HG2 VAL 109 -8.570 -1.319 -7.034 846 HG22 VAL 109 1HG2 VAL 109 -7.325 -2.499 -6.614 847 HG23 VAL 109 2HG2 VAL 109 -8.399 -2.797 -7.985 Start of MODEL 8 1 H1 MET 1 1H MET 1 2.403 -6.606 -45.638 2 H2 MET 1 2H MET 1 1.194 -7.200 -44.618 3 H3 MET 1 3H MET 1 2.689 -6.749 -43.975 4 HA MET 1 HA MET 1 2.318 -4.468 -44.517 5 HB2 MET 1 1HB MET 1 0.986 -4.857 -46.574 6 HB3 MET 1 2HB MET 1 -0.354 -5.459 -45.613 7 HG2 MET 1 1HG MET 1 -0.719 -3.261 -44.658 8 HG3 MET 1 2HG MET 1 0.718 -2.631 -45.461 9 HE1 MET 1 3HE MET 1 0.921 -2.255 -48.075 10 HE2 MET 1 1HE MET 1 -0.370 -2.619 -49.227 11 HE3 MET 1 2HE MET 1 0.481 -3.930 -48.416 12 H GLY 2 H GLY 2 1.670 -3.271 -42.766 13 HA2 GLY 2 1HA GLY 2 0.415 -2.725 -40.837 14 HA3 GLY 2 2HA GLY 2 -0.273 -4.344 -40.816 15 H HIS 3 H HIS 3 2.936 -2.773 -40.665 16 HA HIS 3 HA HIS 3 4.121 -4.915 -39.191 17 HB2 HIS 3 1HB HIS 3 6.137 -3.462 -39.028 18 HB3 HIS 3 2HB HIS 3 5.545 -3.628 -40.667 19 HD1 HIS 3 HD1 HIS 3 4.594 -1.479 -41.817 20 HD2 HIS 3 HD2 HIS 3 6.144 -0.828 -38.014 21 HE1 HIS 3 HE1 HIS 3 4.889 1.007 -41.624 22 HE2 HIS 3 HE2 HIS 3 5.785 1.384 -39.308 23 H HIS 4 H HIS 4 2.806 -5.231 -37.401 24 HA HIS 4 HA HIS 4 3.595 -3.931 -35.000 25 HB2 HIS 4 1HB HIS 4 1.974 -2.204 -35.718 26 HB3 HIS 4 2HB HIS 4 0.724 -3.423 -35.926 27 HD1 HIS 4 HD1 HIS 4 -0.792 -3.674 -33.972 28 HD2 HIS 4 HD2 HIS 4 2.866 -2.059 -32.877 29 HE1 HIS 4 HE1 HIS 4 -0.985 -3.199 -31.520 30 HE2 HIS 4 HE2 HIS 4 1.316 -2.437 -30.845 31 H HIS 5 H HIS 5 4.011 -5.924 -34.175 32 HA HIS 5 HA HIS 5 1.721 -7.741 -33.685 33 HB2 HIS 5 1HB HIS 5 3.295 -9.677 -33.797 34 HB3 HIS 5 2HB HIS 5 3.137 -8.842 -35.330 35 HD1 HIS 5 HD1 HIS 5 5.267 -8.323 -36.475 36 HD2 HIS 5 HD2 HIS 5 5.846 -8.934 -32.405 37 HE1 HIS 5 HE1 HIS 5 7.753 -8.292 -36.139 38 HE2 HIS 5 HE2 HIS 5 8.078 -8.548 -33.658 39 H HIS 6 H HIS 6 3.377 -5.524 -32.201 40 HA HIS 6 HA HIS 6 3.866 -6.981 -29.691 41 HB2 HIS 6 1HB HIS 6 5.611 -5.378 -30.259 42 HB3 HIS 6 2HB HIS 6 4.433 -4.091 -30.479 43 HD1 HIS 6 HD1 HIS 6 5.107 -2.497 -28.653 44 HD2 HIS 6 HD2 HIS 6 4.748 -6.392 -27.252 45 HE1 HIS 6 HE1 HIS 6 5.366 -2.340 -26.158 46 HE2 HIS 6 HE2 HIS 6 4.979 -4.683 -25.329 47 H HIS 7 H HIS 7 1.968 -7.432 -28.797 48 HA HIS 7 HA HIS 7 0.368 -5.209 -27.743 49 HB2 HIS 7 1HB HIS 7 -0.925 -6.108 -29.667 50 HB3 HIS 7 2HB HIS 7 -0.823 -7.734 -29.003 51 HD1 HIS 7 HD1 HIS 7 -2.709 -8.421 -27.508 52 HD2 HIS 7 HD2 HIS 7 -2.463 -4.289 -27.919 53 HE1 HIS 7 HE1 HIS 7 -4.719 -7.503 -26.308 54 HE2 HIS 7 HE2 HIS 7 -4.467 -4.997 -26.446 55 H HIS 8 H HIS 8 1.890 -5.679 -26.038 56 HA HIS 8 HA HIS 8 1.508 -8.187 -24.538 57 HB2 HIS 8 1HB HIS 8 3.854 -7.518 -25.070 58 HB3 HIS 8 2HB HIS 8 3.630 -6.016 -24.182 59 HD1 HIS 8 HD1 HIS 8 4.391 -9.617 -23.734 60 HD2 HIS 8 HD2 HIS 8 3.485 -6.356 -21.315 61 HE1 HIS 8 HE1 HIS 8 5.038 -10.302 -21.411 62 HE2 HIS 8 HE2 HIS 8 4.540 -8.300 -19.973 63 H SER 9 H SER 9 -0.097 -8.075 -23.091 64 HA SER 9 HA SER 9 -0.466 -5.646 -21.417 65 HB2 SER 9 1HB SER 9 -2.752 -6.631 -20.966 66 HB3 SER 9 2HB SER 9 -2.483 -6.265 -22.671 67 HG SER 9 HG SER 9 -2.284 -8.817 -21.427 68 H HIS 10 H HIS 10 -0.747 -5.973 -19.124 69 HA HIS 10 HA HIS 10 -0.828 -8.494 -17.846 70 HB2 HIS 10 1HB HIS 10 1.330 -8.676 -16.761 71 HB3 HIS 10 2HB HIS 10 1.652 -8.489 -18.469 72 HD1 HIS 10 HD1 HIS 10 2.045 -5.698 -19.064 73 HD2 HIS 10 HD2 HIS 10 3.031 -7.165 -15.302 74 HE1 HIS 10 HE1 HIS 10 3.650 -4.030 -18.085 75 HE2 HIS 10 HE2 HIS 10 4.352 -5.032 -15.893 76 H MET 11 H MET 11 0.022 -5.085 -17.639 77 HA MET 11 HA MET 11 -0.394 -3.389 -16.247 78 HB2 MET 11 1HB MET 11 -2.814 -5.070 -15.499 79 HB3 MET 11 2HB MET 11 -2.580 -3.408 -14.968 80 HG2 MET 11 1HG MET 11 -4.081 -3.442 -16.865 81 HG3 MET 11 2HG MET 11 -2.565 -2.675 -17.339 82 HE1 MET 11 3HE MET 11 -4.695 -3.676 -19.514 83 HE2 MET 11 1HE MET 11 -3.638 -4.488 -20.670 84 HE3 MET 11 2HE MET 11 -3.143 -2.955 -19.950 85 H SER 12 H SER 12 -1.196 -3.035 -13.630 86 HA SER 12 HA SER 12 0.165 -4.739 -11.783 87 HB2 SER 12 1HB SER 12 2.092 -3.147 -11.305 88 HB3 SER 12 2HB SER 12 2.191 -3.945 -12.875 89 HG SER 12 HG SER 12 1.685 -1.265 -12.270 90 H TRP 13 H TRP 13 0.260 -3.836 -9.594 91 HA TRP 13 HA TRP 13 -1.785 -1.842 -9.018 92 HB2 TRP 13 1HB TRP 13 -0.858 -2.259 -6.565 93 HB3 TRP 13 2HB TRP 13 -1.868 -3.465 -7.336 94 HD1 TRP 13 HD1 TRP 13 -0.960 -5.863 -7.364 95 HE1 TRP 13 HE1 TRP 13 1.271 -6.992 -6.831 96 HE3 TRP 13 HE3 TRP 13 1.942 -1.700 -6.693 97 HZ2 TRP 13 HZ2 TRP 13 3.915 -6.242 -6.247 98 HZ3 TRP 13 HZ3 TRP 13 4.322 -2.005 -6.151 99 HH2 TRP 13 HH2 TRP 13 5.283 -4.235 -5.930 100 H TYR 14 H TYR 14 1.575 -1.975 -9.627 101 HA TYR 14 HA TYR 14 2.247 0.517 -8.291 102 HB2 TYR 14 1HB TYR 14 3.921 -1.381 -8.648 103 HB3 TYR 14 2HB TYR 14 3.960 -0.931 -10.352 104 HD1 TYR 14 HD1 TYR 14 4.803 0.189 -6.909 105 HD2 TYR 14 HD2 TYR 14 5.162 1.096 -11.070 106 HE1 TYR 14 HE1 TYR 14 6.490 1.904 -6.394 107 HE2 TYR 14 HE2 TYR 14 6.850 2.792 -10.548 108 HH TYR 14 HH TYR 14 7.481 4.231 -8.616 109 H HIS 15 H HIS 15 1.105 2.168 -9.089 110 HA HIS 15 HA HIS 15 0.677 2.464 -11.989 111 HB2 HIS 15 1HB HIS 15 -0.718 3.762 -9.609 112 HB3 HIS 15 2HB HIS 15 -1.041 4.190 -11.283 113 HD1 HIS 15 HD1 HIS 15 -2.189 2.342 -12.770 114 HD2 HIS 15 HD2 HIS 15 -2.021 1.495 -8.714 115 HE1 HIS 15 HE1 HIS 15 -3.818 0.462 -12.409 116 HE2 HIS 15 HE2 HIS 15 -3.605 -0.114 -9.964 117 H ARG 16 H ARG 16 1.920 3.788 -13.065 118 HA ARG 16 HA ARG 16 3.686 5.744 -11.779 119 HB2 ARG 16 1HB ARG 16 3.531 4.503 -14.555 120 HB3 ARG 16 2HB ARG 16 4.657 5.805 -14.179 121 HG2 ARG 16 1HG ARG 16 4.605 3.181 -12.646 122 HG3 ARG 16 2HG ARG 16 5.608 3.447 -14.080 123 HD2 ARG 16 1HD ARG 16 5.735 5.125 -11.538 124 HD3 ARG 16 2HD ARG 16 6.853 3.817 -11.946 125 HE ARG 16 HE ARG 16 6.784 5.666 -14.070 126 HH11 ARG 16 1HH1 ARG 16 7.922 5.615 -10.762 127 HH12 ARG 16 2HH1 ARG 16 9.246 6.678 -11.101 128 HH21 ARG 16 1HH2 ARG 16 8.509 7.012 -14.483 129 HH22 ARG 16 2HH2 ARG 16 9.579 7.468 -13.198 130 H ASP 17 H ASP 17 0.636 5.777 -13.169 131 HA ASP 17 HA ASP 17 0.903 8.473 -14.407 132 HB2 ASP 17 1HB ASP 17 -1.198 6.294 -14.871 133 HB3 ASP 17 2HB ASP 17 -1.210 7.887 -15.631 134 H LEU 18 H LEU 18 -0.119 6.982 -11.600 135 HA LEU 18 HA LEU 18 -2.574 8.577 -11.261 136 HB2 LEU 18 1HB LEU 18 -3.221 6.357 -11.441 137 HB3 LEU 18 2HB LEU 18 -1.808 5.741 -10.622 138 HG LEU 18 HG LEU 18 -3.771 7.298 -8.950 139 HD11 LEU 18 1HD1 LEU 18 -5.201 5.338 -8.614 140 HD12 LEU 18 2HD1 LEU 18 -4.311 4.457 -9.861 141 HD13 LEU 18 3HD1 LEU 18 -5.252 5.889 -10.288 142 HD21 LEU 18 3HD2 LEU 18 -1.721 6.432 -7.924 143 HD22 LEU 18 1HD2 LEU 18 -2.128 4.793 -8.436 144 HD23 LEU 18 2HD2 LEU 18 -3.133 5.628 -7.250 145 H SER 19 H SER 19 -2.680 9.923 -9.605 146 HA SER 19 HA SER 19 -0.421 10.279 -7.770 147 HB2 SER 19 1HB SER 19 -1.585 12.414 -7.197 148 HB3 SER 19 2HB SER 19 -1.349 12.245 -8.936 149 HG SER 19 HG SER 19 -3.443 12.125 -9.225 150 H ARG 20 H ARG 20 -1.276 11.128 -5.422 151 HA ARG 20 HA ARG 20 -2.409 9.028 -3.968 152 HB2 ARG 20 1HB ARG 20 -0.966 10.755 -2.964 153 HB3 ARG 20 2HB ARG 20 -2.186 11.985 -3.266 154 HG2 ARG 20 1HG ARG 20 -3.694 10.959 -1.648 155 HG3 ARG 20 2HG ARG 20 -2.578 9.614 -1.408 156 HD2 ARG 20 1HD ARG 20 -0.902 11.178 -0.468 157 HD3 ARG 20 2HD ARG 20 -2.024 12.524 -0.727 158 HE ARG 20 HE ARG 20 -3.001 10.336 0.924 159 HH11 ARG 20 1HH1 ARG 20 -1.523 13.517 0.937 160 HH12 ARG 20 2HH1 ARG 20 -1.978 13.849 2.575 161 HH21 ARG 20 1HH2 ARG 20 -3.576 10.765 3.052 162 HH22 ARG 20 2HH2 ARG 20 -3.129 12.272 3.786 163 H ALA 21 H ALA 21 -3.899 12.154 -4.905 164 HA ALA 21 HA ALA 21 -6.497 11.691 -3.972 165 HB1 ALA 21 3HB ALA 21 -5.683 13.897 -4.698 166 HB2 ALA 21 1HB ALA 21 -7.185 13.477 -5.527 167 HB3 ALA 21 2HB ALA 21 -5.640 13.348 -6.373 168 H ALA 22 H ALA 22 -5.078 11.009 -7.166 169 HA ALA 22 HA ALA 22 -7.340 9.806 -8.363 170 HB1 ALA 22 3HB ALA 22 -5.414 10.603 -9.666 171 HB2 ALA 22 1HB ALA 22 -5.768 8.913 -10.026 172 HB3 ALA 22 2HB ALA 22 -4.408 9.328 -8.976 173 H ALA 23 H ALA 23 -4.899 8.534 -6.182 174 HA ALA 23 HA ALA 23 -5.329 5.750 -6.602 175 HB1 ALA 23 3HB ALA 23 -3.309 6.629 -5.474 176 HB2 ALA 23 1HB ALA 23 -4.141 5.438 -4.470 177 HB3 ALA 23 2HB ALA 23 -4.295 7.161 -4.111 178 H GLU 24 H GLU 24 -6.408 7.932 -3.978 179 HA GLU 24 HA GLU 24 -8.082 6.263 -2.553 180 HB2 GLU 24 1HB GLU 24 -8.402 9.260 -3.030 181 HB3 GLU 24 2HB GLU 24 -9.105 8.354 -1.690 182 HG2 GLU 24 1HG GLU 24 -6.908 7.890 -0.777 183 HG3 GLU 24 2HG GLU 24 -6.122 8.619 -2.174 184 H GLU 25 H GLU 25 -8.834 8.294 -5.347 185 HA GLU 25 HA GLU 25 -11.664 7.900 -5.345 186 HB2 GLU 25 1HB GLU 25 -10.556 9.825 -6.516 187 HB3 GLU 25 2HB GLU 25 -9.889 8.699 -7.696 188 HG2 GLU 25 1HG GLU 25 -12.328 8.028 -8.204 189 HG3 GLU 25 2HG GLU 25 -12.798 9.435 -7.253 190 H LEU 26 H LEU 26 -9.100 6.609 -7.479 191 HA LEU 26 HA LEU 26 -10.755 4.935 -9.000 192 HB2 LEU 26 1HB LEU 26 -8.397 5.833 -9.517 193 HB3 LEU 26 2HB LEU 26 -7.774 4.487 -8.588 194 HG LEU 26 HG LEU 26 -9.589 4.025 -10.991 195 HD11 LEU 26 1HD1 LEU 26 -7.624 3.759 -12.423 196 HD12 LEU 26 2HD1 LEU 26 -6.571 4.287 -11.106 197 HD13 LEU 26 3HD1 LEU 26 -7.743 5.406 -11.805 198 HD21 LEU 26 3HD2 LEU 26 -9.220 2.073 -9.565 199 HD22 LEU 26 1HD2 LEU 26 -7.472 2.266 -9.709 200 HD23 LEU 26 2HD2 LEU 26 -8.441 1.851 -11.127 201 H LEU 27 H LEU 27 -9.038 4.298 -5.953 202 HA LEU 27 HA LEU 27 -9.468 1.481 -5.889 203 HB2 LEU 27 1HB LEU 27 -8.978 3.447 -3.623 204 HB3 LEU 27 2HB LEU 27 -9.087 1.707 -3.390 205 HG LEU 27 HG LEU 27 -6.968 3.160 -5.008 206 HD11 LEU 27 1HD1 LEU 27 -5.401 2.406 -3.288 207 HD12 LEU 27 2HD1 LEU 27 -6.736 1.693 -2.373 208 HD13 LEU 27 3HD1 LEU 27 -6.660 3.444 -2.615 209 HD21 LEU 27 3HD2 LEU 27 -7.446 1.013 -6.063 210 HD22 LEU 27 1HD2 LEU 27 -7.232 0.182 -4.521 211 HD23 LEU 27 2HD2 LEU 27 -5.864 0.985 -5.291 212 H ALA 28 H ALA 28 -11.257 4.284 -4.611 213 HA ALA 28 HA ALA 28 -13.326 2.877 -3.265 214 HB1 ALA 28 3HB ALA 28 -14.506 5.037 -3.192 215 HB2 ALA 28 1HB ALA 28 -13.388 5.694 -4.397 216 HB3 ALA 28 2HB ALA 28 -12.797 5.236 -2.801 217 H ARG 29 H ARG 29 -12.913 3.765 -6.611 218 HA ARG 29 HA ARG 29 -15.661 3.170 -7.362 219 HB2 ARG 29 1HB ARG 29 -13.195 3.867 -9.008 220 HB3 ARG 29 2HB ARG 29 -14.805 3.626 -9.687 221 HG2 ARG 29 1HG ARG 29 -15.623 5.524 -8.254 222 HG3 ARG 29 2HG ARG 29 -13.949 5.804 -7.759 223 HD2 ARG 29 1HD ARG 29 -14.657 7.319 -9.589 224 HD3 ARG 29 2HD ARG 29 -13.308 6.281 -10.062 225 HE ARG 29 HE ARG 29 -15.614 4.950 -10.846 226 HH11 ARG 29 1HH1 ARG 29 -14.099 8.015 -11.671 227 HH12 ARG 29 2HH1 ARG 29 -14.737 8.015 -13.284 228 HH21 ARG 29 1HH2 ARG 29 -16.405 4.959 -12.942 229 HH22 ARG 29 2HH2 ARG 29 -16.033 6.274 -14.010 230 H ALA 30 H ALA 30 -12.451 1.703 -7.819 231 HA ALA 30 HA ALA 30 -13.398 -0.340 -9.608 232 HB1 ALA 30 3HB ALA 30 -11.163 0.647 -9.880 233 HB2 ALA 30 1HB ALA 30 -11.066 -1.101 -9.675 234 HB3 ALA 30 2HB ALA 30 -10.662 -0.028 -8.328 235 H GLY 31 H GLY 31 -11.847 -0.499 -6.341 236 HA2 GLY 31 1HA GLY 31 -12.682 -3.304 -6.086 237 HA3 GLY 31 2HA GLY 31 -11.506 -2.460 -5.096 238 H ARG 32 H ARG 32 -12.941 -0.216 -4.398 239 HA ARG 32 HA ARG 32 -13.919 0.538 -2.522 240 HB2 ARG 32 1HB ARG 32 -15.735 0.469 -4.276 241 HB3 ARG 32 2HB ARG 32 -16.283 -1.055 -3.591 242 HG2 ARG 32 1HG ARG 32 -16.865 0.055 -1.490 243 HG3 ARG 32 2HG ARG 32 -16.205 1.581 -2.073 244 HD2 ARG 32 1HD ARG 32 -18.548 0.137 -3.341 245 HD3 ARG 32 2HD ARG 32 -18.711 1.419 -2.138 246 HE ARG 32 HE ARG 32 -17.147 2.125 -4.471 247 HH11 ARG 32 1HH1 ARG 32 -20.368 2.124 -3.079 248 HH12 ARG 32 2HH1 ARG 32 -20.933 3.412 -4.090 249 HH21 ARG 32 1HH2 ARG 32 -17.892 3.807 -5.789 250 HH22 ARG 32 2HH2 ARG 32 -19.527 4.367 -5.639 251 H ASP 33 H ASP 33 -12.420 -1.958 -1.985 252 HA ASP 33 HA ASP 33 -13.135 -2.673 0.565 253 HB2 ASP 33 1HB ASP 33 -15.222 -3.669 -0.347 254 HB3 ASP 33 2HB ASP 33 -14.292 -4.642 -1.477 255 H GLY 34 H GLY 34 -10.880 -2.669 0.793 256 HA2 GLY 34 1HA GLY 34 -8.902 -3.795 1.143 257 HA3 GLY 34 2HA GLY 34 -9.604 -5.222 0.394 258 H SER 35 H SER 35 -9.657 -2.240 -1.322 259 HA SER 35 HA SER 35 -8.013 -3.283 -3.464 260 HB2 SER 35 1HB SER 35 -8.687 -0.962 -4.464 261 HB3 SER 35 2HB SER 35 -9.966 -2.137 -4.203 262 HG SER 35 HG SER 35 -9.294 0.097 -2.609 263 H PHE 36 H PHE 36 -5.864 -2.857 -3.666 264 HA PHE 36 HA PHE 36 -4.686 -0.540 -2.245 265 HB2 PHE 36 1HB PHE 36 -2.852 -1.823 -1.423 266 HB3 PHE 36 2HB PHE 36 -4.273 -2.781 -1.042 267 HD1 PHE 36 HD1 PHE 36 -4.789 -4.840 -2.449 268 HD2 PHE 36 HD2 PHE 36 -1.101 -2.707 -2.850 269 HE1 PHE 36 HE1 PHE 36 -3.777 -6.780 -3.574 270 HE2 PHE 36 HE2 PHE 36 -0.101 -4.646 -3.984 271 HZ PHE 36 HZ PHE 36 -1.437 -6.685 -4.346 272 H LEU 37 H LEU 37 -2.772 0.279 -3.176 273 HA LEU 37 HA LEU 37 -1.569 -0.939 -5.498 274 HB2 LEU 37 1HB LEU 37 -1.773 1.101 -6.924 275 HB3 LEU 37 2HB LEU 37 -3.297 0.302 -6.621 276 HG LEU 37 HG LEU 37 -3.691 2.126 -4.803 277 HD11 LEU 37 1HD1 LEU 37 -2.590 4.288 -5.194 278 HD12 LEU 37 2HD1 LEU 37 -1.502 3.530 -6.361 279 HD13 LEU 37 3HD1 LEU 37 -1.450 3.056 -4.661 280 HD21 LEU 37 3HD2 LEU 37 -4.959 2.007 -6.904 281 HD22 LEU 37 1HD2 LEU 37 -3.703 2.936 -7.731 282 HD23 LEU 37 2HD2 LEU 37 -4.651 3.677 -6.437 283 H VAL 38 H VAL 38 0.455 0.257 -6.125 284 HA VAL 38 HA VAL 38 1.595 1.916 -3.951 285 HB VAL 38 HB VAL 38 3.165 -0.142 -5.589 286 HG11 VAL 38 1HG1 VAL 38 4.085 1.596 -3.245 287 HG12 VAL 38 2HG1 VAL 38 4.571 1.804 -4.929 288 HG13 VAL 38 3HG1 VAL 38 5.062 0.358 -4.045 289 HG21 VAL 38 3HG2 VAL 38 2.352 -0.280 -2.649 290 HG22 VAL 38 1HG2 VAL 38 3.396 -1.436 -3.482 291 HG23 VAL 38 2HG2 VAL 38 1.702 -1.286 -3.946 292 H ARG 39 H ARG 39 3.158 3.463 -4.738 293 HA ARG 39 HA ARG 39 3.384 4.127 -7.539 294 HB2 ARG 39 1HB ARG 39 2.363 6.468 -7.119 295 HB3 ARG 39 2HB ARG 39 1.230 5.132 -7.274 296 HG2 ARG 39 1HG ARG 39 0.819 5.071 -4.907 297 HG3 ARG 39 2HG ARG 39 2.145 6.187 -4.577 298 HD2 ARG 39 1HD ARG 39 -0.104 7.141 -6.354 299 HD3 ARG 39 2HD ARG 39 -0.405 7.004 -4.623 300 HE ARG 39 HE ARG 39 1.031 8.762 -4.212 301 HH11 ARG 39 1HH1 ARG 39 1.268 7.986 -7.640 302 HH12 ARG 39 2HH1 ARG 39 2.088 9.459 -8.020 303 HH21 ARG 39 1HH2 ARG 39 2.094 10.651 -4.737 304 HH22 ARG 39 2HH2 ARG 39 2.565 10.967 -6.379 305 H ASP 40 H ASP 40 4.339 6.604 -7.440 306 HA ASP 40 HA ASP 40 6.706 6.489 -5.686 307 HB2 ASP 40 1HB ASP 40 6.005 8.449 -7.933 308 HB3 ASP 40 2HB ASP 40 7.550 8.361 -7.079 309 H SER 41 H SER 41 6.680 7.667 -3.803 310 HA SER 41 HA SER 41 4.352 8.855 -2.827 311 HB2 SER 41 1HB SER 41 6.103 7.848 -1.369 312 HB3 SER 41 2HB SER 41 7.161 9.215 -1.705 313 HG SER 41 HG SER 41 4.626 9.297 -0.391 314 H GLU 42 H GLU 42 4.118 10.931 -1.914 315 HA GLU 42 HA GLU 42 5.140 13.218 -3.478 316 HB2 GLU 42 1HB GLU 42 2.886 14.205 -3.378 317 HB3 GLU 42 2HB GLU 42 2.819 12.627 -4.144 318 HG2 GLU 42 1HG GLU 42 2.015 13.195 -1.266 319 HG3 GLU 42 2HG GLU 42 0.898 13.057 -2.620 320 H SER 43 H SER 43 4.030 11.863 -0.429 321 HA SER 43 HA SER 43 4.415 14.092 1.261 322 HB2 SER 43 1HB SER 43 4.654 11.119 1.925 323 HB3 SER 43 2HB SER 43 4.377 12.425 3.082 324 HG SER 43 HG SER 43 2.599 12.105 0.926 325 H VAL 44 H VAL 44 6.544 11.525 0.077 326 HA VAL 44 HA VAL 44 8.930 12.979 1.070 327 HB VAL 44 HB VAL 44 8.716 9.940 0.827 328 HG11 VAL 44 1HG1 VAL 44 10.872 11.681 2.094 329 HG12 VAL 44 2HG1 VAL 44 11.008 10.803 0.565 330 HG13 VAL 44 3HG1 VAL 44 10.852 9.912 2.081 331 HG21 VAL 44 3HG2 VAL 44 8.626 9.798 3.277 332 HG22 VAL 44 1HG2 VAL 44 7.234 10.686 2.650 333 HG23 VAL 44 2HG2 VAL 44 8.577 11.560 3.396 334 H ALA 45 H ALA 45 10.029 13.708 -0.663 335 HA ALA 45 HA ALA 45 9.675 12.895 -3.349 336 HB1 ALA 45 3HB ALA 45 11.990 14.434 -2.109 337 HB2 ALA 45 1HB ALA 45 10.487 15.136 -2.718 338 HB3 ALA 45 2HB ALA 45 11.607 14.352 -3.832 339 H GLY 46 H GLY 46 10.661 11.322 -4.566 340 HA2 GLY 46 1HA GLY 46 12.330 9.881 -5.329 341 HA3 GLY 46 2HA GLY 46 13.296 10.234 -3.903 342 H ALA 47 H ALA 47 10.255 9.560 -2.846 343 HA ALA 47 HA ALA 47 10.999 6.810 -2.052 344 HB1 ALA 47 3HB ALA 47 10.697 8.392 -0.202 345 HB2 ALA 47 1HB ALA 47 9.498 7.099 -0.143 346 HB3 ALA 47 2HB ALA 47 9.041 8.706 -0.722 347 H PHE 48 H PHE 48 8.947 5.504 -1.446 348 HA PHE 48 HA PHE 48 6.997 5.592 -3.689 349 HB2 PHE 48 1HB PHE 48 7.695 3.141 -2.016 350 HB3 PHE 48 2HB PHE 48 6.719 3.184 -3.478 351 HD1 PHE 48 HD2 PHE 48 7.917 4.004 -5.653 352 HD2 PHE 48 HD1 PHE 48 10.003 2.650 -2.169 353 HE1 PHE 48 HE2 PHE 48 9.932 3.612 -7.003 354 HE2 PHE 48 HE1 PHE 48 12.014 2.272 -3.527 355 HZ PHE 48 HZ PHE 48 11.983 2.751 -5.946 356 H ALA 49 H ALA 49 4.762 5.163 -3.163 357 HA ALA 49 HA ALA 49 4.007 5.210 -0.300 358 HB1 ALA 49 3HB ALA 49 2.075 6.647 -0.874 359 HB2 ALA 49 1HB ALA 49 2.613 6.711 -2.558 360 HB3 ALA 49 2HB ALA 49 3.597 7.438 -1.287 361 H LEU 50 H LEU 50 2.269 3.937 0.254 362 HA LEU 50 HA LEU 50 1.134 2.064 -1.734 363 HB2 LEU 50 1HB LEU 50 2.605 0.817 -0.277 364 HB3 LEU 50 2HB LEU 50 2.014 1.642 1.150 365 HG LEU 50 HG LEU 50 -0.143 0.428 0.974 366 HD11 LEU 50 1HD1 LEU 50 -0.269 0.060 -1.437 367 HD12 LEU 50 2HD1 LEU 50 -0.444 -1.456 -0.559 368 HD13 LEU 50 3HD1 LEU 50 1.084 -1.071 -1.356 369 HD21 LEU 50 3HD2 LEU 50 0.673 -1.789 1.646 370 HD22 LEU 50 1HD2 LEU 50 1.645 -0.506 2.367 371 HD23 LEU 50 2HD2 LEU 50 2.269 -1.417 0.988 372 H CYS 51 H CYS 51 -0.958 2.631 -2.041 373 HA CYS 51 HA CYS 51 -2.486 3.960 0.106 374 HB2 CYS 51 1HB CYS 51 -2.234 5.186 -2.064 375 HB3 CYS 51 2HB CYS 51 -2.999 3.843 -2.901 376 HG CYS 51 HG CYS 51 -5.405 4.194 -1.337 377 H VAL 52 H VAL 52 -3.936 2.689 1.132 378 HA VAL 52 HA VAL 52 -5.030 0.261 -0.175 379 HB VAL 52 HB VAL 52 -4.258 0.464 2.785 380 HG11 VAL 52 1HG1 VAL 52 -5.177 -1.940 1.152 381 HG12 VAL 52 2HG1 VAL 52 -6.129 -1.084 2.371 382 HG13 VAL 52 3HG1 VAL 52 -4.683 -1.977 2.851 383 HG21 VAL 52 3HG2 VAL 52 -2.395 -1.092 2.323 384 HG22 VAL 52 1HG2 VAL 52 -2.195 0.425 1.436 385 HG23 VAL 52 2HG2 VAL 52 -2.757 -1.024 0.596 386 H LEU 53 H LEU 53 -7.228 0.001 0.120 387 HA LEU 53 HA LEU 53 -8.696 2.024 1.706 388 HB2 LEU 53 1HB LEU 53 -9.182 2.304 -0.630 389 HB3 LEU 53 2HB LEU 53 -9.362 0.578 -0.878 390 HG LEU 53 HG LEU 53 -11.490 0.588 0.393 391 HD11 LEU 53 1HD1 LEU 53 -12.594 2.634 1.099 392 HD12 LEU 53 2HD1 LEU 53 -11.208 3.598 0.595 393 HD13 LEU 53 3HD1 LEU 53 -11.053 2.465 1.939 394 HD21 LEU 53 3HD2 LEU 53 -11.564 0.893 -2.021 395 HD22 LEU 53 1HD2 LEU 53 -11.416 2.645 -1.831 396 HD23 LEU 53 2HD2 LEU 53 -12.854 1.803 -1.238 397 H TYR 54 H TYR 54 -10.072 1.348 3.213 398 HA TYR 54 HA TYR 54 -11.155 -1.372 3.256 399 HB2 TYR 54 1HB TYR 54 -9.176 -1.371 4.769 400 HB3 TYR 54 2HB TYR 54 -9.821 0.013 5.632 401 HD1 TYR 54 HD1 TYR 54 -10.523 -3.579 4.837 402 HD2 TYR 54 HD2 TYR 54 -11.287 -0.344 7.516 403 HE1 TYR 54 HE1 TYR 54 -11.628 -5.118 6.387 404 HE2 TYR 54 HE2 TYR 54 -12.401 -1.892 9.065 405 HH TYR 54 HH TYR 54 -12.111 -5.246 8.808 406 H GLN 55 H GLN 55 -13.212 -0.726 2.808 407 HA GLN 55 HA GLN 55 -15.275 0.196 2.996 408 HB2 GLN 55 1HB GLN 55 -14.659 -0.308 5.929 409 HB3 GLN 55 2HB GLN 55 -16.274 -0.152 5.236 410 HG2 GLN 55 1HG GLN 55 -15.891 -2.182 3.877 411 HG3 GLN 55 2HG GLN 55 -14.266 -2.327 4.549 412 HE21 GLN 55 2HE2 GLN 55 -14.705 -4.369 5.391 413 HE22 GLN 55 1HE2 GLN 55 -15.732 -4.612 6.759 414 H LYS 56 H LYS 56 -14.526 2.299 2.240 415 HA LYS 56 HA LYS 56 -14.255 4.521 2.203 416 HB2 LYS 56 1HB LYS 56 -16.692 4.197 2.920 417 HB3 LYS 56 2HB LYS 56 -16.178 4.569 4.562 418 HG2 LYS 56 1HG LYS 56 -15.406 6.812 3.782 419 HG3 LYS 56 2HG LYS 56 -15.987 6.428 2.157 420 HD2 LYS 56 1HD LYS 56 -18.293 6.229 3.016 421 HD3 LYS 56 2HD LYS 56 -17.724 6.559 4.657 422 HE2 LYS 56 1HE LYS 56 -16.992 8.819 3.933 423 HE3 LYS 56 2HE LYS 56 -17.581 8.483 2.303 424 HZ1 LYS 56 3HZ LYS 56 -19.251 8.550 4.758 425 HZ2 LYS 56 1HZ LYS 56 -19.808 8.273 3.186 426 HZ3 LYS 56 2HZ LYS 56 -19.160 9.781 3.600 427 H HIS 57 H HIS 57 -12.259 3.182 3.712 428 HA HIS 57 HA HIS 57 -11.197 5.571 5.074 429 HB2 HIS 57 1HB HIS 57 -12.039 3.982 6.845 430 HB3 HIS 57 2HB HIS 57 -10.916 2.767 6.251 431 HD1 HIS 57 HD1 HIS 57 -9.312 2.587 8.133 432 HD2 HIS 57 HD2 HIS 57 -10.056 6.545 7.136 433 HE1 HIS 57 HE1 HIS 57 -7.824 3.942 9.626 434 HE2 HIS 57 HE2 HIS 57 -8.451 6.329 9.151 435 H VAL 58 H VAL 58 -9.721 6.070 3.560 436 HA VAL 58 HA VAL 58 -7.919 3.997 2.470 437 HB VAL 58 HB VAL 58 -8.116 6.900 1.524 438 HG11 VAL 58 1HG1 VAL 58 -6.988 4.399 0.197 439 HG12 VAL 58 2HG1 VAL 58 -6.050 5.723 0.893 440 HG13 VAL 58 3HG1 VAL 58 -7.046 6.005 -0.533 441 HG21 VAL 58 3HG2 VAL 58 -10.339 5.874 1.231 442 HG22 VAL 58 1HG2 VAL 58 -9.610 4.525 0.357 443 HG23 VAL 58 2HG2 VAL 58 -9.555 6.151 -0.326 444 H HIS 59 H HIS 59 -5.877 3.911 3.283 445 HA HIS 59 HA HIS 59 -4.664 6.370 4.396 446 HB2 HIS 59 1HB HIS 59 -4.565 3.510 5.335 447 HB3 HIS 59 2HB HIS 59 -3.085 4.442 5.486 448 HD1 HIS 59 HD1 HIS 59 -3.309 4.226 8.058 449 HD2 HIS 59 HD2 HIS 59 -6.380 6.348 6.250 450 HE1 HIS 59 HE1 HIS 59 -4.504 5.388 9.925 451 HE2 HIS 59 HE2 HIS 59 -6.228 6.807 8.786 452 H THR 60 H THR 60 -2.579 6.828 3.829 453 HA THR 60 HA THR 60 -1.390 5.340 1.564 454 HB THR 60 HB THR 60 -0.319 7.623 0.971 455 HG1 THR 60 HG1 THR 60 -2.476 8.644 2.537 456 HG21 THR 60 3HG2 THR 60 -3.339 7.378 0.701 457 HG22 THR 60 1HG2 THR 60 -2.149 6.656 -0.383 458 HG23 THR 60 2HG2 THR 60 -2.300 8.411 -0.282 459 H TYR 61 H TYR 61 0.733 4.805 1.814 460 HA TYR 61 HA TYR 61 1.992 5.320 4.454 461 HB2 TYR 61 1HB TYR 61 1.982 2.647 2.949 462 HB3 TYR 61 2HB TYR 61 2.742 2.963 4.508 463 HD1 TYR 61 HD2 TYR 61 1.336 3.208 6.567 464 HD2 TYR 61 HD1 TYR 61 -0.426 2.246 2.791 465 HE1 TYR 61 HE2 TYR 61 -0.727 2.498 7.703 466 HE2 TYR 61 HE1 TYR 61 -2.485 1.550 3.923 467 HH TYR 61 HH TYR 61 -3.046 2.147 7.275 468 H ARG 62 H ARG 62 3.678 6.654 3.800 469 HA ARG 62 HA ARG 62 5.182 6.406 1.423 470 HB2 ARG 62 1HB ARG 62 7.020 7.682 2.618 471 HB3 ARG 62 2HB ARG 62 5.456 8.477 2.602 472 HG2 ARG 62 1HG ARG 62 6.291 6.865 5.019 473 HG3 ARG 62 2HG ARG 62 6.926 8.494 4.779 474 HD2 ARG 62 1HD ARG 62 4.562 9.326 4.634 475 HD3 ARG 62 2HD ARG 62 4.007 7.702 5.053 476 HE ARG 62 HE ARG 62 5.604 8.171 7.111 477 HH11 ARG 62 1HH1 ARG 62 3.223 10.323 5.674 478 HH12 ARG 62 2HH1 ARG 62 2.990 11.230 7.129 479 HH21 ARG 62 1HH2 ARG 62 5.278 9.364 9.005 480 HH22 ARG 62 2HH2 ARG 62 4.144 10.681 9.021 481 H ILE 63 H ILE 63 7.795 5.680 1.614 482 HA ILE 63 HA ILE 63 7.988 3.124 2.696 483 HB ILE 63 HB ILE 63 7.414 3.250 -0.313 484 HG12 ILE 63 1HG1 ILE 63 5.991 1.601 1.826 485 HG13 ILE 63 2HG1 ILE 63 5.334 3.038 1.046 486 HG21 ILE 63 1HG2 ILE 63 9.381 1.828 0.105 487 HG22 ILE 63 2HG2 ILE 63 8.015 0.842 -0.418 488 HG23 ILE 63 3HG2 ILE 63 8.469 0.885 1.288 489 HD11 ILE 63 3HD1 ILE 63 4.382 1.006 0.134 490 HD12 ILE 63 1HD1 ILE 63 5.984 0.424 -0.315 491 HD13 ILE 63 2HD1 ILE 63 5.310 1.859 -1.100 492 H LEU 64 H LEU 64 10.237 3.249 3.021 493 HA LEU 64 HA LEU 64 11.551 5.495 1.687 494 HB2 LEU 64 1HB LEU 64 12.122 3.973 4.250 495 HB3 LEU 64 2HB LEU 64 13.316 5.048 3.545 496 HG LEU 64 HG LEU 64 11.720 6.958 3.770 497 HD11 LEU 64 1HD1 LEU 64 9.582 5.810 3.691 498 HD12 LEU 64 2HD1 LEU 64 9.710 6.734 5.184 499 HD13 LEU 64 3HD1 LEU 64 9.931 4.984 5.214 500 HD21 LEU 64 3HD2 LEU 64 12.290 5.500 6.366 501 HD22 LEU 64 1HD2 LEU 64 11.908 7.217 6.205 502 HD23 LEU 64 2HD2 LEU 64 13.395 6.579 5.509 503 HA PRO 65 HA PRO 65 13.523 2.372 -0.963 504 HB2 PRO 65 1HB PRO 65 15.091 4.730 -1.945 505 HB3 PRO 65 2HB PRO 65 14.095 3.584 -2.857 506 HG2 PRO 65 1HG PRO 65 13.247 6.080 -2.413 507 HG3 PRO 65 2HG PRO 65 12.111 4.715 -2.368 508 HD2 PRO 65 1HD PRO 65 13.390 6.196 -0.064 509 HD3 PRO 65 2HD PRO 65 11.704 5.666 -0.270 510 H ASP 66 H ASP 66 15.362 4.941 0.753 511 HA ASP 66 HA ASP 66 17.026 4.909 2.200 512 HB2 ASP 66 1HB ASP 66 15.476 3.189 3.227 513 HB3 ASP 66 2HB ASP 66 16.461 1.937 2.488 514 H GLY 67 H GLY 67 18.737 5.439 0.922 515 HA2 GLY 67 1HA GLY 67 19.988 4.020 -1.065 516 HA3 GLY 67 2HA GLY 67 20.728 5.313 -0.150 517 H GLU 68 H GLU 68 20.146 1.844 -0.154 518 HA GLU 68 HA GLU 68 22.904 1.239 0.357 519 HB2 GLU 68 1HB GLU 68 20.729 0.270 2.281 520 HB3 GLU 68 2HB GLU 68 22.261 -0.572 2.082 521 HG2 GLU 68 1HG GLU 68 23.450 1.492 2.822 522 HG3 GLU 68 2HG GLU 68 21.889 2.261 3.104 523 H ASP 69 H ASP 69 20.116 -0.965 0.805 524 HA ASP 69 HA ASP 69 19.827 -1.563 -2.035 525 HB2 ASP 69 1HB ASP 69 21.871 -2.841 -1.368 526 HB3 ASP 69 2HB ASP 69 20.947 -3.676 -0.131 527 H PHE 70 H PHE 70 18.257 -1.026 0.765 528 HA PHE 70 HA PHE 70 16.115 -2.979 0.198 529 HB2 PHE 70 1HB PHE 70 15.750 -3.361 2.601 530 HB3 PHE 70 2HB PHE 70 17.357 -3.871 2.099 531 HD1 PHE 70 HD1 PHE 70 19.341 -2.331 2.623 532 HD2 PHE 70 HD2 PHE 70 15.493 -1.789 4.394 533 HE1 PHE 70 HE1 PHE 70 20.348 -1.001 4.422 534 HE2 PHE 70 HE2 PHE 70 16.514 -0.454 6.182 535 HZ PHE 70 HZ PHE 70 18.937 -0.061 6.198 536 H LEU 71 H LEU 71 14.070 -2.371 0.700 537 HA LEU 71 HA LEU 71 13.515 0.448 1.308 538 HB2 LEU 71 1HB LEU 71 11.687 0.530 -0.262 539 HB3 LEU 71 2HB LEU 71 13.128 0.030 -1.120 540 HG LEU 71 HG LEU 71 10.946 -1.924 -0.261 541 HD11 LEU 71 1HD1 LEU 71 11.255 -0.595 -2.969 542 HD12 LEU 71 2HD1 LEU 71 9.966 -0.304 -1.798 543 HD13 LEU 71 3HD1 LEU 71 10.114 -1.884 -2.564 544 HD21 LEU 71 3HD2 LEU 71 11.939 -3.453 -1.917 545 HD22 LEU 71 1HD2 LEU 71 13.108 -3.009 -0.674 546 HD23 LEU 71 2HD2 LEU 71 13.200 -2.268 -2.275 547 H ALA 72 H ALA 72 12.113 0.755 2.945 548 HA ALA 72 HA ALA 72 10.615 -1.573 4.028 549 HB1 ALA 72 3HB ALA 72 11.777 0.782 5.570 550 HB2 ALA 72 1HB ALA 72 12.446 -0.853 5.521 551 HB3 ALA 72 2HB ALA 72 10.872 -0.569 6.264 552 H VAL 73 H VAL 73 8.546 -1.188 4.866 553 HA VAL 73 HA VAL 73 7.112 1.100 3.661 554 HB VAL 73 HB VAL 73 5.965 -1.321 5.135 555 HG11 VAL 73 1HG1 VAL 73 3.755 -0.612 4.226 556 HG12 VAL 73 2HG1 VAL 73 4.498 0.838 3.546 557 HG13 VAL 73 3HG1 VAL 73 4.430 0.619 5.297 558 HG21 VAL 73 3HG2 VAL 73 5.288 -2.127 2.902 559 HG22 VAL 73 1HG2 VAL 73 7.042 -1.964 3.020 560 HG23 VAL 73 2HG2 VAL 73 6.098 -0.749 2.156 561 H GLN 74 H GLN 74 6.220 2.737 4.928 562 HA GLN 74 HA GLN 74 7.150 2.771 7.738 563 HB2 GLN 74 1HB GLN 74 8.431 4.337 6.359 564 HB3 GLN 74 2HB GLN 74 6.956 5.088 5.776 565 HG2 GLN 74 1HG GLN 74 8.096 6.455 7.475 566 HG3 GLN 74 2HG GLN 74 6.478 5.979 7.986 567 HE21 GLN 74 2HE2 GLN 74 7.037 6.372 10.178 568 HE22 GLN 74 1HE2 GLN 74 8.039 5.287 11.071 569 H THR 75 H THR 75 5.732 3.257 9.229 570 HA THR 75 HA THR 75 2.949 3.916 8.546 571 HB THR 75 HB THR 75 3.111 1.461 8.423 572 HG1 THR 75 HG1 THR 75 1.554 0.995 10.142 573 HG21 THR 75 3HG2 THR 75 4.104 1.556 11.293 574 HG22 THR 75 1HG2 THR 75 5.046 1.069 9.879 575 HG23 THR 75 2HG2 THR 75 3.675 0.094 10.405 576 H SER 76 H SER 76 1.761 3.723 10.980 577 HA SER 76 HA SER 76 2.624 6.211 12.054 578 HB2 SER 76 1HB SER 76 0.244 5.555 11.779 579 HB3 SER 76 2HB SER 76 0.438 4.325 13.024 580 HG SER 76 HG SER 76 0.768 5.946 14.538 581 H GLN 77 H GLN 77 4.047 3.330 12.733 582 HA GLN 77 HA GLN 77 5.555 2.628 14.243 583 HB2 GLN 77 1HB GLN 77 6.343 4.934 14.493 584 HB3 GLN 77 2HB GLN 77 5.055 5.288 15.636 585 HG2 GLN 77 1HG GLN 77 6.062 3.639 17.226 586 HG3 GLN 77 2HG GLN 77 7.388 3.400 16.087 587 HE21 GLN 77 2HE2 GLN 77 7.368 4.475 18.870 588 HE22 GLN 77 1HE2 GLN 77 8.117 6.029 18.770 589 H GLY 78 H GLY 78 5.459 1.188 16.007 590 HA2 GLY 78 1HA GLY 78 4.531 0.573 18.176 591 HA3 GLY 78 2HA GLY 78 2.954 1.139 17.589 592 H VAL 79 H VAL 79 2.295 0.213 15.449 593 HA VAL 79 HA VAL 79 2.732 -2.516 14.895 594 HB VAL 79 HB VAL 79 1.998 -1.846 12.490 595 HG11 VAL 79 1HG1 VAL 79 0.188 -1.099 14.824 596 HG12 VAL 79 2HG1 VAL 79 0.418 -2.724 14.177 597 HG13 VAL 79 3HG1 VAL 79 -0.352 -1.485 13.186 598 HG21 VAL 79 3HG2 VAL 79 1.002 0.408 12.211 599 HG22 VAL 79 1HG2 VAL 79 2.728 0.539 12.561 600 HG23 VAL 79 2HG2 VAL 79 1.547 0.866 13.827 601 HA PRO 80 HA PRO 80 7.069 -1.959 13.972 602 HB2 PRO 80 1HB PRO 80 7.282 -4.851 13.416 603 HB3 PRO 80 2HB PRO 80 7.880 -3.935 14.805 604 HG2 PRO 80 1HG PRO 80 5.816 -5.693 15.016 605 HG3 PRO 80 2HG PRO 80 5.922 -4.229 16.013 606 HD2 PRO 80 1HD PRO 80 4.311 -4.672 13.492 607 HD3 PRO 80 2HD PRO 80 3.803 -3.961 15.043 608 H VAL 81 H VAL 81 6.711 -0.792 11.822 609 HA VAL 81 HA VAL 81 7.181 -1.440 9.380 610 HB VAL 81 HB VAL 81 9.287 0.030 11.038 611 HG11 VAL 81 1HG1 VAL 81 9.019 0.004 7.998 612 HG12 VAL 81 2HG1 VAL 81 10.366 -0.647 8.932 613 HG13 VAL 81 3HG1 VAL 81 10.068 1.091 8.910 614 HG21 VAL 81 3HG2 VAL 81 8.183 2.090 10.230 615 HG22 VAL 81 1HG2 VAL 81 7.050 1.065 11.113 616 HG23 VAL 81 2HG2 VAL 81 7.001 1.119 9.350 617 H ARG 82 H ARG 82 7.992 -3.113 8.287 618 HA ARG 82 HA ARG 82 10.464 -4.500 9.155 619 HB2 ARG 82 1HB ARG 82 8.216 -5.528 7.352 620 HB3 ARG 82 2HB ARG 82 9.620 -6.449 7.889 621 HG2 ARG 82 1HG ARG 82 7.391 -5.397 9.670 622 HG3 ARG 82 2HG ARG 82 7.597 -7.069 9.137 623 HD2 ARG 82 1HD ARG 82 9.750 -7.190 10.372 624 HD3 ARG 82 2HD ARG 82 9.537 -5.520 10.903 625 HE ARG 82 HE ARG 82 8.021 -6.218 12.475 626 HH11 ARG 82 1HH1 ARG 82 8.609 -8.930 10.308 627 HH12 ARG 82 2HH1 ARG 82 7.844 -10.078 11.356 628 HH21 ARG 82 1HH2 ARG 82 7.048 -7.749 13.828 629 HH22 ARG 82 2HH2 ARG 82 6.956 -9.407 13.335 630 H ARG 83 H ARG 83 12.131 -4.699 7.650 631 HA ARG 83 HA ARG 83 11.955 -3.067 5.220 632 HB2 ARG 83 1HB ARG 83 14.480 -3.298 5.245 633 HB3 ARG 83 2HB ARG 83 13.785 -2.426 6.606 634 HG2 ARG 83 1HG ARG 83 14.065 -4.413 8.047 635 HG3 ARG 83 2HG ARG 83 14.715 -5.320 6.680 636 HD2 ARG 83 1HD ARG 83 16.677 -3.884 6.579 637 HD3 ARG 83 2HD ARG 83 15.996 -2.794 7.787 638 HE ARG 83 HE ARG 83 16.618 -4.235 9.456 639 HH11 ARG 83 1HH1 ARG 83 17.046 -5.965 6.412 640 HH12 ARG 83 2HH1 ARG 83 18.018 -7.209 7.130 641 HH21 ARG 83 1HH2 ARG 83 17.855 -5.879 10.359 642 HH22 ARG 83 2HH2 ARG 83 18.468 -7.159 9.362 643 H PHE 84 H PHE 84 12.493 -3.820 3.217 644 HA PHE 84 HA PHE 84 12.727 -6.727 2.737 645 HB2 PHE 84 1HB PHE 84 10.795 -4.922 1.199 646 HB3 PHE 84 2HB PHE 84 10.987 -6.667 1.016 647 HD1 PHE 84 HD1 PHE 84 10.361 -8.171 3.010 648 HD2 PHE 84 HD2 PHE 84 9.246 -4.049 2.765 649 HE1 PHE 84 HE1 PHE 84 8.629 -8.534 4.716 650 HE2 PHE 84 HE2 PHE 84 7.525 -4.430 4.458 651 HZ PHE 84 HZ PHE 84 7.210 -6.659 5.439 652 H GLN 85 H GLN 85 13.516 -7.163 0.513 653 HA GLN 85 HA GLN 85 14.596 -4.844 -0.964 654 HB2 GLN 85 1HB GLN 85 16.765 -6.090 -1.289 655 HB3 GLN 85 2HB GLN 85 16.486 -5.557 0.361 656 HG2 GLN 85 1HG GLN 85 15.922 -7.798 1.071 657 HG3 GLN 85 2HG GLN 85 15.940 -8.390 -0.588 658 HE21 GLN 85 2HE2 GLN 85 18.390 -6.970 -1.333 659 HE22 GLN 85 1HE2 GLN 85 19.679 -7.793 -0.536 660 H THR 86 H THR 86 12.527 -5.471 -2.123 661 HA THR 86 HA THR 86 12.317 -6.338 -4.409 662 HB THR 86 HB THR 86 13.498 -8.555 -3.990 663 HG1 THR 86 HG1 THR 86 12.393 -8.558 -5.825 664 HG21 THR 86 3HG2 THR 86 12.429 -9.189 -1.844 665 HG22 THR 86 1HG2 THR 86 12.235 -10.436 -3.075 666 HG23 THR 86 2HG2 THR 86 10.887 -9.369 -2.686 667 H LEU 87 H LEU 87 10.200 -6.058 -4.964 668 HA LEU 87 HA LEU 87 8.207 -5.441 -3.129 669 HB2 LEU 87 1HB LEU 87 7.916 -6.299 -6.031 670 HB3 LEU 87 2HB LEU 87 6.661 -5.499 -5.093 671 HG LEU 87 HG LEU 87 9.362 -4.258 -5.785 672 HD11 LEU 87 1HD1 LEU 87 7.977 -4.552 -7.789 673 HD12 LEU 87 2HD1 LEU 87 8.165 -2.852 -7.368 674 HD13 LEU 87 3HD1 LEU 87 6.649 -3.684 -7.010 675 HD21 LEU 87 3HD2 LEU 87 8.396 -2.146 -4.953 676 HD22 LEU 87 1HD2 LEU 87 8.459 -3.364 -3.678 677 HD23 LEU 87 2HD2 LEU 87 6.924 -2.996 -4.472 678 H GLY 88 H GLY 88 8.985 -8.526 -4.640 679 HA2 GLY 88 1HA GLY 88 6.834 -10.134 -4.132 680 HA3 GLY 88 2HA GLY 88 8.499 -10.681 -4.017 681 H GLU 89 H GLU 89 9.389 -9.339 -1.756 682 HA GLU 89 HA GLU 89 8.216 -10.945 0.332 683 HB2 GLU 89 1HB GLU 89 10.467 -8.896 0.398 684 HB3 GLU 89 2HB GLU 89 9.970 -9.844 1.798 685 HG2 GLU 89 1HG GLU 89 11.130 -10.909 -0.793 686 HG3 GLU 89 2HG GLU 89 11.947 -10.820 0.765 687 H LEU 90 H LEU 90 7.965 -7.579 -0.685 688 HA LEU 90 HA LEU 90 7.007 -6.462 1.731 689 HB2 LEU 90 1HB LEU 90 8.061 -5.279 -0.277 690 HB3 LEU 90 2HB LEU 90 6.558 -5.513 -1.142 691 HG LEU 90 HG LEU 90 6.747 -3.879 1.432 692 HD11 LEU 90 1HD1 LEU 90 6.931 -2.840 -1.421 693 HD12 LEU 90 2HD1 LEU 90 8.242 -2.873 -0.238 694 HD13 LEU 90 3HD1 LEU 90 6.833 -1.854 0.042 695 HD21 LEU 90 3HD2 LEU 90 4.607 -3.904 -0.741 696 HD22 LEU 90 1HD2 LEU 90 4.633 -2.833 0.667 697 HD23 LEU 90 2HD2 LEU 90 4.445 -4.571 0.885 698 H ILE 91 H ILE 91 5.286 -7.109 -1.321 699 HA ILE 91 HA ILE 91 2.668 -7.001 -0.377 700 HB ILE 91 HB ILE 91 3.680 -8.654 -2.738 701 HG12 ILE 91 1HG1 ILE 91 4.512 -6.333 -2.916 702 HG13 ILE 91 2HG1 ILE 91 3.299 -6.647 -4.145 703 HG21 ILE 91 1HG2 ILE 91 0.921 -7.458 -2.242 704 HG22 ILE 91 2HG2 ILE 91 1.342 -9.173 -2.197 705 HG23 ILE 91 3HG2 ILE 91 1.430 -8.283 -3.717 706 HD11 ILE 91 3HD1 ILE 91 3.067 -4.430 -3.234 707 HD12 ILE 91 1HD1 ILE 91 2.889 -5.076 -1.601 708 HD13 ILE 91 2HD1 ILE 91 1.652 -5.399 -2.824 709 H GLY 92 H GLY 92 4.890 -9.722 -0.656 710 HA2 GLY 92 1HA GLY 92 3.245 -11.897 -0.108 711 HA3 GLY 92 2HA GLY 92 4.956 -11.809 0.277 712 H LEU 93 H LEU 93 5.067 -9.888 2.239 713 HA LEU 93 HA LEU 93 4.078 -11.362 4.513 714 HB2 LEU 93 1HB LEU 93 6.336 -10.288 4.477 715 HB3 LEU 93 2HB LEU 93 5.568 -8.708 4.471 716 HG LEU 93 HG LEU 93 4.574 -9.181 6.711 717 HD11 LEU 93 1HD1 LEU 93 6.139 -11.777 6.626 718 HD12 LEU 93 2HD1 LEU 93 4.380 -11.607 6.586 719 HD13 LEU 93 3HD1 LEU 93 5.275 -11.129 8.025 720 HD21 LEU 93 3HD2 LEU 93 7.585 -9.546 6.679 721 HD22 LEU 93 1HD2 LEU 93 6.615 -9.013 8.055 722 HD23 LEU 93 2HD2 LEU 93 6.729 -8.006 6.613 723 H TYR 94 H TYR 94 3.282 -8.188 3.001 724 HA TYR 94 HA TYR 94 1.528 -7.426 5.167 725 HB2 TYR 94 1HB TYR 94 2.498 -6.126 2.620 726 HB3 TYR 94 2HB TYR 94 1.094 -5.462 3.437 727 HD1 TYR 94 HD1 TYR 94 1.379 -4.875 5.982 728 HD2 TYR 94 HD2 TYR 94 4.672 -5.402 3.313 729 HE1 TYR 94 HE1 TYR 94 2.808 -3.561 7.489 730 HE2 TYR 94 HE2 TYR 94 6.089 -4.089 4.825 731 HH TYR 94 HH TYR 94 5.832 -2.351 6.584 732 H ALA 95 H ALA 95 1.086 -9.449 2.482 733 HA ALA 95 HA ALA 95 -1.725 -9.062 2.078 734 HB1 ALA 95 3HB ALA 95 -0.324 -10.357 0.507 735 HB2 ALA 95 1HB ALA 95 -1.676 -11.324 1.098 736 HB3 ALA 95 2HB ALA 95 -0.052 -11.581 1.747 737 H GLN 96 H GLN 96 0.034 -10.011 4.737 738 HA GLN 96 HA GLN 96 -2.181 -11.453 6.076 739 HB2 GLN 96 1HB GLN 96 0.255 -12.435 5.878 740 HB3 GLN 96 2HB GLN 96 0.707 -11.209 7.053 741 HG2 GLN 96 1HG GLN 96 -1.381 -13.355 7.542 742 HG3 GLN 96 2HG GLN 96 0.319 -13.515 7.975 743 HE21 GLN 96 2HE2 GLN 96 1.175 -12.094 9.608 744 HE22 GLN 96 1HE2 GLN 96 0.126 -11.429 10.813 745 HA PRO 97 HA PRO 97 -2.763 -7.213 7.618 746 HB2 PRO 97 1HB PRO 97 -4.952 -7.580 9.197 747 HB3 PRO 97 2HB PRO 97 -5.038 -7.713 7.433 748 HG2 PRO 97 1HG PRO 97 -4.753 -9.931 9.478 749 HG3 PRO 97 2HG PRO 97 -5.898 -9.813 8.119 750 HD2 PRO 97 1HD PRO 97 -3.605 -11.252 7.919 751 HD3 PRO 97 2HD PRO 97 -4.268 -10.365 6.528 752 H ASN 98 H ASN 98 -3.703 -6.424 10.082 753 HA ASN 98 HA ASN 98 -2.916 -5.572 12.019 754 HB2 ASN 98 1HB ASN 98 -2.204 -8.503 12.478 755 HB3 ASN 98 2HB ASN 98 -2.182 -7.282 13.745 756 HD21 ASN 98 2HD2 ASN 98 -3.734 -8.578 14.878 757 HD22 ASN 98 1HD2 ASN 98 -5.402 -8.551 14.431 758 H GLN 99 H GLN 99 -1.218 -5.024 10.026 759 HA GLN 99 HA GLN 99 1.480 -5.088 11.284 760 HB2 GLN 99 1HB GLN 99 0.892 -5.588 8.336 761 HB3 GLN 99 2HB GLN 99 2.502 -5.288 8.979 762 HG2 GLN 99 1HG GLN 99 2.260 -7.344 10.398 763 HG3 GLN 99 2HG GLN 99 0.718 -7.662 9.607 764 HE21 GLN 99 2HE2 GLN 99 1.444 -9.646 8.770 765 HE22 GLN 99 1HE2 GLN 99 2.584 -9.744 7.476 766 H GLY 100 H GLY 100 -0.906 -3.060 10.606 767 HA2 GLY 100 1HA GLY 100 -0.382 -0.667 10.960 768 HA3 GLY 100 2HA GLY 100 0.854 -0.827 9.721 769 H LEU 101 H LEU 101 -1.121 -2.688 8.362 770 HA LEU 101 HA LEU 101 -2.270 -0.710 6.589 771 HB2 LEU 101 1HB LEU 101 -2.509 -3.737 6.534 772 HB3 LEU 101 2HB LEU 101 -3.047 -2.647 5.264 773 HG LEU 101 HG LEU 101 -0.171 -3.194 6.101 774 HD11 LEU 101 1HD1 LEU 101 -1.674 -3.753 3.529 775 HD12 LEU 101 2HD1 LEU 101 -1.135 -4.937 4.725 776 HD13 LEU 101 3HD1 LEU 101 0.052 -4.028 3.795 777 HD21 LEU 101 3HD2 LEU 101 0.532 -1.650 4.313 778 HD22 LEU 101 1HD2 LEU 101 -0.371 -0.805 5.570 779 HD23 LEU 101 2HD2 LEU 101 -1.151 -1.188 4.032 780 H VAL 102 H VAL 102 -4.274 -0.008 6.505 781 HA VAL 102 HA VAL 102 -6.362 -0.540 8.320 782 HB VAL 102 HB VAL 102 -7.900 0.631 6.712 783 HG11 VAL 102 1HG1 VAL 102 -5.221 2.020 7.107 784 HG12 VAL 102 2HG1 VAL 102 -6.531 1.939 8.290 785 HG13 VAL 102 3HG1 VAL 102 -6.762 2.819 6.778 786 HG21 VAL 102 3HG2 VAL 102 -7.016 1.556 4.580 787 HG22 VAL 102 1HG2 VAL 102 -6.980 -0.212 4.573 788 HG23 VAL 102 2HG2 VAL 102 -5.490 0.701 4.838 789 H CYS 103 H CYS 103 -5.549 -2.051 5.270 790 HA CYS 103 HA CYS 103 -7.245 -4.359 5.885 791 HB2 CYS 103 1HB CYS 103 -8.598 -3.003 4.304 792 HB3 CYS 103 2HB CYS 103 -7.253 -2.963 3.166 793 HG CYS 103 HG CYS 103 -7.300 -5.886 3.046 794 H ALA 104 H ALA 104 -6.436 -6.289 4.993 795 HA ALA 104 HA ALA 104 -3.633 -6.456 4.428 796 HB1 ALA 104 3HB ALA 104 -5.808 -8.547 4.002 797 HB2 ALA 104 1HB ALA 104 -4.860 -8.327 5.478 798 HB3 ALA 104 2HB ALA 104 -4.066 -8.846 3.991 799 H LEU 105 H LEU 105 -2.667 -7.120 2.383 800 HA LEU 105 HA LEU 105 -3.694 -5.652 0.158 801 HB2 LEU 105 1HB LEU 105 -1.402 -7.650 0.245 802 HB3 LEU 105 2HB LEU 105 -1.708 -6.492 -1.043 803 HG LEU 105 HG LEU 105 -0.865 -5.853 1.813 804 HD11 LEU 105 1HD1 LEU 105 0.966 -6.635 0.444 805 HD12 LEU 105 2HD1 LEU 105 1.153 -4.916 0.791 806 HD13 LEU 105 3HD1 LEU 105 0.591 -5.439 -0.802 807 HD21 LEU 105 3HD2 LEU 105 -2.458 -4.138 1.095 808 HD22 LEU 105 1HD2 LEU 105 -1.526 -3.860 -0.377 809 HD23 LEU 105 2HD2 LEU 105 -0.832 -3.475 1.200 810 H LEU 106 H LEU 106 -5.627 -6.416 -0.572 811 HA LEU 106 HA LEU 106 -6.018 -9.268 -1.214 812 HB2 LEU 106 1HB LEU 106 -8.023 -6.978 -1.005 813 HB3 LEU 106 2HB LEU 106 -8.440 -8.653 -1.341 814 HG LEU 106 HG LEU 106 -7.182 -7.666 1.257 815 HD11 LEU 106 1HD1 LEU 106 -9.392 -8.057 2.280 816 HD12 LEU 106 2HD1 LEU 106 -10.067 -8.399 0.685 817 HD13 LEU 106 3HD1 LEU 106 -9.439 -6.794 1.052 818 HD21 LEU 106 3HD2 LEU 106 -6.604 -10.004 0.786 819 HD22 LEU 106 1HD2 LEU 106 -8.310 -10.401 0.558 820 HD23 LEU 106 2HD2 LEU 106 -7.717 -9.901 2.145 821 H LEU 107 H LEU 107 -6.879 -6.085 -2.690 822 HA LEU 107 HA LEU 107 -7.207 -7.473 -5.292 823 HB2 LEU 107 1HB LEU 107 -9.158 -6.226 -3.926 824 HB3 LEU 107 2HB LEU 107 -8.497 -4.805 -4.708 825 HG LEU 107 HG LEU 107 -9.549 -7.257 -6.185 826 HD11 LEU 107 1HD1 LEU 107 -11.504 -5.896 -6.765 827 HD12 LEU 107 2HD1 LEU 107 -10.910 -4.596 -5.727 828 HD13 LEU 107 3HD1 LEU 107 -11.366 -6.149 -5.027 829 HD21 LEU 107 3HD2 LEU 107 -8.794 -4.543 -7.310 830 HD22 LEU 107 1HD2 LEU 107 -9.496 -5.888 -8.214 831 HD23 LEU 107 2HD2 LEU 107 -7.884 -6.038 -7.522 832 HA PRO 108 HA PRO 108 -3.449 -5.077 -6.326 833 HB2 PRO 108 1HB PRO 108 -3.997 -6.107 -9.097 834 HB3 PRO 108 2HB PRO 108 -2.531 -6.242 -8.118 835 HG2 PRO 108 1HG PRO 108 -4.117 -8.358 -8.472 836 HG3 PRO 108 2HG PRO 108 -3.354 -8.062 -6.894 837 HD2 PRO 108 1HD PRO 108 -6.196 -7.490 -7.762 838 HD3 PRO 108 2HD PRO 108 -5.604 -8.210 -6.246 839 H VAL 109 H VAL 109 -6.356 -4.995 -8.334 840 HA VAL 109 HA VAL 109 -7.522 -3.430 -9.391 841 HB VAL 109 HB VAL 109 -5.880 -1.344 -7.880 842 HG11 VAL 109 1HG1 VAL 109 -8.632 -1.120 -9.144 843 HG12 VAL 109 2HG1 VAL 109 -7.145 -0.402 -9.771 844 HG13 VAL 109 3HG1 VAL 109 -7.804 0.144 -8.229 845 HG21 VAL 109 3HG2 VAL 109 -8.507 -2.650 -7.060 846 HG22 VAL 109 1HG2 VAL 109 -7.711 -1.322 -6.211 847 HG23 VAL 109 2HG2 VAL 109 -6.938 -2.906 -6.292 Start of MODEL 9 1 H1 MET 1 1H MET 1 -1.292 1.618 -42.892 2 H2 MET 1 2H MET 1 -1.552 0.213 -43.800 3 H3 MET 1 3H MET 1 -0.597 1.463 -44.424 4 HA MET 1 HA MET 1 0.733 -0.395 -43.654 5 HB2 MET 1 1HB MET 1 2.328 0.903 -42.307 6 HB3 MET 1 2HB MET 1 1.676 1.907 -43.593 7 HG2 MET 1 1HG MET 1 0.799 1.990 -40.692 8 HG3 MET 1 2HG MET 1 1.900 3.129 -41.459 9 HE1 MET 1 3HE MET 1 -0.481 5.017 -43.944 10 HE2 MET 1 1HE MET 1 0.536 3.627 -44.308 11 HE3 MET 1 2HE MET 1 1.150 4.927 -43.278 12 H GLY 2 H GLY 2 1.830 -1.075 -41.418 13 HA2 GLY 2 1HA GLY 2 -0.342 -1.821 -39.512 14 HA3 GLY 2 2HA GLY 2 0.992 -2.875 -39.966 15 H HIS 3 H HIS 3 0.272 0.243 -38.451 16 HA HIS 3 HA HIS 3 2.685 0.005 -36.737 17 HB2 HIS 3 1HB HIS 3 1.087 2.441 -37.630 18 HB3 HIS 3 2HB HIS 3 2.248 2.519 -36.312 19 HD1 HIS 3 HD1 HIS 3 2.445 4.093 -39.056 20 HD2 HIS 3 HD2 HIS 3 4.546 0.663 -38.009 21 HE1 HIS 3 HE1 HIS 3 4.542 4.144 -40.439 22 HE2 HIS 3 HE2 HIS 3 5.887 2.178 -39.621 23 H HIS 4 H HIS 4 2.510 0.262 -34.546 24 HA HIS 4 HA HIS 4 0.099 1.107 -33.252 25 HB2 HIS 4 1HB HIS 4 -0.096 -1.024 -31.821 26 HB3 HIS 4 2HB HIS 4 -0.687 -1.137 -33.463 27 HD1 HIS 4 HD1 HIS 4 0.856 -2.482 -35.164 28 HD2 HIS 4 HD2 HIS 4 1.783 -2.930 -31.136 29 HE1 HIS 4 HE1 HIS 4 2.319 -4.518 -35.031 30 HE2 HIS 4 HE2 HIS 4 2.982 -4.679 -32.610 31 H HIS 5 H HIS 5 2.890 -0.895 -32.229 32 HA HIS 5 HA HIS 5 4.238 -0.783 -30.416 33 HB2 HIS 5 1HB HIS 5 5.553 0.218 -32.187 34 HB3 HIS 5 2HB HIS 5 4.848 1.803 -31.889 35 HD1 HIS 5 HD1 HIS 5 6.572 -0.685 -29.540 36 HD2 HIS 5 HD2 HIS 5 6.817 3.275 -30.770 37 HE1 HIS 5 HE1 HIS 5 8.366 0.355 -28.113 38 HE2 HIS 5 HE2 HIS 5 8.523 2.736 -28.911 39 H HIS 6 H HIS 6 2.582 -0.693 -28.779 40 HA HIS 6 HA HIS 6 2.846 1.729 -27.098 41 HB2 HIS 6 1HB HIS 6 0.219 0.243 -27.603 42 HB3 HIS 6 2HB HIS 6 0.452 1.470 -26.366 43 HD1 HIS 6 HD1 HIS 6 -0.804 1.090 -29.662 44 HD2 HIS 6 HD2 HIS 6 1.263 4.090 -27.669 45 HE1 HIS 6 HE1 HIS 6 -1.245 3.185 -30.970 46 HE2 HIS 6 HE2 HIS 6 -0.195 5.012 -29.592 47 H HIS 7 H HIS 7 2.968 1.304 -24.915 48 HA HIS 7 HA HIS 7 2.996 -1.522 -23.998 49 HB2 HIS 7 1HB HIS 7 4.256 0.952 -22.712 50 HB3 HIS 7 2HB HIS 7 4.347 -0.684 -22.073 51 HD1 HIS 7 HD1 HIS 7 6.155 1.653 -24.130 52 HD2 HIS 7 HD2 HIS 7 5.826 -2.483 -23.915 53 HE1 HIS 7 HE1 HIS 7 8.123 0.756 -25.414 54 HE2 HIS 7 HE2 HIS 7 7.998 -1.742 -25.108 55 H HIS 8 H HIS 8 0.628 -1.072 -24.325 56 HA HIS 8 HA HIS 8 -0.687 0.540 -22.250 57 HB2 HIS 8 1HB HIS 8 -2.744 0.234 -23.542 58 HB3 HIS 8 2HB HIS 8 -1.461 0.753 -24.623 59 HD1 HIS 8 HD1 HIS 8 -3.943 -1.902 -24.113 60 HD2 HIS 8 HD2 HIS 8 -0.490 -1.390 -26.369 61 HE1 HIS 8 HE1 HIS 8 -4.019 -3.689 -25.873 62 HE2 HIS 8 HE2 HIS 8 -1.860 -3.445 -27.138 63 H SER 9 H SER 9 -2.023 -0.324 -20.699 64 HA SER 9 HA SER 9 -2.969 -1.720 -19.236 65 HB2 SER 9 1HB SER 9 -4.104 -2.807 -21.124 66 HB3 SER 9 2HB SER 9 -2.706 -3.847 -21.401 67 HG SER 9 HG SER 9 -3.310 -5.072 -19.796 68 H HIS 10 H HIS 10 -1.945 -2.276 -17.429 69 HA HIS 10 HA HIS 10 0.142 -4.373 -17.445 70 HB2 HIS 10 1HB HIS 10 0.342 -1.739 -15.890 71 HB3 HIS 10 2HB HIS 10 1.421 -3.111 -15.683 72 HD1 HIS 10 HD1 HIS 10 0.995 -0.056 -17.582 73 HD2 HIS 10 HD2 HIS 10 3.021 -3.644 -18.109 74 HE1 HIS 10 HE1 HIS 10 2.686 0.397 -19.376 75 HE2 HIS 10 HE2 HIS 10 3.745 -1.850 -19.823 76 H MET 11 H MET 11 -1.146 -5.938 -16.527 77 HA MET 11 HA MET 11 -2.869 -5.481 -14.265 78 HB2 MET 11 1HB MET 11 -3.333 -7.341 -15.853 79 HB3 MET 11 2HB MET 11 -1.812 -8.112 -15.413 80 HG2 MET 11 1HG MET 11 -2.660 -8.371 -13.085 81 HG3 MET 11 2HG MET 11 -4.197 -7.670 -13.599 82 HE1 MET 11 3HE MET 11 -4.943 -11.535 -13.044 83 HE2 MET 11 1HE MET 11 -5.379 -9.895 -12.558 84 HE3 MET 11 2HE MET 11 -3.788 -10.544 -12.148 85 H SER 12 H SER 12 -1.715 -4.599 -12.630 86 HA SER 12 HA SER 12 -0.205 -6.259 -10.889 87 HB2 SER 12 1HB SER 12 1.637 -5.740 -12.519 88 HB3 SER 12 2HB SER 12 1.376 -4.018 -12.267 89 HG SER 12 HG SER 12 2.958 -5.588 -10.900 90 H TRP 13 H TRP 13 0.372 -5.113 -8.913 91 HA TRP 13 HA TRP 13 -1.310 -2.866 -8.206 92 HB2 TRP 13 1HB TRP 13 0.365 -3.021 -6.061 93 HB3 TRP 13 2HB TRP 13 -1.011 -4.092 -6.266 94 HD1 TRP 13 HD1 TRP 13 -0.541 -6.641 -6.446 95 HE1 TRP 13 HE1 TRP 13 1.564 -8.104 -6.411 96 HE3 TRP 13 HE3 TRP 13 3.013 -2.979 -6.788 97 HZ2 TRP 13 HZ2 TRP 13 4.359 -7.775 -6.548 98 HZ3 TRP 13 HZ3 TRP 13 5.381 -3.640 -6.837 99 HH2 TRP 13 HH2 TRP 13 6.041 -5.990 -6.716 100 H TYR 14 H TYR 14 1.822 -3.284 -9.576 101 HA TYR 14 HA TYR 14 2.963 -0.816 -8.537 102 HB2 TYR 14 1HB TYR 14 4.527 -2.665 -8.910 103 HB3 TYR 14 2HB TYR 14 4.090 -2.740 -10.619 104 HD1 TYR 14 HD2 TYR 14 5.440 -0.283 -8.075 105 HD2 TYR 14 HD1 TYR 14 5.417 -1.514 -12.176 106 HE1 TYR 14 HE2 TYR 14 7.130 1.428 -8.607 107 HE2 TYR 14 HE1 TYR 14 7.090 0.204 -12.695 108 HH TYR 14 HH TYR 14 8.825 1.902 -10.296 109 H HIS 15 H HIS 15 2.524 1.066 -9.365 110 HA HIS 15 HA HIS 15 2.257 1.492 -12.266 111 HB2 HIS 15 1HB HIS 15 0.441 2.812 -10.172 112 HB3 HIS 15 2HB HIS 15 0.378 3.072 -11.910 113 HD1 HIS 15 HD1 HIS 15 -0.277 0.771 -13.303 114 HD2 HIS 15 HD2 HIS 15 -1.337 0.942 -9.288 115 HE1 HIS 15 HE1 HIS 15 -2.062 -0.978 -13.008 116 HE2 HIS 15 HE2 HIS 15 -2.835 -0.696 -10.617 117 H ARG 16 H ARG 16 3.685 3.131 -12.857 118 HA ARG 16 HA ARG 16 5.144 4.748 -11.022 119 HB2 ARG 16 1HB ARG 16 4.481 5.349 -13.944 120 HB3 ARG 16 2HB ARG 16 5.749 6.125 -12.994 121 HG2 ARG 16 1HG ARG 16 6.966 3.974 -12.842 122 HG3 ARG 16 2HG ARG 16 5.676 3.178 -13.761 123 HD2 ARG 16 1HD ARG 16 7.574 5.347 -14.730 124 HD3 ARG 16 2HD ARG 16 7.489 3.671 -15.279 125 HE ARG 16 HE ARG 16 5.033 4.510 -15.899 126 HH11 ARG 16 1HH1 ARG 16 8.138 6.021 -16.544 127 HH12 ARG 16 2HH1 ARG 16 7.560 6.904 -17.919 128 HH21 ARG 16 1HH2 ARG 16 4.278 5.667 -17.701 129 HH22 ARG 16 2HH2 ARG 16 5.370 6.688 -18.585 130 H ASP 17 H ASP 17 4.721 6.949 -10.296 131 HA ASP 17 HA ASP 17 2.569 7.400 -9.020 132 HB2 ASP 17 1HB ASP 17 4.589 8.852 -9.055 133 HB3 ASP 17 2HB ASP 17 3.945 9.678 -10.469 134 H LEU 18 H LEU 18 0.817 6.505 -10.295 135 HA LEU 18 HA LEU 18 -0.754 8.114 -11.971 136 HB2 LEU 18 1HB LEU 18 -2.550 6.612 -11.531 137 HB3 LEU 18 2HB LEU 18 -1.087 5.668 -11.511 138 HG LEU 18 HG LEU 18 -1.283 6.051 -8.849 139 HD11 LEU 18 1HD1 LEU 18 -3.248 7.486 -8.928 140 HD12 LEU 18 2HD1 LEU 18 -3.607 5.978 -8.091 141 HD13 LEU 18 3HD1 LEU 18 -4.168 6.220 -9.748 142 HD21 LEU 18 3HD2 LEU 18 -2.469 3.907 -8.638 143 HD22 LEU 18 1HD2 LEU 18 -1.231 3.841 -9.890 144 HD23 LEU 18 2HD2 LEU 18 -2.930 3.986 -10.342 145 H SER 19 H SER 19 -0.039 8.352 -8.624 146 HA SER 19 HA SER 19 0.099 10.341 -7.477 147 HB2 SER 19 1HB SER 19 -0.840 11.792 -9.252 148 HB3 SER 19 2HB SER 19 -2.471 11.282 -8.815 149 HG SER 19 HG SER 19 -1.647 13.321 -7.861 150 H ARG 20 H ARG 20 -0.599 10.585 -5.350 151 HA ARG 20 HA ARG 20 -2.018 8.434 -4.243 152 HB2 ARG 20 1HB ARG 20 -0.191 9.690 -3.121 153 HB3 ARG 20 2HB ARG 20 -1.254 11.073 -2.920 154 HG2 ARG 20 1HG ARG 20 -2.005 8.392 -1.728 155 HG3 ARG 20 2HG ARG 20 -0.817 9.415 -0.919 156 HD2 ARG 20 1HD ARG 20 -3.719 10.128 -1.527 157 HD3 ARG 20 2HD ARG 20 -3.017 9.792 0.058 158 HE ARG 20 HE ARG 20 -1.543 11.826 -0.474 159 HH11 ARG 20 1HH1 ARG 20 -4.911 11.597 -1.461 160 HH12 ARG 20 2HH1 ARG 20 -5.139 13.316 -1.440 161 HH21 ARG 20 1HH2 ARG 20 -1.893 14.058 -0.445 162 HH22 ARG 20 2HH2 ARG 20 -3.444 14.696 -0.882 163 H ALA 21 H ALA 21 -3.024 11.842 -4.567 164 HA ALA 21 HA ALA 21 -5.609 11.744 -3.596 165 HB1 ALA 21 3HB ALA 21 -4.651 13.290 -6.035 166 HB2 ALA 21 1HB ALA 21 -4.506 13.817 -4.356 167 HB3 ALA 21 2HB ALA 21 -6.101 13.647 -5.092 168 H ALA 22 H ALA 22 -4.533 11.025 -6.913 169 HA ALA 22 HA ALA 22 -7.064 10.179 -7.931 170 HB1 ALA 22 3HB ALA 22 -5.788 9.431 -9.901 171 HB2 ALA 22 1HB ALA 22 -4.275 9.634 -9.008 172 HB3 ALA 22 2HB ALA 22 -5.271 11.039 -9.389 173 H ALA 23 H ALA 23 -4.521 8.539 -6.166 174 HA ALA 23 HA ALA 23 -5.130 5.845 -6.803 175 HB1 ALA 23 3HB ALA 23 -2.975 6.484 -5.784 176 HB2 ALA 23 1HB ALA 23 -3.796 5.261 -4.815 177 HB3 ALA 23 2HB ALA 23 -3.802 6.948 -4.296 178 H GLU 24 H GLU 24 -5.833 7.675 -3.788 179 HA GLU 24 HA GLU 24 -7.640 6.000 -2.553 180 HB2 GLU 24 1HB GLU 24 -7.764 9.043 -2.606 181 HB3 GLU 24 2HB GLU 24 -8.498 7.999 -1.388 182 HG2 GLU 24 1HG GLU 24 -6.248 7.257 -0.694 183 HG3 GLU 24 2HG GLU 24 -5.525 8.339 -1.888 184 H GLU 25 H GLU 25 -8.208 8.336 -5.099 185 HA GLU 25 HA GLU 25 -11.088 8.245 -5.070 186 HB2 GLU 25 1HB GLU 25 -9.711 10.175 -5.977 187 HB3 GLU 25 2HB GLU 25 -9.259 9.158 -7.339 188 HG2 GLU 25 1HG GLU 25 -11.597 9.015 -8.054 189 HG3 GLU 25 2HG GLU 25 -12.104 9.954 -6.653 190 H LEU 26 H LEU 26 -8.560 6.772 -7.093 191 HA LEU 26 HA LEU 26 -10.128 5.328 -8.911 192 HB2 LEU 26 1HB LEU 26 -7.710 5.705 -9.204 193 HB3 LEU 26 2HB LEU 26 -7.360 4.697 -7.815 194 HG LEU 26 HG LEU 26 -8.105 2.693 -9.023 195 HD11 LEU 26 1HD1 LEU 26 -8.748 4.536 -11.338 196 HD12 LEU 26 2HD1 LEU 26 -9.896 3.626 -10.353 197 HD13 LEU 26 3HD1 LEU 26 -8.759 2.771 -11.386 198 HD21 LEU 26 3HD2 LEU 26 -6.143 4.328 -10.679 199 HD22 LEU 26 1HD2 LEU 26 -6.323 2.572 -10.709 200 HD23 LEU 26 2HD2 LEU 26 -5.752 3.370 -9.249 201 H LEU 27 H LEU 27 -8.842 4.391 -5.741 202 HA LEU 27 HA LEU 27 -9.740 1.708 -5.725 203 HB2 LEU 27 1HB LEU 27 -9.119 3.571 -3.391 204 HB3 LEU 27 2HB LEU 27 -9.335 1.833 -3.255 205 HG LEU 27 HG LEU 27 -7.078 3.239 -4.733 206 HD11 LEU 27 1HD1 LEU 27 -7.022 1.712 -2.114 207 HD12 LEU 27 2HD1 LEU 27 -6.844 3.458 -2.323 208 HD13 LEU 27 3HD1 LEU 27 -5.617 2.370 -2.965 209 HD21 LEU 27 3HD2 LEU 27 -6.074 1.011 -5.022 210 HD22 LEU 27 1HD2 LEU 27 -7.621 1.143 -5.855 211 HD23 LEU 27 2HD2 LEU 27 -7.516 0.265 -4.326 212 H ALA 28 H ALA 28 -11.071 4.741 -4.385 213 HA ALA 28 HA ALA 28 -13.310 3.701 -3.027 214 HB1 ALA 28 3HB ALA 28 -14.128 6.020 -2.940 215 HB2 ALA 28 1HB ALA 28 -12.961 6.488 -4.183 216 HB3 ALA 28 2HB ALA 28 -12.398 5.950 -2.601 217 H ARG 29 H ARG 29 -12.899 4.677 -6.347 218 HA ARG 29 HA ARG 29 -15.702 4.582 -7.052 219 HB2 ARG 29 1HB ARG 29 -13.979 6.165 -8.042 220 HB3 ARG 29 2HB ARG 29 -13.262 4.782 -8.862 221 HG2 ARG 29 1HG ARG 29 -15.392 4.434 -10.095 222 HG3 ARG 29 2HG ARG 29 -16.077 5.843 -9.277 223 HD2 ARG 29 1HD ARG 29 -14.171 7.200 -10.259 224 HD3 ARG 29 2HD ARG 29 -13.756 5.781 -11.227 225 HE ARG 29 HE ARG 29 -16.468 6.369 -11.629 226 HH11 ARG 29 1HH1 ARG 29 -13.331 7.780 -12.327 227 HH12 ARG 29 2HH1 ARG 29 -13.885 8.626 -13.737 228 HH21 ARG 29 1HH2 ARG 29 -17.210 7.507 -13.446 229 HH22 ARG 29 2HH2 ARG 29 -16.099 8.468 -14.370 230 H ALA 30 H ALA 30 -12.771 2.646 -7.725 231 HA ALA 30 HA ALA 30 -14.173 0.815 -9.466 232 HB1 ALA 30 3HB ALA 30 -11.316 0.727 -8.457 233 HB2 ALA 30 1HB ALA 30 -11.866 1.474 -9.958 234 HB3 ALA 30 2HB ALA 30 -11.987 -0.274 -9.747 235 H GLY 31 H GLY 31 -12.326 0.265 -6.341 236 HA2 GLY 31 1HA GLY 31 -13.642 -2.378 -6.149 237 HA3 GLY 31 2HA GLY 31 -12.084 -1.942 -5.490 238 H ARG 32 H ARG 32 -12.385 0.173 -4.052 239 HA ARG 32 HA ARG 32 -12.602 0.704 -1.858 240 HB2 ARG 32 1HB ARG 32 -14.482 1.787 -3.149 241 HB3 ARG 32 2HB ARG 32 -15.541 0.501 -2.588 242 HG2 ARG 32 1HG ARG 32 -15.198 1.258 -0.245 243 HG3 ARG 32 2HG ARG 32 -14.141 2.549 -0.826 244 HD2 ARG 32 1HD ARG 32 -16.403 3.391 -0.354 245 HD3 ARG 32 2HD ARG 32 -16.022 3.538 -2.075 246 HE ARG 32 HE ARG 32 -17.493 1.150 -1.221 247 HH11 ARG 32 1HH1 ARG 32 -17.671 4.301 -2.775 248 HH12 ARG 32 2HH1 ARG 32 -19.244 4.008 -3.445 249 HH21 ARG 32 1HH2 ARG 32 -19.531 0.775 -2.141 250 HH22 ARG 32 2HH2 ARG 32 -20.296 2.012 -3.081 251 H ASP 33 H ASP 33 -12.002 -1.998 -1.785 252 HA ASP 33 HA ASP 33 -13.172 -3.049 0.541 253 HB2 ASP 33 1HB ASP 33 -15.162 -3.443 -0.870 254 HB3 ASP 33 2HB ASP 33 -14.181 -4.262 -2.083 255 H GLY 34 H GLY 34 -10.851 -3.141 0.861 256 HA2 GLY 34 1HA GLY 34 -8.900 -4.340 1.096 257 HA3 GLY 34 2HA GLY 34 -9.628 -5.667 0.196 258 H SER 35 H SER 35 -9.570 -2.422 -1.042 259 HA SER 35 HA SER 35 -8.309 -3.367 -3.490 260 HB2 SER 35 1HB SER 35 -9.565 -0.662 -2.842 261 HB3 SER 35 2HB SER 35 -9.203 -1.311 -4.448 262 HG SER 35 HG SER 35 -10.681 -3.127 -3.393 263 H PHE 36 H PHE 36 -6.182 -3.028 -3.836 264 HA PHE 36 HA PHE 36 -4.824 -0.807 -2.470 265 HB2 PHE 36 1HB PHE 36 -2.996 -2.187 -1.748 266 HB3 PHE 36 2HB PHE 36 -4.472 -2.976 -1.203 267 HD1 PHE 36 HD2 PHE 36 -5.387 -4.933 -2.675 268 HD2 PHE 36 HD1 PHE 36 -1.398 -3.422 -3.016 269 HE1 PHE 36 HE2 PHE 36 -4.678 -7.010 -3.779 270 HE2 PHE 36 HE1 PHE 36 -0.711 -5.506 -4.120 271 HZ PHE 36 HZ PHE 36 -2.348 -7.297 -4.500 272 H LEU 37 H LEU 37 -2.894 -0.126 -3.430 273 HA LEU 37 HA LEU 37 -1.837 -1.358 -5.800 274 HB2 LEU 37 1HB LEU 37 -1.979 0.710 -7.223 275 HB3 LEU 37 2HB LEU 37 -3.523 -0.050 -6.912 276 HG LEU 37 HG LEU 37 -3.826 1.758 -5.055 277 HD11 LEU 37 1HD1 LEU 37 -1.566 2.659 -4.987 278 HD12 LEU 37 2HD1 LEU 37 -2.725 3.904 -5.437 279 HD13 LEU 37 3HD1 LEU 37 -1.694 3.177 -6.672 280 HD21 LEU 37 3HD2 LEU 37 -4.828 3.336 -6.628 281 HD22 LEU 37 1HD2 LEU 37 -5.178 1.673 -7.094 282 HD23 LEU 37 2HD2 LEU 37 -3.949 2.592 -7.968 283 H VAL 38 H VAL 38 0.128 -0.166 -6.498 284 HA VAL 38 HA VAL 38 1.558 1.184 -4.320 285 HB VAL 38 HB VAL 38 2.707 -0.865 -6.285 286 HG11 VAL 38 1HG1 VAL 38 4.126 0.722 -4.105 287 HG12 VAL 38 2HG1 VAL 38 4.359 0.907 -5.844 288 HG13 VAL 38 3HG1 VAL 38 4.853 -0.585 -5.043 289 HG21 VAL 38 3HG2 VAL 38 3.145 -2.256 -4.272 290 HG22 VAL 38 1HG2 VAL 38 1.420 -1.950 -4.492 291 HG23 VAL 38 2HG2 VAL 38 2.325 -1.055 -3.271 292 H ARG 39 H ARG 39 2.396 3.064 -4.926 293 HA ARG 39 HA ARG 39 2.608 3.812 -7.776 294 HB2 ARG 39 1HB ARG 39 1.961 6.170 -6.974 295 HB3 ARG 39 2HB ARG 39 0.661 4.987 -7.050 296 HG2 ARG 39 1HG ARG 39 0.596 4.731 -4.677 297 HG3 ARG 39 2HG ARG 39 2.140 5.566 -4.467 298 HD2 ARG 39 1HD ARG 39 -0.397 6.879 -5.502 299 HD3 ARG 39 2HD ARG 39 0.157 6.946 -3.823 300 HE ARG 39 HE ARG 39 1.392 8.267 -6.150 301 HH11 ARG 39 1HH1 ARG 39 1.450 7.721 -2.672 302 HH12 ARG 39 2HH1 ARG 39 2.633 8.954 -2.381 303 HH21 ARG 39 1HH2 ARG 39 2.942 9.858 -5.741 304 HH22 ARG 39 2HH2 ARG 39 3.450 10.178 -4.114 305 H ASP 40 H ASP 40 4.113 5.655 -8.095 306 HA ASP 40 HA ASP 40 6.521 5.409 -6.413 307 HB2 ASP 40 1HB ASP 40 6.884 5.173 -8.818 308 HB3 ASP 40 2HB ASP 40 6.040 6.682 -9.141 309 H SER 41 H SER 41 6.898 6.925 -4.880 310 HA SER 41 HA SER 41 5.229 9.327 -4.743 311 HB2 SER 41 1HB SER 41 7.078 8.081 -2.665 312 HB3 SER 41 2HB SER 41 6.005 9.460 -2.397 313 HG SER 41 HG SER 41 4.933 7.065 -3.395 314 H GLU 42 H GLU 42 6.300 10.654 -6.328 315 HA GLU 42 HA GLU 42 8.854 11.677 -6.097 316 HB2 GLU 42 1HB GLU 42 7.272 12.240 -7.927 317 HB3 GLU 42 2HB GLU 42 6.315 13.204 -6.810 318 HG2 GLU 42 1HG GLU 42 8.149 14.786 -6.527 319 HG3 GLU 42 2HG GLU 42 9.203 13.782 -7.524 320 H SER 43 H SER 43 9.607 11.899 -4.095 321 HA SER 43 HA SER 43 8.866 14.221 -2.498 322 HB2 SER 43 1HB SER 43 7.437 12.470 -1.496 323 HB3 SER 43 2HB SER 43 8.818 11.386 -1.335 324 HG SER 43 HG SER 43 8.564 13.918 -0.058 325 H VAL 44 H VAL 44 10.730 11.198 -2.323 326 HA VAL 44 HA VAL 44 13.258 12.712 -2.651 327 HB VAL 44 HB VAL 44 14.464 10.855 -1.437 328 HG11 VAL 44 1HG1 VAL 44 13.887 11.577 0.853 329 HG12 VAL 44 2HG1 VAL 44 12.382 12.285 0.265 330 HG13 VAL 44 3HG1 VAL 44 13.932 12.953 -0.251 331 HG21 VAL 44 3HG2 VAL 44 11.671 9.908 -0.669 332 HG22 VAL 44 1HG2 VAL 44 13.181 9.282 0.006 333 HG23 VAL 44 2HG2 VAL 44 12.814 9.051 -1.704 334 H ALA 45 H ALA 45 14.738 11.743 -3.987 335 HA ALA 45 HA ALA 45 14.880 11.143 -6.302 336 HB1 ALA 45 3HB ALA 45 16.330 9.172 -6.207 337 HB2 ALA 45 1HB ALA 45 15.717 8.786 -4.596 338 HB3 ALA 45 2HB ALA 45 16.651 10.260 -4.855 339 H GLY 46 H GLY 46 14.039 7.902 -5.106 340 HA2 GLY 46 1HA GLY 46 11.454 7.897 -6.489 341 HA3 GLY 46 2HA GLY 46 12.651 6.686 -6.943 342 H ALA 47 H ALA 47 10.892 7.977 -4.102 343 HA ALA 47 HA ALA 47 11.004 5.403 -2.719 344 HB1 ALA 47 3HB ALA 47 11.101 7.487 -1.407 345 HB2 ALA 47 1HB ALA 47 9.663 6.554 -0.983 346 HB3 ALA 47 2HB ALA 47 9.522 7.975 -2.026 347 H PHE 48 H PHE 48 8.908 4.350 -2.029 348 HA PHE 48 HA PHE 48 6.778 4.571 -4.099 349 HB2 PHE 48 1HB PHE 48 7.506 2.148 -2.391 350 HB3 PHE 48 2HB PHE 48 6.307 2.196 -3.679 351 HD1 PHE 48 HD2 PHE 48 7.034 2.365 -6.062 352 HD2 PHE 48 HD1 PHE 48 9.864 1.875 -2.890 353 HE1 PHE 48 HE2 PHE 48 8.752 1.695 -7.687 354 HE2 PHE 48 HE1 PHE 48 11.573 1.201 -4.524 355 HZ PHE 48 HZ PHE 48 11.020 1.115 -6.923 356 H ALA 49 H ALA 49 4.557 4.199 -3.360 357 HA ALA 49 HA ALA 49 4.063 4.073 -0.456 358 HB1 ALA 49 3HB ALA 49 2.494 5.770 -2.434 359 HB2 ALA 49 1HB ALA 49 3.636 6.383 -1.236 360 HB3 ALA 49 2HB ALA 49 2.147 5.596 -0.711 361 H LEU 50 H LEU 50 2.281 2.853 0.154 362 HA LEU 50 HA LEU 50 0.909 1.194 -1.891 363 HB2 LEU 50 1HB LEU 50 2.367 -0.242 -0.536 364 HB3 LEU 50 2HB LEU 50 1.783 0.492 0.947 365 HG LEU 50 HG LEU 50 -0.506 -0.488 0.463 366 HD11 LEU 50 1HD1 LEU 50 -0.320 -0.824 -1.944 367 HD12 LEU 50 2HD1 LEU 50 -0.749 -2.322 -1.121 368 HD13 LEU 50 3HD1 LEU 50 0.903 -2.074 -1.698 369 HD21 LEU 50 3HD2 LEU 50 0.015 -2.736 1.242 370 HD22 LEU 50 1HD2 LEU 50 0.991 -1.535 2.087 371 HD23 LEU 50 2HD2 LEU 50 1.712 -2.516 0.808 372 H CYS 51 H CYS 51 -1.176 1.845 -2.042 373 HA CYS 51 HA CYS 51 -2.538 3.170 0.224 374 HB2 CYS 51 1HB CYS 51 -3.307 3.084 -2.740 375 HB3 CYS 51 2HB CYS 51 -4.101 4.034 -1.487 376 HG CYS 51 HG CYS 51 -2.311 5.958 -1.276 377 H VAL 52 H VAL 52 -3.858 1.813 1.364 378 HA VAL 52 HA VAL 52 -5.189 -0.485 0.024 379 HB VAL 52 HB VAL 52 -4.350 -0.389 2.976 380 HG11 VAL 52 1HG1 VAL 52 -6.332 -1.807 2.582 381 HG12 VAL 52 2HG1 VAL 52 -4.944 -2.808 3.007 382 HG13 VAL 52 3HG1 VAL 52 -5.471 -2.704 1.326 383 HG21 VAL 52 3HG2 VAL 52 -2.321 -0.526 1.578 384 HG22 VAL 52 1HG2 VAL 52 -2.984 -1.920 0.719 385 HG23 VAL 52 2HG2 VAL 52 -2.587 -2.045 2.434 386 H LEU 53 H LEU 53 -7.396 -0.325 0.091 387 HA LEU 53 HA LEU 53 -8.676 1.551 1.984 388 HB2 LEU 53 1HB LEU 53 -8.767 2.538 -0.203 389 HB3 LEU 53 2HB LEU 53 -9.210 1.022 -0.955 390 HG LEU 53 HG LEU 53 -11.482 1.155 -0.011 391 HD11 LEU 53 1HD1 LEU 53 -12.344 3.121 1.148 392 HD12 LEU 53 2HD1 LEU 53 -10.721 3.812 1.218 393 HD13 LEU 53 3HD1 LEU 53 -11.085 2.333 2.093 394 HD21 LEU 53 3HD2 LEU 53 -11.111 2.169 -2.163 395 HD22 LEU 53 1HD2 LEU 53 -10.650 3.703 -1.407 396 HD23 LEU 53 2HD2 LEU 53 -12.303 3.098 -1.259 397 H TYR 54 H TYR 54 -10.539 0.941 2.874 398 HA TYR 54 HA TYR 54 -12.092 -1.328 2.051 399 HB2 TYR 54 1HB TYR 54 -10.239 -2.213 3.689 400 HB3 TYR 54 2HB TYR 54 -11.101 -1.333 4.950 401 HD1 TYR 54 HD1 TYR 54 -11.259 -4.168 2.590 402 HD2 TYR 54 HD2 TYR 54 -13.284 -2.155 5.760 403 HE1 TYR 54 HE1 TYR 54 -12.750 -6.087 2.844 404 HE2 TYR 54 HE2 TYR 54 -14.790 -4.090 6.022 405 HH TYR 54 HH TYR 54 -15.605 -6.031 4.573 406 H GLN 55 H GLN 55 -14.150 -0.614 2.261 407 HA GLN 55 HA GLN 55 -15.864 0.854 2.613 408 HB2 GLN 55 1HB GLN 55 -15.270 -0.248 5.381 409 HB3 GLN 55 2HB GLN 55 -16.775 0.569 4.960 410 HG2 GLN 55 1HG GLN 55 -15.725 -2.018 3.770 411 HG3 GLN 55 2HG GLN 55 -17.091 -1.841 4.873 412 HE21 GLN 55 2HE2 GLN 55 -19.041 -0.855 4.064 413 HE22 GLN 55 1HE2 GLN 55 -19.367 -0.792 2.368 414 H LYS 56 H LYS 56 -14.716 2.793 2.037 415 HA LYS 56 HA LYS 56 -14.096 4.947 2.195 416 HB2 LYS 56 1HB LYS 56 -16.571 4.914 2.837 417 HB3 LYS 56 2HB LYS 56 -16.059 5.114 4.509 418 HG2 LYS 56 1HG LYS 56 -14.979 7.264 3.924 419 HG3 LYS 56 2HG LYS 56 -15.466 7.046 2.239 420 HD2 LYS 56 1HD LYS 56 -17.852 7.148 2.929 421 HD3 LYS 56 2HD LYS 56 -17.352 7.380 4.610 422 HE2 LYS 56 1HE LYS 56 -16.238 9.498 3.978 423 HE3 LYS 56 2HE LYS 56 -16.724 9.258 2.297 424 HZ1 LYS 56 3HZ LYS 56 -19.015 9.416 2.962 425 HZ2 LYS 56 1HZ LYS 56 -18.179 10.789 3.474 426 HZ3 LYS 56 2HZ LYS 56 -18.580 9.583 4.586 427 H HIS 57 H HIS 57 -12.332 3.232 3.697 428 HA HIS 57 HA HIS 57 -10.938 5.487 4.896 429 HB2 HIS 57 1HB HIS 57 -10.039 4.129 6.846 430 HB3 HIS 57 2HB HIS 57 -11.707 4.645 6.971 431 HD1 HIS 57 HD1 HIS 57 -13.510 2.827 7.076 432 HD2 HIS 57 HD2 HIS 57 -9.652 1.324 6.704 433 HE1 HIS 57 HE1 HIS 57 -13.673 0.395 7.674 434 HE2 HIS 57 HE2 HIS 57 -11.315 -0.458 7.567 435 H VAL 58 H VAL 58 -9.444 5.686 3.414 436 HA VAL 58 HA VAL 58 -7.788 3.430 2.516 437 HB VAL 58 HB VAL 58 -7.375 6.376 1.779 438 HG11 VAL 58 1HG1 VAL 58 -6.180 5.453 -0.201 439 HG12 VAL 58 2HG1 VAL 58 -6.480 3.815 0.379 440 HG13 VAL 58 3HG1 VAL 58 -5.451 4.903 1.313 441 HG21 VAL 58 3HG2 VAL 58 -9.669 5.799 1.110 442 HG22 VAL 58 1HG2 VAL 58 -9.077 4.392 0.227 443 HG23 VAL 58 2HG2 VAL 58 -8.639 6.017 -0.307 444 H HIS 59 H HIS 59 -5.917 2.982 3.595 445 HA HIS 59 HA HIS 59 -4.463 5.200 4.910 446 HB2 HIS 59 1HB HIS 59 -5.287 3.220 6.396 447 HB3 HIS 59 2HB HIS 59 -4.055 2.259 5.593 448 HD1 HIS 59 HD1 HIS 59 -3.256 2.150 8.234 449 HD2 HIS 59 HD2 HIS 59 -2.645 5.728 6.225 450 HE1 HIS 59 HE1 HIS 59 -1.598 3.425 9.621 451 HE2 HIS 59 HE2 HIS 59 -1.097 5.485 8.273 452 H THR 60 H THR 60 -2.372 5.509 4.252 453 HA THR 60 HA THR 60 -1.383 3.890 1.997 454 HB THR 60 HB THR 60 -1.282 6.949 2.188 455 HG1 THR 60 HG1 THR 60 -3.333 6.364 1.580 456 HG21 THR 60 3HG2 THR 60 0.705 6.020 1.012 457 HG22 THR 60 1HG2 THR 60 -0.364 6.854 -0.119 458 HG23 THR 60 2HG2 THR 60 -0.351 5.090 -0.054 459 H TYR 61 H TYR 61 0.867 3.719 1.918 460 HA TYR 61 HA TYR 61 2.336 4.315 4.421 461 HB2 TYR 61 1HB TYR 61 2.350 1.588 3.020 462 HB3 TYR 61 2HB TYR 61 3.157 2.006 4.527 463 HD1 TYR 61 HD2 TYR 61 -0.092 1.202 2.969 464 HD2 TYR 61 HD1 TYR 61 1.884 2.154 6.645 465 HE1 TYR 61 HE2 TYR 61 -2.077 0.488 4.223 466 HE2 TYR 61 HE1 TYR 61 -0.104 1.434 7.893 467 HH TYR 61 HH TYR 61 -2.601 -0.339 6.505 468 H ARG 62 H ARG 62 3.724 5.786 3.502 469 HA ARG 62 HA ARG 62 4.878 5.371 0.894 470 HB2 ARG 62 1HB ARG 62 4.442 7.687 1.772 471 HB3 ARG 62 2HB ARG 62 5.706 7.444 2.976 472 HG2 ARG 62 1HG ARG 62 7.348 7.096 1.093 473 HG3 ARG 62 2HG ARG 62 6.055 7.480 -0.047 474 HD2 ARG 62 1HD ARG 62 7.442 9.438 0.301 475 HD3 ARG 62 2HD ARG 62 5.845 9.728 0.996 476 HE ARG 62 HE ARG 62 7.563 8.707 2.991 477 HH11 ARG 62 1HH1 ARG 62 7.019 11.666 1.172 478 HH12 ARG 62 2HH1 ARG 62 7.765 12.671 2.365 479 HH21 ARG 62 1HH2 ARG 62 8.494 10.031 4.557 480 HH22 ARG 62 2HH2 ARG 62 8.586 11.748 4.307 481 H ILE 63 H ILE 63 6.074 3.492 0.951 482 HA ILE 63 HA ILE 63 8.077 2.805 2.700 483 HB ILE 63 HB ILE 63 8.123 2.271 -0.311 484 HG12 ILE 63 1HG1 ILE 63 6.982 -0.013 0.636 485 HG13 ILE 63 2HG1 ILE 63 6.330 1.105 1.816 486 HG21 ILE 63 1HG2 ILE 63 9.316 0.200 0.322 487 HG22 ILE 63 2HG2 ILE 63 9.269 0.686 2.016 488 HG23 ILE 63 3HG2 ILE 63 10.183 1.643 0.847 489 HD11 ILE 63 3HD1 ILE 63 4.824 0.616 -0.045 490 HD12 ILE 63 1HD1 ILE 63 5.976 1.328 -1.167 491 HD13 ILE 63 2HD1 ILE 63 5.207 2.330 0.067 492 H LEU 64 H LEU 64 9.757 4.031 3.245 493 HA LEU 64 HA LEU 64 10.973 5.916 1.306 494 HB2 LEU 64 1HB LEU 64 9.742 6.785 3.471 495 HB3 LEU 64 2HB LEU 64 11.163 6.206 4.324 496 HG LEU 64 HG LEU 64 12.533 7.703 2.699 497 HD11 LEU 64 1HD1 LEU 64 10.804 8.098 1.026 498 HD12 LEU 64 2HD1 LEU 64 11.339 9.623 1.726 499 HD13 LEU 64 3HD1 LEU 64 9.793 8.922 2.219 500 HD21 LEU 64 3HD2 LEU 64 12.248 8.246 5.076 501 HD22 LEU 64 1HD2 LEU 64 10.720 9.058 4.723 502 HD23 LEU 64 2HD2 LEU 64 12.236 9.702 4.082 503 HA PRO 65 HA PRO 65 14.355 2.923 2.020 504 HB2 PRO 65 1HB PRO 65 15.693 4.344 -0.227 505 HB3 PRO 65 2HB PRO 65 15.228 2.644 -0.096 506 HG2 PRO 65 1HG PRO 65 13.929 4.341 -1.746 507 HG3 PRO 65 2HG PRO 65 13.071 3.037 -0.891 508 HD2 PRO 65 1HD PRO 65 13.248 5.973 -0.174 509 HD3 PRO 65 2HD PRO 65 11.820 4.906 -0.206 510 H ASP 66 H ASP 66 15.453 6.121 0.929 511 HA ASP 66 HA ASP 66 16.307 7.936 2.035 512 HB2 ASP 66 1HB ASP 66 15.200 7.546 4.153 513 HB3 ASP 66 2HB ASP 66 16.269 6.202 4.541 514 H GLY 67 H GLY 67 18.087 5.200 3.620 515 HA2 GLY 67 1HA GLY 67 20.654 5.938 2.632 516 HA3 GLY 67 2HA GLY 67 20.194 4.379 3.309 517 H GLU 68 H GLU 68 18.266 3.480 1.609 518 HA GLU 68 HA GLU 68 17.369 3.174 -0.445 519 HB2 GLU 68 1HB GLU 68 19.666 4.828 -1.527 520 HB3 GLU 68 2HB GLU 68 18.420 4.116 -2.550 521 HG2 GLU 68 1HG GLU 68 16.708 5.426 -1.301 522 HG3 GLU 68 2HG GLU 68 17.996 6.186 -0.370 523 H ASP 69 H ASP 69 19.563 1.545 0.955 524 HA ASP 69 HA ASP 69 19.947 -0.336 -1.301 525 HB2 ASP 69 1HB ASP 69 21.943 0.064 0.160 526 HB3 ASP 69 2HB ASP 69 21.022 -0.488 1.556 527 H PHE 70 H PHE 70 18.458 0.052 1.889 528 HA PHE 70 HA PHE 70 16.487 -2.071 1.246 529 HB2 PHE 70 1HB PHE 70 17.335 -0.972 3.978 530 HB3 PHE 70 2HB PHE 70 16.039 -2.135 3.721 531 HD1 PHE 70 HD1 PHE 70 16.573 -4.448 2.880 532 HD2 PHE 70 HD2 PHE 70 19.646 -1.711 4.046 533 HE1 PHE 70 HE1 PHE 70 18.179 -6.299 3.044 534 HE2 PHE 70 HE2 PHE 70 21.241 -3.578 4.204 535 HZ PHE 70 HZ PHE 70 20.507 -5.870 3.702 536 H LEU 71 H LEU 71 14.430 -1.453 1.068 537 HA LEU 71 HA LEU 71 13.624 1.326 1.653 538 HB2 LEU 71 1HB LEU 71 11.711 0.894 0.084 539 HB3 LEU 71 2HB LEU 71 13.288 0.916 -0.668 540 HG LEU 71 HG LEU 71 12.029 -1.758 0.044 541 HD11 LEU 71 1HD1 LEU 71 10.972 -1.896 -2.167 542 HD12 LEU 71 2HD1 LEU 71 11.403 -0.216 -2.493 543 HD13 LEU 71 3HD1 LEU 71 10.268 -0.601 -1.198 544 HD21 LEU 71 3HD2 LEU 71 13.351 -2.563 -1.869 545 HD22 LEU 71 1HD2 LEU 71 14.377 -1.752 -0.689 546 HD23 LEU 71 2HD2 LEU 71 13.925 -0.922 -2.182 547 H ALA 72 H ALA 72 12.619 1.520 3.557 548 HA ALA 72 HA ALA 72 11.221 -0.790 4.743 549 HB1 ALA 72 3HB ALA 72 12.987 0.242 6.109 550 HB2 ALA 72 1HB ALA 72 11.409 0.407 6.884 551 HB3 ALA 72 2HB ALA 72 12.142 1.789 6.060 552 H VAL 73 H VAL 73 9.134 -0.832 5.023 553 HA VAL 73 HA VAL 73 7.394 1.340 4.144 554 HB VAL 73 HB VAL 73 6.482 -1.311 5.338 555 HG11 VAL 73 1HG1 VAL 73 5.103 0.562 3.373 556 HG12 VAL 73 2HG1 VAL 73 4.706 0.355 5.081 557 HG13 VAL 73 3HG1 VAL 73 4.463 -0.980 3.955 558 HG21 VAL 73 3HG2 VAL 73 7.207 -0.855 2.429 559 HG22 VAL 73 1HG2 VAL 73 6.426 -2.291 3.090 560 HG23 VAL 73 2HG2 VAL 73 8.068 -1.874 3.577 561 H GLN 74 H GLN 74 6.662 2.844 5.569 562 HA GLN 74 HA GLN 74 7.040 2.501 8.448 563 HB2 GLN 74 1HB GLN 74 6.162 4.845 6.714 564 HB3 GLN 74 2HB GLN 74 6.034 4.899 8.463 565 HG2 GLN 74 1HG GLN 74 8.043 6.047 7.576 566 HG3 GLN 74 2HG GLN 74 8.413 4.770 8.730 567 HE21 GLN 74 2HE2 GLN 74 9.600 2.965 8.035 568 HE22 GLN 74 1HE2 GLN 74 10.338 2.879 6.477 569 H THR 75 H THR 75 5.566 0.968 9.041 570 HA THR 75 HA THR 75 2.890 0.812 8.065 571 HB THR 75 HB THR 75 3.986 -0.587 10.545 572 HG1 THR 75 HG1 THR 75 4.406 -1.260 7.799 573 HG21 THR 75 3HG2 THR 75 1.974 -1.479 8.440 574 HG22 THR 75 1HG2 THR 75 1.572 -0.937 10.074 575 HG23 THR 75 2HG2 THR 75 2.492 -2.424 9.835 576 H SER 76 H SER 76 4.400 1.787 11.137 577 HA SER 76 HA SER 76 3.015 4.151 11.521 578 HB2 SER 76 1HB SER 76 0.976 2.797 12.003 579 HB3 SER 76 2HB SER 76 1.843 1.904 13.247 580 HG SER 76 HG SER 76 0.946 3.411 14.453 581 H GLN 77 H GLN 77 4.071 5.321 13.115 582 HA GLN 77 HA GLN 77 6.175 4.141 14.710 583 HB2 GLN 77 1HB GLN 77 6.319 6.499 13.901 584 HB3 GLN 77 2HB GLN 77 4.907 6.927 14.853 585 HG2 GLN 77 1HG GLN 77 6.934 7.708 15.947 586 HG3 GLN 77 2HG GLN 77 6.167 6.464 16.928 587 HE21 GLN 77 2HE2 GLN 77 7.224 4.453 17.183 588 HE22 GLN 77 1HE2 GLN 77 8.883 4.235 16.762 589 H GLY 78 H GLY 78 5.185 2.533 16.001 590 HA2 GLY 78 1HA GLY 78 3.964 2.808 18.360 591 HA3 GLY 78 2HA GLY 78 2.614 2.973 17.230 592 H VAL 79 H VAL 79 4.141 1.212 15.284 593 HA VAL 79 HA VAL 79 3.917 -1.447 16.589 594 HB VAL 79 HB VAL 79 2.918 -2.411 14.557 595 HG11 VAL 79 1HG1 VAL 79 1.291 -0.019 15.519 596 HG12 VAL 79 2HG1 VAL 79 1.365 -1.604 16.290 597 HG13 VAL 79 3HG1 VAL 79 0.642 -1.440 14.689 598 HG21 VAL 79 3HG2 VAL 79 2.879 0.403 13.392 599 HG22 VAL 79 1HG2 VAL 79 2.110 -1.007 12.660 600 HG23 VAL 79 2HG2 VAL 79 3.866 -0.945 12.830 601 HA PRO 80 HA PRO 80 7.994 -2.420 14.776 602 HB2 PRO 80 1HB PRO 80 6.622 -4.905 13.709 603 HB3 PRO 80 2HB PRO 80 8.165 -4.753 14.570 604 HG2 PRO 80 1HG PRO 80 6.025 -5.605 15.881 605 HG3 PRO 80 2HG PRO 80 7.110 -4.431 16.657 606 HD2 PRO 80 1HD PRO 80 4.425 -3.966 15.362 607 HD3 PRO 80 2HD PRO 80 5.093 -3.264 16.853 608 H VAL 81 H VAL 81 8.857 -1.614 12.994 609 HA VAL 81 HA VAL 81 7.365 -1.375 10.453 610 HB VAL 81 HB VAL 81 9.719 0.212 11.617 611 HG11 VAL 81 1HG1 VAL 81 8.491 0.508 8.845 612 HG12 VAL 81 2HG1 VAL 81 10.117 -0.072 9.193 613 HG13 VAL 81 3HG1 VAL 81 9.682 1.598 9.554 614 HG21 VAL 81 3HG2 VAL 81 8.135 2.123 11.501 615 HG22 VAL 81 1HG2 VAL 81 7.490 0.821 12.506 616 HG23 VAL 81 2HG2 VAL 81 6.889 1.051 10.862 617 H ARG 82 H ARG 82 8.226 -2.283 8.600 618 HA ARG 82 HA ARG 82 10.490 -4.158 8.978 619 HB2 ARG 82 1HB ARG 82 8.103 -4.396 7.092 620 HB3 ARG 82 2HB ARG 82 9.383 -5.597 7.317 621 HG2 ARG 82 1HG ARG 82 8.668 -5.980 9.615 622 HG3 ARG 82 2HG ARG 82 7.450 -4.703 9.483 623 HD2 ARG 82 1HD ARG 82 6.350 -6.045 7.670 624 HD3 ARG 82 2HD ARG 82 7.518 -7.336 7.985 625 HE ARG 82 HE ARG 82 5.355 -6.433 9.772 626 HH11 ARG 82 1HH1 ARG 82 7.918 -8.760 9.155 627 HH12 ARG 82 2HH1 ARG 82 7.488 -9.766 10.498 628 HH21 ARG 82 1HH2 ARG 82 4.817 -7.745 11.532 629 HH22 ARG 82 2HH2 ARG 82 5.714 -9.197 11.840 630 H ARG 83 H ARG 83 12.145 -4.109 7.554 631 HA ARG 83 HA ARG 83 12.126 -2.225 5.301 632 HB2 ARG 83 1HB ARG 83 14.578 -2.651 5.201 633 HB3 ARG 83 2HB ARG 83 14.075 -2.043 6.776 634 HG2 ARG 83 1HG ARG 83 14.336 -4.189 7.809 635 HG3 ARG 83 2HG ARG 83 14.485 -5.004 6.251 636 HD2 ARG 83 1HD ARG 83 16.655 -3.951 5.859 637 HD3 ARG 83 2HD ARG 83 16.494 -2.998 7.334 638 HE ARG 83 HE ARG 83 17.085 -4.821 8.591 639 HH11 ARG 83 1HH1 ARG 83 16.537 -5.961 5.302 640 HH12 ARG 83 2HH1 ARG 83 17.291 -7.494 5.588 641 HH21 ARG 83 1HH2 ARG 83 18.064 -6.835 8.932 642 HH22 ARG 83 2HH2 ARG 83 18.163 -7.986 7.638 643 H PHE 84 H PHE 84 12.744 -2.946 3.217 644 HA PHE 84 HA PHE 84 12.664 -5.825 2.656 645 HB2 PHE 84 1HB PHE 84 10.786 -3.805 1.340 646 HB3 PHE 84 2HB PHE 84 10.989 -5.473 0.808 647 HD1 PHE 84 HD1 PHE 84 10.549 -7.316 2.632 648 HD2 PHE 84 HD2 PHE 84 9.055 -3.331 2.897 649 HE1 PHE 84 HE1 PHE 84 8.821 -8.069 4.198 650 HE2 PHE 84 HE2 PHE 84 7.319 -4.093 4.464 651 HZ PHE 84 HZ PHE 84 7.204 -6.462 5.120 652 H GLN 85 H GLN 85 13.323 -6.286 0.412 653 HA GLN 85 HA GLN 85 15.170 -4.238 -0.704 654 HB2 GLN 85 1HB GLN 85 15.280 -7.274 -1.032 655 HB3 GLN 85 2HB GLN 85 16.419 -6.116 -1.726 656 HG2 GLN 85 1HG GLN 85 17.020 -5.432 0.626 657 HG3 GLN 85 2HG GLN 85 15.995 -6.747 1.203 658 HE21 GLN 85 2HE2 GLN 85 19.005 -5.920 -0.342 659 HE22 GLN 85 1HE2 GLN 85 19.725 -7.486 -0.240 660 H THR 86 H THR 86 12.234 -5.837 -1.208 661 HA THR 86 HA THR 86 12.056 -5.005 -3.996 662 HB THR 86 HB THR 86 11.617 -7.922 -3.155 663 HG1 THR 86 HG1 THR 86 13.739 -6.574 -4.401 664 HG21 THR 86 3HG2 THR 86 11.253 -8.403 -5.541 665 HG22 THR 86 1HG2 THR 86 11.416 -6.685 -5.928 666 HG23 THR 86 2HG2 THR 86 10.053 -7.250 -4.962 667 H LEU 87 H LEU 87 9.944 -4.665 -4.630 668 HA LEU 87 HA LEU 87 7.985 -4.072 -2.667 669 HB2 LEU 87 1HB LEU 87 7.715 -4.344 -5.683 670 HB3 LEU 87 2HB LEU 87 6.438 -3.735 -4.639 671 HG LEU 87 HG LEU 87 9.160 -2.421 -5.035 672 HD11 LEU 87 1HD1 LEU 87 6.438 -1.599 -6.099 673 HD12 LEU 87 2HD1 LEU 87 7.778 -2.258 -7.039 674 HD13 LEU 87 3HD1 LEU 87 7.940 -0.686 -6.268 675 HD21 LEU 87 3HD2 LEU 87 8.286 -2.000 -2.775 676 HD22 LEU 87 1HD2 LEU 87 6.747 -1.448 -3.447 677 HD23 LEU 87 2HD2 LEU 87 8.228 -0.533 -3.744 678 H GLY 88 H GLY 88 8.525 -6.934 -4.662 679 HA2 GLY 88 1HA GLY 88 6.172 -8.390 -4.159 680 HA3 GLY 88 2HA GLY 88 7.748 -9.089 -4.503 681 H GLU 89 H GLU 89 9.122 -8.049 -2.221 682 HA GLU 89 HA GLU 89 8.611 -9.959 -0.189 683 HB2 GLU 89 1HB GLU 89 10.156 -7.328 -0.026 684 HB3 GLU 89 2HB GLU 89 10.222 -8.602 1.185 685 HG2 GLU 89 1HG GLU 89 11.087 -8.965 -1.696 686 HG3 GLU 89 2HG GLU 89 12.179 -8.492 -0.393 687 H LEU 90 H LEU 90 8.010 -6.489 -0.351 688 HA LEU 90 HA LEU 90 6.593 -5.895 1.925 689 HB2 LEU 90 1HB LEU 90 7.380 -4.376 0.042 690 HB3 LEU 90 2HB LEU 90 5.994 -4.894 -0.889 691 HG LEU 90 HG LEU 90 5.877 -3.259 1.678 692 HD11 LEU 90 1HD1 LEU 90 5.248 -1.393 0.198 693 HD12 LEU 90 2HD1 LEU 90 5.508 -2.416 -1.217 694 HD13 LEU 90 3HD1 LEU 90 6.863 -2.003 -0.158 695 HD21 LEU 90 3HD2 LEU 90 3.501 -2.832 1.112 696 HD22 LEU 90 1HD2 LEU 90 3.803 -4.534 1.451 697 HD23 LEU 90 2HD2 LEU 90 3.613 -3.990 -0.216 698 H ILE 91 H ILE 91 5.177 -6.831 -1.201 699 HA ILE 91 HA ILE 91 2.480 -7.001 -0.371 700 HB ILE 91 HB ILE 91 3.887 -8.241 -2.781 701 HG12 ILE 91 1HG1 ILE 91 4.068 -5.769 -2.709 702 HG13 ILE 91 2HG1 ILE 91 3.062 -6.284 -4.048 703 HG21 ILE 91 1HG2 ILE 91 1.765 -9.410 -2.448 704 HG22 ILE 91 2HG2 ILE 91 1.664 -8.378 -3.874 705 HG23 ILE 91 3HG2 ILE 91 0.899 -7.875 -2.366 706 HD11 ILE 91 3HD1 ILE 91 2.099 -5.122 -1.440 707 HD12 ILE 91 1HD1 ILE 91 1.062 -5.647 -2.773 708 HD13 ILE 91 2HD1 ILE 91 2.182 -4.307 -2.999 709 H GLY 92 H GLY 92 5.121 -9.300 -0.325 710 HA2 GLY 92 1HA GLY 92 3.868 -11.747 0.094 711 HA3 GLY 92 2HA GLY 92 5.429 -11.286 0.753 712 H LEU 93 H LEU 93 5.134 -9.604 2.688 713 HA LEU 93 HA LEU 93 3.823 -11.083 4.759 714 HB2 LEU 93 1HB LEU 93 5.271 -8.412 4.830 715 HB3 LEU 93 2HB LEU 93 4.671 -9.239 6.255 716 HG LEU 93 HG LEU 93 6.891 -10.174 4.404 717 HD11 LEU 93 1HD1 LEU 93 8.318 -9.987 6.383 718 HD12 LEU 93 2HD1 LEU 93 6.951 -9.403 7.336 719 HD13 LEU 93 3HD1 LEU 93 7.563 -8.443 5.987 720 HD21 LEU 93 3HD2 LEU 93 5.579 -12.132 5.048 721 HD22 LEU 93 1HD2 LEU 93 5.696 -11.686 6.752 722 HD23 LEU 93 2HD2 LEU 93 7.145 -12.146 5.852 723 H TYR 94 H TYR 94 2.930 -8.167 2.950 724 HA TYR 94 HA TYR 94 1.005 -7.292 4.925 725 HB2 TYR 94 1HB TYR 94 1.907 -6.200 2.229 726 HB3 TYR 94 2HB TYR 94 0.546 -5.501 3.100 727 HD1 TYR 94 HD2 TYR 94 3.955 -6.700 4.225 728 HD2 TYR 94 HD1 TYR 94 1.193 -3.445 4.068 729 HE1 TYR 94 HE2 TYR 94 5.474 -5.353 5.594 730 HE2 TYR 94 HE1 TYR 94 2.718 -2.090 5.442 731 HH TYR 94 HH TYR 94 5.950 -2.983 6.040 732 H ALA 95 H ALA 95 0.863 -9.178 1.912 733 HA ALA 95 HA ALA 95 -1.925 -9.274 1.616 734 HB1 ALA 95 3HB ALA 95 -0.352 -10.218 -0.019 735 HB2 ALA 95 1HB ALA 95 -1.569 -11.411 0.453 736 HB3 ALA 95 2HB ALA 95 0.069 -11.502 1.114 737 H GLN 96 H GLN 96 0.005 -10.503 4.159 738 HA GLN 96 HA GLN 96 -2.319 -11.815 5.442 739 HB2 GLN 96 1HB GLN 96 -0.617 -13.477 6.402 740 HB3 GLN 96 2HB GLN 96 -0.966 -13.651 4.687 741 HG2 GLN 96 1HG GLN 96 1.130 -12.407 4.162 742 HG3 GLN 96 2HG GLN 96 1.494 -12.338 5.886 743 HE21 GLN 96 2HE2 GLN 96 3.035 -13.529 3.724 744 HE22 GLN 96 1HE2 GLN 96 3.246 -15.196 4.139 745 HA PRO 97 HA PRO 97 -0.154 -8.350 7.733 746 HB2 PRO 97 1HB PRO 97 -2.234 -6.685 8.246 747 HB3 PRO 97 2HB PRO 97 -1.442 -6.757 6.665 748 HG2 PRO 97 1HG PRO 97 -4.043 -7.986 7.538 749 HG3 PRO 97 2HG PRO 97 -3.631 -7.218 5.990 750 HD2 PRO 97 1HD PRO 97 -3.674 -9.972 6.416 751 HD3 PRO 97 2HD PRO 97 -2.760 -9.164 5.127 752 H ASN 98 H ASN 98 -3.391 -8.462 9.208 753 HA ASN 98 HA ASN 98 -4.183 -9.147 11.180 754 HB2 ASN 98 1HB ASN 98 -2.559 -11.005 11.525 755 HB3 ASN 98 2HB ASN 98 -1.357 -9.857 12.092 756 HD21 ASN 98 2HD2 ASN 98 -4.220 -11.646 12.909 757 HD22 ASN 98 1HD2 ASN 98 -4.255 -11.228 14.587 758 H GLN 99 H GLN 99 -1.182 -7.929 12.674 759 HA GLN 99 HA GLN 99 -2.360 -5.414 13.343 760 HB2 GLN 99 1HB GLN 99 -0.753 -6.540 14.807 761 HB3 GLN 99 2HB GLN 99 0.482 -6.482 13.552 762 HG2 GLN 99 1HG GLN 99 0.592 -4.052 13.722 763 HG3 GLN 99 2HG GLN 99 -0.714 -4.044 14.907 764 HE21 GLN 99 2HE2 GLN 99 -0.272 -4.673 17.018 765 HE22 GLN 99 1HE2 GLN 99 1.336 -4.849 17.613 766 H GLY 100 H GLY 100 -2.114 -3.408 12.392 767 HA2 GLY 100 1HA GLY 100 -0.520 -1.777 11.562 768 HA3 GLY 100 2HA GLY 100 0.062 -2.970 10.417 769 H LEU 101 H LEU 101 -2.034 -3.918 9.175 770 HA LEU 101 HA LEU 101 -2.819 -1.659 7.511 771 HB2 LEU 101 1HB LEU 101 -3.386 -4.609 7.094 772 HB3 LEU 101 2HB LEU 101 -3.734 -3.335 5.933 773 HG LEU 101 HG LEU 101 -1.029 -4.441 6.763 774 HD11 LEU 101 1HD1 LEU 101 -0.759 -4.814 4.355 775 HD12 LEU 101 2HD1 LEU 101 -2.357 -4.125 4.054 776 HD13 LEU 101 3HD1 LEU 101 -2.195 -5.623 4.976 777 HD21 LEU 101 3HD2 LEU 101 -0.754 -2.021 6.794 778 HD22 LEU 101 1HD2 LEU 101 -1.482 -1.886 5.193 779 HD23 LEU 101 2HD2 LEU 101 0.064 -2.714 5.399 780 H VAL 102 H VAL 102 -4.944 -1.511 6.585 781 HA VAL 102 HA VAL 102 -7.095 -1.505 8.599 782 HB VAL 102 HB VAL 102 -8.473 -0.292 6.947 783 HG11 VAL 102 1HG1 VAL 102 -5.691 0.919 7.230 784 HG12 VAL 102 2HG1 VAL 102 -6.994 1.017 8.415 785 HG13 VAL 102 3HG1 VAL 102 -7.170 1.809 6.850 786 HG21 VAL 102 3HG2 VAL 102 -7.554 0.439 4.749 787 HG22 VAL 102 1HG2 VAL 102 -7.696 -1.319 4.846 788 HG23 VAL 102 2HG2 VAL 102 -6.116 -0.550 5.020 789 H CYS 103 H CYS 103 -6.018 -3.338 5.933 790 HA CYS 103 HA CYS 103 -7.925 -5.452 6.200 791 HB2 CYS 103 1HB CYS 103 -9.274 -3.867 4.828 792 HB3 CYS 103 2HB CYS 103 -7.964 -3.749 3.659 793 HG CYS 103 HG CYS 103 -8.186 -6.321 2.738 794 H ALA 104 H ALA 104 -7.391 -7.196 4.571 795 HA ALA 104 HA ALA 104 -4.538 -7.419 4.085 796 HB1 ALA 104 3HB ALA 104 -5.822 -9.417 4.742 797 HB2 ALA 104 1HB ALA 104 -5.071 -9.647 3.162 798 HB3 ALA 104 2HB ALA 104 -6.798 -9.292 3.277 799 H LEU 105 H LEU 105 -3.798 -8.129 1.850 800 HA LEU 105 HA LEU 105 -4.694 -6.257 -0.156 801 HB2 LEU 105 1HB LEU 105 -2.609 -8.464 -0.355 802 HB3 LEU 105 2HB LEU 105 -2.821 -7.128 -1.473 803 HG LEU 105 HG LEU 105 -1.782 -6.989 1.384 804 HD11 LEU 105 1HD1 LEU 105 -0.450 -6.323 -1.248 805 HD12 LEU 105 2HD1 LEU 105 -0.145 -7.736 -0.232 806 HD13 LEU 105 3HD1 LEU 105 0.265 -6.129 0.358 807 HD21 LEU 105 3HD2 LEU 105 -3.216 -5.041 1.072 808 HD22 LEU 105 1HD2 LEU 105 -2.390 -4.631 -0.433 809 HD23 LEU 105 2HD2 LEU 105 -1.526 -4.550 1.105 810 H LEU 106 H LEU 106 -6.710 -6.777 -0.893 811 HA LEU 106 HA LEU 106 -7.431 -9.537 -1.638 812 HB2 LEU 106 1HB LEU 106 -9.036 -6.986 -1.261 813 HB3 LEU 106 2HB LEU 106 -9.718 -8.310 -2.185 814 HG LEU 106 HG LEU 106 -9.559 -9.783 -0.189 815 HD11 LEU 106 1HD1 LEU 106 -9.137 -8.874 2.036 816 HD12 LEU 106 2HD1 LEU 106 -8.695 -7.318 1.329 817 HD13 LEU 106 3HD1 LEU 106 -7.712 -8.748 1.007 818 HD21 LEU 106 3HD2 LEU 106 -11.654 -8.606 -0.692 819 HD22 LEU 106 1HD2 LEU 106 -11.133 -7.230 0.286 820 HD23 LEU 106 2HD2 LEU 106 -11.439 -8.794 1.046 821 H LEU 107 H LEU 107 -7.407 -6.272 -3.122 822 HA LEU 107 HA LEU 107 -7.590 -7.487 -5.822 823 HB2 LEU 107 1HB LEU 107 -9.869 -6.873 -5.089 824 HB3 LEU 107 2HB LEU 107 -9.329 -5.243 -4.719 825 HG LEU 107 HG LEU 107 -8.883 -4.850 -7.153 826 HD11 LEU 107 1HD1 LEU 107 -8.452 -7.138 -7.886 827 HD12 LEU 107 2HD1 LEU 107 -9.719 -6.391 -8.856 828 HD13 LEU 107 3HD1 LEU 107 -10.143 -7.571 -7.611 829 HD21 LEU 107 3HD2 LEU 107 -11.221 -4.630 -7.841 830 HD22 LEU 107 1HD2 LEU 107 -11.008 -4.143 -6.163 831 HD23 LEU 107 2HD2 LEU 107 -11.731 -5.710 -6.540 832 HA PRO 108 HA PRO 108 -4.371 -4.198 -6.370 833 HB2 PRO 108 1HB PRO 108 -3.238 -5.304 -8.616 834 HB3 PRO 108 2HB PRO 108 -2.807 -5.818 -6.977 835 HG2 PRO 108 1HG PRO 108 -4.717 -7.105 -8.927 836 HG3 PRO 108 2HG PRO 108 -3.491 -7.875 -7.898 837 HD2 PRO 108 1HD PRO 108 -6.135 -7.831 -7.223 838 HD3 PRO 108 2HD PRO 108 -4.848 -7.796 -5.997 839 H VAL 109 H VAL 109 -4.970 -2.338 -7.410 840 HA VAL 109 HA VAL 109 -7.000 -2.496 -9.560 841 HB VAL 109 HB VAL 109 -6.653 -0.258 -7.509 842 HG11 VAL 109 1HG1 VAL 109 -8.890 0.513 -8.260 843 HG12 VAL 109 2HG1 VAL 109 -8.923 -0.768 -9.475 844 HG13 VAL 109 3HG1 VAL 109 -7.717 0.520 -9.585 845 HG21 VAL 109 3HG2 VAL 109 -8.654 -1.143 -6.351 846 HG22 VAL 109 1HG2 VAL 109 -7.353 -2.335 -6.365 847 HG23 VAL 109 2HG2 VAL 109 -8.717 -2.506 -7.474 Start of MODEL 10 1 H1 MET 1 1H MET 1 5.259 20.497 -29.122 2 H2 MET 1 2H MET 1 3.906 19.643 -29.656 3 H3 MET 1 3H MET 1 5.304 19.678 -30.604 4 HA MET 1 HA MET 1 5.095 17.569 -29.503 5 HB2 MET 1 1HB MET 1 7.351 19.341 -28.467 6 HB3 MET 1 2HB MET 1 7.339 17.595 -28.271 7 HG2 MET 1 1HG MET 1 8.759 18.186 -30.127 8 HG3 MET 1 2HG MET 1 7.338 17.336 -30.740 9 HE1 MET 1 3HE MET 1 7.987 19.813 -33.688 10 HE2 MET 1 1HE MET 1 7.591 18.150 -33.253 11 HE3 MET 1 2HE MET 1 9.141 18.845 -32.771 12 H GLY 2 H GLY 2 5.937 16.679 -27.150 13 HA2 GLY 2 1HA GLY 2 5.603 16.618 -24.826 14 HA3 GLY 2 2HA GLY 2 4.489 17.977 -24.945 15 H HIS 3 H HIS 3 4.835 14.526 -25.843 16 HA HIS 3 HA HIS 3 2.094 13.974 -25.009 17 HB2 HIS 3 1HB HIS 3 1.423 12.929 -27.147 18 HB3 HIS 3 2HB HIS 3 1.782 14.624 -27.381 19 HD1 HIS 3 HD1 HIS 3 2.328 11.494 -28.962 20 HD2 HIS 3 HD2 HIS 3 4.680 14.874 -28.409 21 HE1 HIS 3 HE1 HIS 3 4.134 11.349 -30.698 22 HE2 HIS 3 HE2 HIS 3 5.672 13.260 -30.164 23 H HIS 4 H HIS 4 2.241 12.216 -23.778 24 HA HIS 4 HA HIS 4 3.628 9.828 -24.634 25 HB2 HIS 4 1HB HIS 4 5.477 11.144 -23.568 26 HB3 HIS 4 2HB HIS 4 4.547 11.234 -22.077 27 HD1 HIS 4 HD1 HIS 4 6.072 9.894 -20.585 28 HD2 HIS 4 HD2 HIS 4 5.141 7.860 -24.094 29 HE1 HIS 4 HE1 HIS 4 7.053 7.603 -20.317 30 HE2 HIS 4 HE2 HIS 4 6.519 6.401 -22.457 31 H HIS 5 H HIS 5 1.973 8.464 -24.341 32 HA HIS 5 HA HIS 5 1.055 7.994 -21.560 33 HB2 HIS 5 1HB HIS 5 -0.557 7.650 -24.134 34 HB3 HIS 5 2HB HIS 5 -1.042 6.942 -22.596 35 HD1 HIS 5 HD1 HIS 5 -2.359 9.397 -24.456 36 HD2 HIS 5 HD2 HIS 5 -0.640 9.569 -20.671 37 HE1 HIS 5 HE1 HIS 5 -3.358 11.422 -23.348 38 HE2 HIS 5 HE2 HIS 5 -2.351 11.469 -21.043 39 H HIS 6 H HIS 6 0.348 5.588 -21.348 40 HA HIS 6 HA HIS 6 1.575 3.634 -23.045 41 HB2 HIS 6 1HB HIS 6 3.271 2.779 -21.432 42 HB3 HIS 6 2HB HIS 6 3.637 4.415 -21.936 43 HD1 HIS 6 HD1 HIS 6 3.590 2.408 -19.016 44 HD2 HIS 6 HD2 HIS 6 2.612 6.363 -19.812 45 HE1 HIS 6 HE1 HIS 6 3.611 3.567 -16.792 46 HE2 HIS 6 HE2 HIS 6 3.156 5.976 -17.319 47 H HIS 7 H HIS 7 -0.221 2.400 -23.049 48 HA HIS 7 HA HIS 7 -1.201 1.240 -20.512 49 HB2 HIS 7 1HB HIS 7 -2.932 2.385 -22.755 50 HB3 HIS 7 2HB HIS 7 -3.564 1.301 -21.520 51 HD1 HIS 7 HD1 HIS 7 -4.296 2.352 -19.370 52 HD2 HIS 7 HD2 HIS 7 -1.988 4.931 -21.656 53 HE1 HIS 7 HE1 HIS 7 -4.387 4.555 -18.180 54 HE2 HIS 7 HE2 HIS 7 -3.149 6.144 -19.689 55 H HIS 8 H HIS 8 0.637 -0.066 -21.657 56 HA HIS 8 HA HIS 8 -0.190 -1.699 -23.929 57 HB2 HIS 8 1HB HIS 8 2.104 -0.727 -23.804 58 HB3 HIS 8 2HB HIS 8 2.424 -1.676 -22.355 59 HD1 HIS 8 HD1 HIS 8 3.450 -3.905 -22.751 60 HD2 HIS 8 HD2 HIS 8 1.608 -2.400 -26.159 61 HE1 HIS 8 HE1 HIS 8 4.014 -5.520 -24.591 62 HE2 HIS 8 HE2 HIS 8 2.706 -4.702 -26.577 63 H SER 9 H SER 9 1.271 -2.471 -20.726 64 HA SER 9 HA SER 9 -0.451 -4.794 -20.350 65 HB2 SER 9 1HB SER 9 1.591 -6.321 -20.126 66 HB3 SER 9 2HB SER 9 1.219 -5.807 -21.771 67 HG SER 9 HG SER 9 3.252 -4.801 -20.051 68 H HIS 10 H HIS 10 -1.121 -3.677 -18.478 69 HA HIS 10 HA HIS 10 0.712 -3.901 -16.170 70 HB2 HIS 10 1HB HIS 10 -1.047 -1.523 -16.850 71 HB3 HIS 10 2HB HIS 10 -0.570 -1.849 -15.191 72 HD1 HIS 10 HD1 HIS 10 0.258 0.732 -16.720 73 HD2 HIS 10 HD2 HIS 10 2.631 -2.649 -16.297 74 HE1 HIS 10 HE1 HIS 10 2.626 1.538 -16.933 75 HE2 HIS 10 HE2 HIS 10 4.032 -0.491 -16.478 76 H MET 11 H MET 11 -0.130 -5.713 -15.316 77 HA MET 11 HA MET 11 -2.912 -5.583 -14.271 78 HB2 MET 11 1HB MET 11 -2.527 -7.451 -15.928 79 HB3 MET 11 2HB MET 11 -1.292 -8.110 -14.861 80 HG2 MET 11 1HG MET 11 -3.033 -8.446 -13.114 81 HG3 MET 11 2HG MET 11 -4.245 -7.820 -14.226 82 HE1 MET 11 3HE MET 11 -1.983 -11.826 -14.822 83 HE2 MET 11 1HE MET 11 -1.774 -10.782 -13.418 84 HE3 MET 11 2HE MET 11 -1.185 -10.265 -14.997 85 H SER 12 H SER 12 0.365 -5.416 -13.549 86 HA SER 12 HA SER 12 0.476 -6.691 -10.996 87 HB2 SER 12 1HB SER 12 2.663 -5.523 -10.798 88 HB3 SER 12 2HB SER 12 2.493 -6.346 -12.349 89 HG SER 12 HG SER 12 2.711 -4.507 -13.286 90 H TRP 13 H TRP 13 1.130 -5.407 -9.001 91 HA TRP 13 HA TRP 13 -0.990 -3.503 -8.431 92 HB2 TRP 13 1HB TRP 13 0.107 -3.856 -6.002 93 HB3 TRP 13 2HB TRP 13 -0.945 -5.063 -6.718 94 HD1 TRP 13 HD1 TRP 13 -0.039 -7.456 -6.670 95 HE1 TRP 13 HE1 TRP 13 2.259 -8.570 -6.415 96 HE3 TRP 13 HE3 TRP 13 2.922 -3.272 -6.608 97 HZ2 TRP 13 HZ2 TRP 13 4.947 -7.809 -6.244 98 HZ3 TRP 13 HZ3 TRP 13 5.351 -3.564 -6.415 99 HH2 TRP 13 HH2 TRP 13 6.345 -5.785 -6.234 100 H TYR 14 H TYR 14 1.702 -2.762 -9.901 101 HA TYR 14 HA TYR 14 2.551 -0.566 -8.106 102 HB2 TYR 14 1HB TYR 14 4.453 -2.007 -8.099 103 HB3 TYR 14 2HB TYR 14 4.256 -2.424 -9.798 104 HD1 TYR 14 HD2 TYR 14 4.847 0.710 -7.727 105 HD2 TYR 14 HD1 TYR 14 5.838 -1.483 -11.270 106 HE1 TYR 14 HE2 TYR 14 6.440 2.468 -8.387 107 HE2 TYR 14 HE1 TYR 14 7.417 0.283 -11.918 108 HH TYR 14 HH TYR 14 8.395 2.764 -9.792 109 H HIS 15 H HIS 15 2.428 1.456 -9.049 110 HA HIS 15 HA HIS 15 2.299 1.714 -11.982 111 HB2 HIS 15 1HB HIS 15 0.496 3.223 -10.015 112 HB3 HIS 15 2HB HIS 15 0.412 3.273 -11.778 113 HD1 HIS 15 HD1 HIS 15 -0.065 0.695 -12.819 114 HD2 HIS 15 HD2 HIS 15 -1.353 1.557 -8.960 115 HE1 HIS 15 HE1 HIS 15 -1.710 -1.101 -12.240 116 HE2 HIS 15 HE2 HIS 15 -2.607 -0.459 -9.986 117 H ARG 16 H ARG 16 2.634 3.970 -12.635 118 HA ARG 16 HA ARG 16 3.406 5.967 -10.695 119 HB2 ARG 16 1HB ARG 16 5.409 6.728 -11.988 120 HB3 ARG 16 2HB ARG 16 5.643 5.179 -11.190 121 HG2 ARG 16 1HG ARG 16 4.885 5.338 -14.118 122 HG3 ARG 16 2HG ARG 16 6.561 5.512 -13.591 123 HD2 ARG 16 1HD ARG 16 6.379 3.284 -12.454 124 HD3 ARG 16 2HD ARG 16 4.769 3.102 -13.150 125 HE ARG 16 HE ARG 16 5.850 3.241 -15.376 126 HH11 ARG 16 1HH1 ARG 16 7.804 2.221 -12.625 127 HH12 ARG 16 2HH1 ARG 16 8.911 1.323 -13.614 128 HH21 ARG 16 1HH2 ARG 16 7.328 2.071 -16.637 129 HH22 ARG 16 2HH2 ARG 16 8.638 1.237 -15.864 130 H ASP 17 H ASP 17 3.658 8.196 -12.042 131 HA ASP 17 HA ASP 17 2.714 9.759 -13.285 132 HB2 ASP 17 1HB ASP 17 1.436 7.599 -15.020 133 HB3 ASP 17 2HB ASP 17 1.488 9.322 -15.376 134 H LEU 18 H LEU 18 1.362 7.790 -11.231 135 HA LEU 18 HA LEU 18 -1.424 8.708 -11.323 136 HB2 LEU 18 1HB LEU 18 -0.852 6.218 -11.278 137 HB3 LEU 18 2HB LEU 18 -0.098 6.473 -9.716 138 HG LEU 18 HG LEU 18 -2.365 7.191 -8.825 139 HD11 LEU 18 1HD1 LEU 18 -3.376 6.167 -11.498 140 HD12 LEU 18 2HD1 LEU 18 -3.438 7.839 -10.931 141 HD13 LEU 18 3HD1 LEU 18 -4.379 6.597 -10.109 142 HD21 LEU 18 3HD2 LEU 18 -1.511 4.933 -8.405 143 HD22 LEU 18 1HD2 LEU 18 -2.174 4.368 -9.944 144 HD23 LEU 18 2HD2 LEU 18 -3.255 4.893 -8.649 145 H SER 19 H SER 19 -1.863 10.353 -9.966 146 HA SER 19 HA SER 19 -0.011 11.230 -7.893 147 HB2 SER 19 1HB SER 19 -2.708 12.391 -8.737 148 HB3 SER 19 2HB SER 19 -1.516 13.176 -7.694 149 HG SER 19 HG SER 19 -1.369 13.869 -9.885 150 H ARG 20 H ARG 20 -0.994 11.859 -5.652 151 HA ARG 20 HA ARG 20 -1.969 9.633 -4.291 152 HB2 ARG 20 1HB ARG 20 -0.743 11.666 -3.362 153 HB3 ARG 20 2HB ARG 20 -2.269 12.531 -3.387 154 HG2 ARG 20 1HG ARG 20 -1.806 9.992 -1.771 155 HG3 ARG 20 2HG ARG 20 -1.515 11.610 -1.131 156 HD2 ARG 20 1HD ARG 20 -4.185 10.431 -2.012 157 HD3 ARG 20 2HD ARG 20 -3.680 10.827 -0.361 158 HE ARG 20 HE ARG 20 -3.491 13.213 -1.676 159 HH11 ARG 20 1HH1 ARG 20 -6.129 10.933 -1.308 160 HH12 ARG 20 2HH1 ARG 20 -7.354 12.150 -1.423 161 HH21 ARG 20 1HH2 ARG 20 -5.153 14.781 -1.802 162 HH22 ARG 20 2HH2 ARG 20 -6.812 14.294 -1.708 163 H ALA 21 H ALA 21 -3.749 12.620 -5.063 164 HA ALA 21 HA ALA 21 -6.312 11.876 -4.313 165 HB1 ALA 21 3HB ALA 21 -7.101 13.673 -5.802 166 HB2 ALA 21 1HB ALA 21 -5.534 13.710 -6.611 167 HB3 ALA 21 2HB ALA 21 -5.662 14.176 -4.914 168 H ALA 22 H ALA 22 -4.716 11.420 -7.448 169 HA ALA 22 HA ALA 22 -6.821 10.160 -8.837 170 HB1 ALA 22 3HB ALA 22 -3.831 9.873 -9.258 171 HB2 ALA 22 1HB ALA 22 -4.860 11.133 -9.948 172 HB3 ALA 22 2HB ALA 22 -5.087 9.448 -10.423 173 H ALA 23 H ALA 23 -4.353 8.861 -6.674 174 HA ALA 23 HA ALA 23 -4.530 6.116 -7.346 175 HB1 ALA 23 3HB ALA 23 -3.607 7.421 -4.762 176 HB2 ALA 23 1HB ALA 23 -2.599 7.069 -6.168 177 HB3 ALA 23 2HB ALA 23 -3.300 5.750 -5.228 178 H GLU 24 H GLU 24 -5.833 7.864 -4.502 179 HA GLU 24 HA GLU 24 -7.377 5.683 -3.554 180 HB2 GLU 24 1HB GLU 24 -8.312 7.353 -1.945 181 HB3 GLU 24 2HB GLU 24 -6.565 7.315 -1.995 182 HG2 GLU 24 1HG GLU 24 -6.838 9.581 -1.954 183 HG3 GLU 24 2HG GLU 24 -6.881 9.341 -3.694 184 H GLU 25 H GLU 25 -8.103 8.276 -5.823 185 HA GLU 25 HA GLU 25 -10.902 7.837 -6.016 186 HB2 GLU 25 1HB GLU 25 -8.878 8.965 -7.973 187 HB3 GLU 25 2HB GLU 25 -10.523 8.641 -8.507 188 HG2 GLU 25 1HG GLU 25 -11.368 10.132 -6.702 189 HG3 GLU 25 2HG GLU 25 -9.703 10.502 -6.258 190 H LEU 26 H LEU 26 -8.243 6.501 -8.025 191 HA LEU 26 HA LEU 26 -9.768 4.723 -9.526 192 HB2 LEU 26 1HB LEU 26 -6.848 4.984 -8.928 193 HB3 LEU 26 2HB LEU 26 -7.346 3.417 -9.518 194 HG LEU 26 HG LEU 26 -6.529 4.792 -11.367 195 HD11 LEU 26 1HD1 LEU 26 -8.426 4.584 -12.906 196 HD12 LEU 26 2HD1 LEU 26 -9.524 4.338 -11.542 197 HD13 LEU 26 3HD1 LEU 26 -8.246 3.166 -11.884 198 HD21 LEU 26 3HD2 LEU 26 -7.007 7.029 -10.517 199 HD22 LEU 26 1HD2 LEU 26 -8.749 6.762 -10.680 200 HD23 LEU 26 2HD2 LEU 26 -7.714 6.830 -12.112 201 H LEU 27 H LEU 27 -8.658 4.315 -6.227 202 HA LEU 27 HA LEU 27 -9.394 1.542 -5.986 203 HB2 LEU 27 1HB LEU 27 -9.148 3.745 -3.899 204 HB3 LEU 27 2HB LEU 27 -9.572 2.088 -3.491 205 HG LEU 27 HG LEU 27 -6.940 2.974 -4.724 206 HD11 LEU 27 1HD1 LEU 27 -7.524 2.031 -1.907 207 HD12 LEU 27 2HD1 LEU 27 -7.130 3.685 -2.388 208 HD13 LEU 27 3HD1 LEU 27 -5.930 2.409 -2.567 209 HD21 LEU 27 3HD2 LEU 27 -7.787 0.213 -3.818 210 HD22 LEU 27 1HD2 LEU 27 -6.173 0.669 -4.367 211 HD23 LEU 27 2HD2 LEU 27 -7.531 0.729 -5.488 212 H ALA 28 H ALA 28 -11.076 4.641 -5.312 213 HA ALA 28 HA ALA 28 -13.377 3.349 -4.154 214 HB1 ALA 28 3HB ALA 28 -14.178 5.625 -3.736 215 HB2 ALA 28 1HB ALA 28 -12.895 6.275 -4.761 216 HB3 ALA 28 2HB ALA 28 -12.486 5.453 -3.256 217 H ARG 29 H ARG 29 -12.665 4.584 -7.391 218 HA ARG 29 HA ARG 29 -15.348 4.772 -8.293 219 HB2 ARG 29 1HB ARG 29 -12.832 4.304 -9.959 220 HB3 ARG 29 2HB ARG 29 -14.387 4.852 -10.569 221 HG2 ARG 29 1HG ARG 29 -12.483 6.397 -8.782 222 HG3 ARG 29 2HG ARG 29 -12.837 6.708 -10.479 223 HD2 ARG 29 1HD ARG 29 -15.183 7.255 -9.852 224 HD3 ARG 29 2HD ARG 29 -14.768 6.984 -8.153 225 HE ARG 29 HE ARG 29 -12.953 8.853 -9.073 226 HH11 ARG 29 1HH1 ARG 29 -16.453 8.754 -8.801 227 HH12 ARG 29 2HH1 ARG 29 -16.599 10.467 -8.578 228 HH21 ARG 29 1HH2 ARG 29 -13.163 11.084 -8.782 229 HH22 ARG 29 2HH2 ARG 29 -14.734 11.787 -8.557 230 H ALA 30 H ALA 30 -12.900 2.204 -8.322 231 HA ALA 30 HA ALA 30 -14.519 0.411 -9.965 232 HB1 ALA 30 3HB ALA 30 -12.565 -1.055 -9.917 233 HB2 ALA 30 1HB ALA 30 -11.801 -0.034 -8.689 234 HB3 ALA 30 2HB ALA 30 -12.069 0.590 -10.319 235 H GLY 31 H GLY 31 -13.208 0.466 -6.629 236 HA2 GLY 31 1HA GLY 31 -14.887 -1.786 -5.855 237 HA3 GLY 31 2HA GLY 31 -13.153 -2.055 -5.895 238 H ARG 32 H ARG 32 -13.210 -2.480 -3.707 239 HA ARG 32 HA ARG 32 -12.757 -0.569 -1.768 240 HB2 ARG 32 1HB ARG 32 -14.858 -0.395 -0.470 241 HB3 ARG 32 2HB ARG 32 -15.101 0.226 -2.098 242 HG2 ARG 32 1HG ARG 32 -16.158 -1.985 -2.708 243 HG3 ARG 32 2HG ARG 32 -16.030 -2.457 -1.015 244 HD2 ARG 32 1HD ARG 32 -18.281 -1.668 -1.453 245 HD3 ARG 32 2HD ARG 32 -17.463 -0.510 -0.398 246 HE ARG 32 HE ARG 32 -16.985 0.556 -2.803 247 HH11 ARG 32 1HH1 ARG 32 -20.024 -0.642 -1.512 248 HH12 ARG 32 2HH1 ARG 32 -20.974 0.508 -2.400 249 HH21 ARG 32 1HH2 ARG 32 -18.248 2.035 -3.964 250 HH22 ARG 32 2HH2 ARG 32 -19.975 2.020 -3.779 251 H ASP 33 H ASP 33 -11.741 -1.761 -0.100 252 HA ASP 33 HA ASP 33 -12.152 -2.724 1.965 253 HB2 ASP 33 1HB ASP 33 -13.973 -4.725 0.585 254 HB3 ASP 33 2HB ASP 33 -13.557 -4.741 2.294 255 H GLY 34 H GLY 34 -10.030 -3.024 1.818 256 HA2 GLY 34 1HA GLY 34 -8.078 -4.274 1.899 257 HA3 GLY 34 2HA GLY 34 -8.941 -5.663 1.250 258 H SER 35 H SER 35 -9.378 -2.682 -0.393 259 HA SER 35 HA SER 35 -8.119 -3.689 -2.801 260 HB2 SER 35 1HB SER 35 -9.443 -0.969 -2.328 261 HB3 SER 35 2HB SER 35 -9.146 -1.770 -3.872 262 HG SER 35 HG SER 35 -10.704 -3.262 -3.418 263 H PHE 36 H PHE 36 -5.991 -3.217 -3.303 264 HA PHE 36 HA PHE 36 -4.847 -0.697 -2.255 265 HB2 PHE 36 1HB PHE 36 -2.778 -1.767 -1.641 266 HB3 PHE 36 2HB PHE 36 -4.086 -2.636 -0.852 267 HD1 PHE 36 HD2 PHE 36 -4.831 -4.885 -1.840 268 HD2 PHE 36 HD1 PHE 36 -1.246 -2.912 -3.079 269 HE1 PHE 36 HE2 PHE 36 -3.972 -7.000 -2.763 270 HE2 PHE 36 HE1 PHE 36 -0.406 -5.027 -3.993 271 HZ PHE 36 HZ PHE 36 -1.762 -7.072 -3.837 272 H LEU 37 H LEU 37 -3.176 0.177 -3.428 273 HA LEU 37 HA LEU 37 -2.050 -1.200 -5.700 274 HB2 LEU 37 1HB LEU 37 -2.308 0.807 -7.216 275 HB3 LEU 37 2HB LEU 37 -3.788 -0.066 -6.884 276 HG LEU 37 HG LEU 37 -4.318 1.775 -5.148 277 HD11 LEU 37 1HD1 LEU 37 -2.174 3.290 -6.654 278 HD12 LEU 37 2HD1 LEU 37 -2.116 2.807 -4.958 279 HD13 LEU 37 3HD1 LEU 37 -3.318 3.974 -5.494 280 HD21 LEU 37 3HD2 LEU 37 -4.264 2.545 -8.086 281 HD22 LEU 37 1HD2 LEU 37 -5.287 3.266 -6.840 282 HD23 LEU 37 2HD2 LEU 37 -5.509 1.578 -7.290 283 H VAL 38 H VAL 38 -0.088 -0.129 -6.409 284 HA VAL 38 HA VAL 38 1.219 1.546 -4.358 285 HB VAL 38 HB VAL 38 2.605 -0.482 -6.187 286 HG11 VAL 38 1HG1 VAL 38 4.617 -0.075 -4.791 287 HG12 VAL 38 2HG1 VAL 38 3.729 1.148 -3.876 288 HG13 VAL 38 3HG1 VAL 38 4.074 1.409 -5.586 289 HG21 VAL 38 3HG2 VAL 38 2.961 -1.876 -4.175 290 HG22 VAL 38 1HG2 VAL 38 1.243 -1.661 -4.513 291 HG23 VAL 38 2HG2 VAL 38 2.006 -0.744 -3.212 292 H ARG 39 H ARG 39 2.587 3.173 -5.234 293 HA ARG 39 HA ARG 39 2.575 3.670 -8.101 294 HB2 ARG 39 1HB ARG 39 1.641 5.915 -7.894 295 HB3 ARG 39 2HB ARG 39 0.486 4.766 -7.221 296 HG2 ARG 39 1HG ARG 39 1.129 5.369 -4.951 297 HG3 ARG 39 2HG ARG 39 2.423 6.405 -5.551 298 HD2 ARG 39 1HD ARG 39 0.592 7.765 -6.730 299 HD3 ARG 39 2HD ARG 39 -0.563 6.851 -5.757 300 HE ARG 39 HE ARG 39 0.485 7.770 -3.761 301 HH11 ARG 39 1HH1 ARG 39 1.287 9.406 -6.778 302 HH12 ARG 39 2HH1 ARG 39 1.664 10.913 -5.998 303 HH21 ARG 39 1HH2 ARG 39 1.041 9.751 -2.767 304 HH22 ARG 39 2HH2 ARG 39 1.530 11.093 -3.742 305 H ASP 40 H ASP 40 3.798 5.836 -8.424 306 HA ASP 40 HA ASP 40 6.256 5.923 -6.867 307 HB2 ASP 40 1HB ASP 40 6.323 6.310 -9.319 308 HB3 ASP 40 2HB ASP 40 5.220 7.670 -9.154 309 H SER 41 H SER 41 6.469 7.187 -5.059 310 HA SER 41 HA SER 41 4.310 8.817 -4.089 311 HB2 SER 41 1HB SER 41 5.763 9.269 -2.146 312 HB3 SER 41 2HB SER 41 5.768 7.553 -2.531 313 HG SER 41 HG SER 41 7.747 8.408 -3.890 314 H GLU 42 H GLU 42 4.705 11.081 -3.317 315 HA GLU 42 HA GLU 42 6.250 12.681 -5.273 316 HB2 GLU 42 1HB GLU 42 4.340 14.315 -5.283 317 HB3 GLU 42 2HB GLU 42 3.943 12.745 -5.986 318 HG2 GLU 42 1HG GLU 42 2.863 12.116 -3.808 319 HG3 GLU 42 2HG GLU 42 3.160 13.756 -3.229 320 H SER 43 H SER 43 5.332 12.114 -2.003 321 HA SER 43 HA SER 43 6.221 14.509 -0.769 322 HB2 SER 43 1HB SER 43 6.182 11.660 0.340 323 HB3 SER 43 2HB SER 43 6.278 13.144 1.296 324 HG SER 43 HG SER 43 4.216 13.628 0.774 325 H VAL 44 H VAL 44 7.865 11.707 -2.052 326 HA VAL 44 HA VAL 44 10.507 12.793 -1.475 327 HB VAL 44 HB VAL 44 10.268 11.470 0.493 328 HG11 VAL 44 1HG1 VAL 44 9.124 9.207 -1.187 329 HG12 VAL 44 2HG1 VAL 44 8.251 10.208 -0.028 330 HG13 VAL 44 3HG1 VAL 44 9.496 9.095 0.536 331 HG21 VAL 44 3HG2 VAL 44 12.431 11.097 -0.654 332 HG22 VAL 44 1HG2 VAL 44 11.743 9.704 -1.491 333 HG23 VAL 44 2HG2 VAL 44 11.937 9.670 0.261 334 H ALA 45 H ALA 45 11.522 12.787 -3.335 335 HA ALA 45 HA ALA 45 10.670 11.543 -5.716 336 HB1 ALA 45 3HB ALA 45 11.906 13.672 -5.665 337 HB2 ALA 45 1HB ALA 45 12.715 12.500 -6.708 338 HB3 ALA 45 2HB ALA 45 13.354 12.838 -5.096 339 H GLY 46 H GLY 46 11.146 9.612 -6.644 340 HA2 GLY 46 1HA GLY 46 12.385 7.761 -7.295 341 HA3 GLY 46 2HA GLY 46 13.642 8.195 -6.150 342 H ALA 47 H ALA 47 10.560 8.159 -4.719 343 HA ALA 47 HA ALA 47 10.927 5.409 -3.656 344 HB1 ALA 47 3HB ALA 47 11.367 7.149 -1.984 345 HB2 ALA 47 1HB ALA 47 9.914 6.236 -1.576 346 HB3 ALA 47 2HB ALA 47 9.773 7.848 -2.277 347 H PHE 48 H PHE 48 8.711 4.785 -2.496 348 HA PHE 48 HA PHE 48 6.593 4.909 -4.581 349 HB2 PHE 48 1HB PHE 48 7.030 2.566 -2.681 350 HB3 PHE 48 2HB PHE 48 5.982 2.621 -4.093 351 HD1 PHE 48 HD1 PHE 48 7.139 2.892 -6.410 352 HD2 PHE 48 HD2 PHE 48 9.215 1.710 -2.860 353 HE1 PHE 48 HE1 PHE 48 8.946 1.926 -7.774 354 HE2 PHE 48 HE2 PHE 48 11.012 0.752 -4.236 355 HZ PHE 48 HZ PHE 48 10.879 0.862 -6.690 356 H ALA 49 H ALA 49 4.368 4.575 -3.811 357 HA ALA 49 HA ALA 49 3.879 4.828 -0.912 358 HB1 ALA 49 3HB ALA 49 3.526 7.064 -1.908 359 HB2 ALA 49 1HB ALA 49 2.003 6.383 -1.327 360 HB3 ALA 49 2HB ALA 49 2.372 6.382 -3.054 361 H LEU 50 H LEU 50 1.982 3.766 -0.186 362 HA LEU 50 HA LEU 50 0.720 1.818 -2.018 363 HB2 LEU 50 1HB LEU 50 2.324 0.627 -0.608 364 HB3 LEU 50 2HB LEU 50 1.718 1.421 0.831 365 HG LEU 50 HG LEU 50 -0.429 0.174 0.623 366 HD11 LEU 50 1HD1 LEU 50 0.878 -1.290 -1.692 367 HD12 LEU 50 2HD1 LEU 50 -0.496 -0.185 -1.795 368 HD13 LEU 50 3HD1 LEU 50 -0.659 -1.709 -0.928 369 HD21 LEU 50 3HD2 LEU 50 0.414 -2.024 1.315 370 HD22 LEU 50 1HD2 LEU 50 1.362 -0.732 2.048 371 HD23 LEU 50 2HD2 LEU 50 2.014 -1.637 0.678 372 H CYS 51 H CYS 51 -1.404 2.266 -2.142 373 HA CYS 51 HA CYS 51 -2.756 3.821 -0.017 374 HB2 CYS 51 1HB CYS 51 -2.439 4.897 -2.286 375 HB3 CYS 51 2HB CYS 51 -3.417 3.617 -2.991 376 HG CYS 51 HG CYS 51 -5.524 5.037 -2.828 377 H VAL 52 H VAL 52 -4.406 2.732 1.046 378 HA VAL 52 HA VAL 52 -5.457 0.202 -0.088 379 HB VAL 52 HB VAL 52 -4.586 0.547 2.822 380 HG11 VAL 52 1HG1 VAL 52 -5.556 -1.933 1.337 381 HG12 VAL 52 2HG1 VAL 52 -6.437 -1.056 2.594 382 HG13 VAL 52 3HG1 VAL 52 -4.948 -1.916 2.994 383 HG21 VAL 52 3HG2 VAL 52 -2.707 -0.998 2.339 384 HG22 VAL 52 1HG2 VAL 52 -2.580 0.484 1.388 385 HG23 VAL 52 2HG2 VAL 52 -3.147 -1.006 0.630 386 H LEU 53 H LEU 53 -7.631 0.424 -0.241 387 HA LEU 53 HA LEU 53 -9.181 2.144 1.546 388 HB2 LEU 53 1HB LEU 53 -9.584 2.465 -0.818 389 HB3 LEU 53 2HB LEU 53 -9.782 0.758 -1.092 390 HG LEU 53 HG LEU 53 -11.963 0.743 -0.018 391 HD11 LEU 53 1HD1 LEU 53 -11.616 2.358 1.799 392 HD12 LEU 53 2HD1 LEU 53 -13.074 2.729 0.884 393 HD13 LEU 53 3HD1 LEU 53 -11.613 3.686 0.637 394 HD21 LEU 53 3HD2 LEU 53 -11.895 1.388 -2.388 395 HD22 LEU 53 1HD2 LEU 53 -11.771 3.092 -1.936 396 HD23 LEU 53 2HD2 LEU 53 -13.232 2.176 -1.554 397 H TYR 54 H TYR 54 -10.626 1.352 2.979 398 HA TYR 54 HA TYR 54 -11.848 -1.212 2.835 399 HB2 TYR 54 1HB TYR 54 -9.756 -2.034 3.770 400 HB3 TYR 54 2HB TYR 54 -9.759 -0.787 5.011 401 HD1 TYR 54 HD1 TYR 54 -11.986 -3.606 3.808 402 HD2 TYR 54 HD2 TYR 54 -10.462 -1.440 7.170 403 HE1 TYR 54 HE1 TYR 54 -13.160 -5.139 5.333 404 HE2 TYR 54 HE2 TYR 54 -11.641 -2.973 8.681 405 HH TYR 54 HH TYR 54 -12.978 -5.920 7.653 406 H GLN 55 H GLN 55 -13.776 -0.922 3.548 407 HA GLN 55 HA GLN 55 -15.683 0.149 4.202 408 HB2 GLN 55 1HB GLN 55 -14.216 -0.264 6.830 409 HB3 GLN 55 2HB GLN 55 -15.939 0.076 6.711 410 HG2 GLN 55 1HG GLN 55 -14.524 -2.352 5.584 411 HG3 GLN 55 2HG GLN 55 -15.478 -2.314 7.066 412 HE21 GLN 55 2HE2 GLN 55 -15.835 -3.946 4.651 413 HE22 GLN 55 1HE2 GLN 55 -17.434 -3.620 4.087 414 H LYS 56 H LYS 56 -14.742 2.165 3.052 415 HA LYS 56 HA LYS 56 -14.648 4.390 2.816 416 HB2 LYS 56 1HB LYS 56 -16.145 4.387 5.473 417 HB3 LYS 56 2HB LYS 56 -15.949 5.809 4.449 418 HG2 LYS 56 1HG LYS 56 -17.438 3.260 3.717 419 HG3 LYS 56 2HG LYS 56 -18.164 4.807 4.169 420 HD2 LYS 56 1HD LYS 56 -16.481 4.249 1.683 421 HD3 LYS 56 2HD LYS 56 -18.233 4.474 1.735 422 HE2 LYS 56 1HE LYS 56 -16.136 6.577 2.402 423 HE3 LYS 56 2HE LYS 56 -17.109 6.511 0.935 424 HZ1 LYS 56 3HZ LYS 56 -17.993 8.112 2.498 425 HZ2 LYS 56 1HZ LYS 56 -18.149 6.916 3.684 426 HZ3 LYS 56 2HZ LYS 56 -19.089 6.841 2.285 427 H HIS 57 H HIS 57 -12.376 3.111 4.123 428 HA HIS 57 HA HIS 57 -11.109 5.542 5.209 429 HB2 HIS 57 1HB HIS 57 -10.894 2.784 6.515 430 HB3 HIS 57 2HB HIS 57 -9.869 4.159 6.923 431 HD1 HIS 57 HD1 HIS 57 -11.190 6.290 7.926 432 HD2 HIS 57 HD2 HIS 57 -13.238 2.676 7.941 433 HE1 HIS 57 HE1 HIS 57 -13.120 6.615 9.500 434 HE2 HIS 57 HE2 HIS 57 -14.377 4.437 9.449 435 H VAL 58 H VAL 58 -9.733 5.968 3.597 436 HA VAL 58 HA VAL 58 -8.079 3.833 2.407 437 HB VAL 58 HB VAL 58 -8.212 6.743 1.481 438 HG11 VAL 58 1HG1 VAL 58 -7.234 4.200 0.113 439 HG12 VAL 58 2HG1 VAL 58 -6.218 5.501 0.743 440 HG13 VAL 58 3HG1 VAL 58 -7.287 5.800 -0.627 441 HG21 VAL 58 3HG2 VAL 58 -9.841 4.413 0.400 442 HG22 VAL 58 1HG2 VAL 58 -9.768 6.034 -0.294 443 HG23 VAL 58 2HG2 VAL 58 -10.480 5.789 1.304 444 H HIS 59 H HIS 59 -6.151 3.524 3.458 445 HA HIS 59 HA HIS 59 -4.755 5.810 4.692 446 HB2 HIS 59 1HB HIS 59 -4.291 2.804 5.036 447 HB3 HIS 59 2HB HIS 59 -3.521 4.089 5.959 448 HD1 HIS 59 HD1 HIS 59 -4.590 4.543 8.172 449 HD2 HIS 59 HD2 HIS 59 -7.251 2.776 5.514 450 HE1 HIS 59 HE1 HIS 59 -6.678 4.120 9.494 451 HE2 HIS 59 HE2 HIS 59 -8.206 2.897 7.912 452 H THR 60 H THR 60 -2.894 6.521 3.699 453 HA THR 60 HA THR 60 -1.746 4.894 1.499 454 HB THR 60 HB THR 60 -1.695 7.948 1.682 455 HG1 THR 60 HG1 THR 60 -3.485 6.165 0.430 456 HG21 THR 60 3HG2 THR 60 0.206 6.988 0.399 457 HG22 THR 60 1HG2 THR 60 -0.913 7.847 -0.664 458 HG23 THR 60 2HG2 THR 60 -0.929 6.084 -0.603 459 H TYR 61 H TYR 61 0.470 4.644 1.548 460 HA TYR 61 HA TYR 61 1.919 5.555 3.957 461 HB2 TYR 61 1HB TYR 61 1.881 2.697 2.864 462 HB3 TYR 61 2HB TYR 61 2.901 3.263 4.183 463 HD1 TYR 61 HD2 TYR 61 1.261 4.679 6.021 464 HD2 TYR 61 HD1 TYR 61 0.156 1.274 3.666 465 HE1 TYR 61 HE2 TYR 61 -0.472 4.099 7.664 466 HE2 TYR 61 HE1 TYR 61 -1.581 0.713 5.320 467 HH TYR 61 HH TYR 61 -1.980 1.156 7.797 468 H ARG 62 H ARG 62 3.458 6.862 3.023 469 HA ARG 62 HA ARG 62 4.833 6.434 0.604 470 HB2 ARG 62 1HB ARG 62 6.613 7.917 1.504 471 HB3 ARG 62 2HB ARG 62 5.009 8.597 1.727 472 HG2 ARG 62 1HG ARG 62 6.243 7.050 4.008 473 HG3 ARG 62 2HG ARG 62 6.845 8.668 3.667 474 HD2 ARG 62 1HD ARG 62 3.926 8.017 4.218 475 HD3 ARG 62 2HD ARG 62 5.075 8.604 5.427 476 HE ARG 62 HE ARG 62 5.118 10.378 3.267 477 HH11 ARG 62 1HH1 ARG 62 2.879 9.435 5.804 478 HH12 ARG 62 2HH1 ARG 62 2.095 10.981 5.805 479 HH21 ARG 62 1HH2 ARG 62 4.086 12.378 3.328 480 HH22 ARG 62 2HH2 ARG 62 2.750 12.612 4.410 481 H ILE 63 H ILE 63 7.555 5.795 0.759 482 HA ILE 63 HA ILE 63 7.770 3.347 2.072 483 HB ILE 63 HB ILE 63 7.155 3.190 -0.929 484 HG12 ILE 63 1HG1 ILE 63 5.746 1.756 1.375 485 HG13 ILE 63 2HG1 ILE 63 5.110 3.161 0.528 486 HG21 ILE 63 1HG2 ILE 63 7.722 0.772 -0.790 487 HG22 ILE 63 2HG2 ILE 63 8.237 0.999 0.882 488 HG23 ILE 63 3HG2 ILE 63 9.106 1.801 -0.425 489 HD11 ILE 63 3HD1 ILE 63 5.652 0.464 -0.686 490 HD12 ILE 63 1HD1 ILE 63 4.980 1.866 -1.526 491 HD13 ILE 63 2HD1 ILE 63 4.083 1.107 -0.212 492 H LEU 64 H LEU 64 9.981 3.727 2.457 493 HA LEU 64 HA LEU 64 11.409 5.305 0.394 494 HB2 LEU 64 1HB LEU 64 11.568 5.609 3.423 495 HB3 LEU 64 2HB LEU 64 12.749 6.290 2.321 496 HG LEU 64 HG LEU 64 10.734 7.551 1.249 497 HD11 LEU 64 1HD1 LEU 64 9.487 6.877 3.923 498 HD12 LEU 64 2HD1 LEU 64 8.919 6.341 2.338 499 HD13 LEU 64 3HD1 LEU 64 8.869 8.051 2.759 500 HD21 LEU 64 3HD2 LEU 64 12.523 8.683 2.482 501 HD22 LEU 64 1HD2 LEU 64 11.709 8.339 4.013 502 HD23 LEU 64 2HD2 LEU 64 10.959 9.414 2.832 503 HA PRO 65 HA PRO 65 14.621 2.082 0.789 504 HB2 PRO 65 1HB PRO 65 16.393 4.314 -0.173 505 HB3 PRO 65 2HB PRO 65 16.221 2.667 -0.802 506 HG2 PRO 65 1HG PRO 65 15.186 4.765 -2.112 507 HG3 PRO 65 2HG PRO 65 14.332 3.206 -2.069 508 HD2 PRO 65 1HD PRO 65 13.788 5.722 -0.490 509 HD3 PRO 65 2HD PRO 65 12.641 4.580 -1.229 510 H ASP 66 H ASP 66 16.098 5.286 1.344 511 HA ASP 66 HA ASP 66 16.810 6.456 3.115 512 HB2 ASP 66 1HB ASP 66 14.338 6.291 3.647 513 HB3 ASP 66 2HB ASP 66 14.710 4.934 4.704 514 H GLY 67 H GLY 67 17.779 3.519 2.663 515 HA2 GLY 67 1HA GLY 67 19.958 3.649 4.444 516 HA3 GLY 67 2HA GLY 67 18.810 2.386 4.914 517 H GLU 68 H GLU 68 21.592 2.325 3.613 518 HA GLU 68 HA GLU 68 21.947 2.207 1.038 519 HB2 GLU 68 1HB GLU 68 23.041 0.104 2.934 520 HB3 GLU 68 2HB GLU 68 23.765 0.566 1.395 521 HG2 GLU 68 1HG GLU 68 24.231 2.801 2.238 522 HG3 GLU 68 2HG GLU 68 23.389 2.451 3.744 523 H ASP 69 H ASP 69 20.384 -0.598 2.651 524 HA ASP 69 HA ASP 69 20.577 -2.102 0.079 525 HB2 ASP 69 1HB ASP 69 22.052 -2.975 1.913 526 HB3 ASP 69 2HB ASP 69 20.617 -3.297 2.883 527 H PHE 70 H PHE 70 18.290 -0.798 2.245 528 HA PHE 70 HA PHE 70 16.231 -2.789 1.500 529 HB2 PHE 70 1HB PHE 70 15.319 -2.702 3.767 530 HB3 PHE 70 2HB PHE 70 17.005 -3.199 3.821 531 HD1 PHE 70 HD2 PHE 70 18.764 -1.553 4.640 532 HD2 PHE 70 HD1 PHE 70 14.576 -0.695 4.898 533 HE1 PHE 70 HE2 PHE 70 19.218 0.211 6.300 534 HE2 PHE 70 HE1 PHE 70 15.049 1.064 6.550 535 HZ PHE 70 HZ PHE 70 17.362 1.516 7.252 536 H LEU 71 H LEU 71 14.122 -2.064 1.557 537 HA LEU 71 HA LEU 71 13.563 0.813 1.795 538 HB2 LEU 71 1HB LEU 71 11.711 0.557 0.168 539 HB3 LEU 71 2HB LEU 71 13.274 0.232 -0.541 540 HG LEU 71 HG LEU 71 12.512 -2.339 -0.016 541 HD11 LEU 71 1HD1 LEU 71 9.862 -0.969 -0.556 542 HD12 LEU 71 2HD1 LEU 71 10.333 -1.767 0.944 543 HD13 LEU 71 3HD1 LEU 71 10.152 -2.712 -0.533 544 HD21 LEU 71 3HD2 LEU 71 11.684 -0.797 -2.499 545 HD22 LEU 71 1HD2 LEU 71 11.838 -2.557 -2.373 546 HD23 LEU 71 2HD2 LEU 71 13.261 -1.532 -2.202 547 H ALA 72 H ALA 72 12.399 1.188 3.577 548 HA ALA 72 HA ALA 72 10.789 -1.001 4.770 549 HB1 ALA 72 3HB ALA 72 12.720 -0.341 6.171 550 HB2 ALA 72 1HB ALA 72 11.188 0.036 6.967 551 HB3 ALA 72 2HB ALA 72 12.133 1.321 6.210 552 H VAL 73 H VAL 73 8.860 -0.498 5.671 553 HA VAL 73 HA VAL 73 7.473 1.988 4.806 554 HB VAL 73 HB VAL 73 6.231 -0.805 4.904 555 HG11 VAL 73 1HG1 VAL 73 5.096 1.811 3.818 556 HG12 VAL 73 2HG1 VAL 73 4.592 1.009 5.308 557 HG13 VAL 73 3HG1 VAL 73 4.297 0.239 3.747 558 HG21 VAL 73 3HG2 VAL 73 6.230 -0.740 2.427 559 HG22 VAL 73 1HG2 VAL 73 7.866 -0.723 3.082 560 HG23 VAL 73 2HG2 VAL 73 7.146 0.767 2.465 561 H GLN 74 H GLN 74 6.327 2.957 6.453 562 HA GLN 74 HA GLN 74 6.747 1.949 9.154 563 HB2 GLN 74 1HB GLN 74 5.417 4.517 8.170 564 HB3 GLN 74 2HB GLN 74 5.688 4.108 9.862 565 HG2 GLN 74 1HG GLN 74 7.844 4.549 7.771 566 HG3 GLN 74 2HG GLN 74 7.366 5.693 9.027 567 HE21 GLN 74 2HE2 GLN 74 7.991 5.290 11.172 568 HE22 GLN 74 1HE2 GLN 74 9.207 4.133 11.582 569 H THR 75 H THR 75 5.516 0.213 9.419 570 HA THR 75 HA THR 75 2.872 -0.139 8.403 571 HB THR 75 HB THR 75 4.086 -1.788 10.668 572 HG1 THR 75 HG1 THR 75 4.965 -1.576 8.008 573 HG21 THR 75 3HG2 THR 75 2.390 -2.562 8.253 574 HG22 THR 75 1HG2 THR 75 1.810 -2.416 9.915 575 HG23 THR 75 2HG2 THR 75 2.976 -3.670 9.495 576 H SER 76 H SER 76 4.119 -0.150 11.724 577 HA SER 76 HA SER 76 2.541 2.042 12.638 578 HB2 SER 76 1HB SER 76 1.894 -0.746 13.724 579 HB3 SER 76 2HB SER 76 1.413 0.755 14.515 580 HG SER 76 HG SER 76 0.423 1.190 12.302 581 H GLN 77 H GLN 77 4.224 3.065 13.654 582 HA GLN 77 HA GLN 77 6.348 1.762 15.081 583 HB2 GLN 77 1HB GLN 77 5.328 4.638 15.259 584 HB3 GLN 77 2HB GLN 77 6.846 4.062 15.949 585 HG2 GLN 77 1HG GLN 77 7.719 3.580 13.721 586 HG3 GLN 77 2HG GLN 77 6.181 4.018 12.984 587 HE21 GLN 77 2HE2 GLN 77 5.602 6.193 12.847 588 HE22 GLN 77 1HE2 GLN 77 6.750 7.468 13.049 589 H GLY 78 H GLY 78 5.777 0.441 16.745 590 HA2 GLY 78 1HA GLY 78 4.643 0.721 19.113 591 HA3 GLY 78 2HA GLY 78 3.211 0.807 18.085 592 H VAL 79 H VAL 79 4.574 -0.925 16.085 593 HA VAL 79 HA VAL 79 4.820 -3.552 17.413 594 HB VAL 79 HB VAL 79 3.690 -4.698 15.560 595 HG11 VAL 79 1HG1 VAL 79 1.342 -3.967 15.867 596 HG12 VAL 79 2HG1 VAL 79 1.911 -2.448 16.565 597 HG13 VAL 79 3HG1 VAL 79 2.227 -3.970 17.398 598 HG21 VAL 79 3HG2 VAL 79 2.530 -3.502 13.703 599 HG22 VAL 79 1HG2 VAL 79 4.276 -3.229 13.671 600 HG23 VAL 79 2HG2 VAL 79 3.199 -1.973 14.278 601 HA PRO 80 HA PRO 80 8.795 -3.685 15.303 602 HB2 PRO 80 1HB PRO 80 8.796 -6.292 14.206 603 HB3 PRO 80 2HB PRO 80 9.280 -5.865 15.853 604 HG2 PRO 80 1HG PRO 80 6.631 -6.885 14.845 605 HG3 PRO 80 2HG PRO 80 7.517 -7.333 16.318 606 HD2 PRO 80 1HD PRO 80 5.424 -5.680 16.456 607 HD3 PRO 80 2HD PRO 80 6.862 -5.372 17.460 608 H VAL 81 H VAL 81 9.304 -2.681 13.487 609 HA VAL 81 HA VAL 81 7.637 -2.754 11.083 610 HB VAL 81 HB VAL 81 10.105 -1.070 11.759 611 HG11 VAL 81 1HG1 VAL 81 8.222 -0.809 9.379 612 HG12 VAL 81 2HG1 VAL 81 9.903 -1.342 9.314 613 HG13 VAL 81 3HG1 VAL 81 9.519 0.315 9.786 614 HG21 VAL 81 3HG2 VAL 81 8.162 -0.498 13.185 615 HG22 VAL 81 1HG2 VAL 81 7.155 -0.286 11.746 616 HG23 VAL 81 2HG2 VAL 81 8.507 0.808 12.049 617 H ARG 82 H ARG 82 8.343 -3.630 9.126 618 HA ARG 82 HA ARG 82 10.747 -5.351 9.205 619 HB2 ARG 82 1HB ARG 82 8.235 -5.458 7.487 620 HB3 ARG 82 2HB ARG 82 9.681 -6.366 7.075 621 HG2 ARG 82 1HG ARG 82 8.221 -7.887 8.139 622 HG3 ARG 82 2HG ARG 82 9.492 -7.533 9.303 623 HD2 ARG 82 1HD ARG 82 7.989 -6.083 10.558 624 HD3 ARG 82 2HD ARG 82 6.731 -6.275 9.327 625 HE ARG 82 HE ARG 82 7.416 -8.831 10.179 626 HH11 ARG 82 1HH1 ARG 82 5.927 -6.003 11.648 627 HH12 ARG 82 2HH1 ARG 82 5.006 -6.948 12.768 628 HH21 ARG 82 1HH2 ARG 82 6.209 -10.024 11.633 629 HH22 ARG 82 2HH2 ARG 82 5.183 -9.224 12.776 630 H ARG 83 H ARG 83 12.493 -4.822 7.940 631 HA ARG 83 HA ARG 83 12.274 -2.921 5.746 632 HB2 ARG 83 1HB ARG 83 14.690 -3.373 5.447 633 HB3 ARG 83 2HB ARG 83 14.336 -2.965 7.118 634 HG2 ARG 83 1HG ARG 83 14.558 -5.303 7.796 635 HG3 ARG 83 2HG ARG 83 14.740 -5.805 6.112 636 HD2 ARG 83 1HD ARG 83 16.907 -5.721 7.341 637 HD3 ARG 83 2HD ARG 83 16.873 -4.645 5.942 638 HE ARG 83 HE ARG 83 16.076 -3.230 8.258 639 HH11 ARG 83 1HH1 ARG 83 19.010 -4.601 6.895 640 HH12 ARG 83 2HH1 ARG 83 20.029 -3.396 7.610 641 HH21 ARG 83 1HH2 ARG 83 17.419 -1.669 9.163 642 HH22 ARG 83 2HH2 ARG 83 19.133 -1.738 8.889 643 H PHE 84 H PHE 84 12.087 -3.516 3.585 644 HA PHE 84 HA PHE 84 12.154 -6.389 2.852 645 HB2 PHE 84 1HB PHE 84 10.621 -4.150 1.446 646 HB3 PHE 84 2HB PHE 84 10.448 -5.883 1.177 647 HD1 PHE 84 HD2 PHE 84 9.188 -7.277 2.798 648 HD2 PHE 84 HD1 PHE 84 9.559 -3.050 3.368 649 HE1 PHE 84 HE2 PHE 84 7.386 -7.329 4.471 650 HE2 PHE 84 HE1 PHE 84 7.759 -3.126 5.045 651 HZ PHE 84 HZ PHE 84 6.675 -5.266 5.595 652 H GLN 85 H GLN 85 13.385 -6.947 1.020 653 HA GLN 85 HA GLN 85 15.289 -4.986 0.020 654 HB2 GLN 85 1HB GLN 85 15.920 -7.366 0.605 655 HB3 GLN 85 2HB GLN 85 14.992 -7.909 -0.790 656 HG2 GLN 85 1HG GLN 85 16.495 -6.685 -2.291 657 HG3 GLN 85 2HG GLN 85 17.382 -6.032 -0.916 658 HE21 GLN 85 2HE2 GLN 85 19.343 -6.915 -1.638 659 HE22 GLN 85 1HE2 GLN 85 19.683 -8.609 -1.581 660 H THR 86 H THR 86 12.270 -6.334 -0.942 661 HA THR 86 HA THR 86 12.309 -4.904 -3.518 662 HB THR 86 HB THR 86 11.473 -7.828 -3.177 663 HG1 THR 86 HG1 THR 86 13.816 -6.607 -4.149 664 HG21 THR 86 3HG2 THR 86 11.217 -7.901 -5.622 665 HG22 THR 86 1HG2 THR 86 11.581 -6.179 -5.730 666 HG23 THR 86 2HG2 THR 86 10.108 -6.722 -4.916 667 H LEU 87 H LEU 87 10.215 -4.178 -4.184 668 HA LEU 87 HA LEU 87 8.233 -3.747 -2.214 669 HB2 LEU 87 1HB LEU 87 8.846 -2.576 -4.616 670 HB3 LEU 87 2HB LEU 87 7.495 -3.559 -5.134 671 HG LEU 87 HG LEU 87 6.839 -1.230 -4.627 672 HD11 LEU 87 1HD1 LEU 87 5.141 -2.949 -4.356 673 HD12 LEU 87 2HD1 LEU 87 4.911 -1.650 -3.193 674 HD13 LEU 87 3HD1 LEU 87 5.612 -3.186 -2.675 675 HD21 LEU 87 3HD2 LEU 87 8.523 -0.757 -2.907 676 HD22 LEU 87 1HD2 LEU 87 7.661 -1.799 -1.768 677 HD23 LEU 87 2HD2 LEU 87 6.900 -0.323 -2.377 678 H GLY 88 H GLY 88 8.619 -6.184 -4.773 679 HA2 GLY 88 1HA GLY 88 6.298 -7.661 -4.623 680 HA3 GLY 88 2HA GLY 88 7.889 -8.358 -4.861 681 H GLU 89 H GLU 89 9.042 -7.775 -2.391 682 HA GLU 89 HA GLU 89 8.039 -9.901 -0.759 683 HB2 GLU 89 1HB GLU 89 10.139 -7.804 -0.070 684 HB3 GLU 89 2HB GLU 89 9.888 -9.344 0.759 685 HG2 GLU 89 1HG GLU 89 10.902 -8.908 -2.070 686 HG3 GLU 89 2HG GLU 89 11.821 -9.506 -0.692 687 H LEU 90 H LEU 90 7.798 -6.375 -0.694 688 HA LEU 90 HA LEU 90 6.679 -5.962 1.839 689 HB2 LEU 90 1HB LEU 90 7.412 -4.064 0.548 690 HB3 LEU 90 2HB LEU 90 6.342 -4.468 -0.783 691 HG LEU 90 HG LEU 90 4.363 -3.925 0.679 692 HD11 LEU 90 1HD1 LEU 90 6.455 -2.964 2.637 693 HD12 LEU 90 2HD1 LEU 90 5.321 -4.299 2.864 694 HD13 LEU 90 3HD1 LEU 90 4.722 -2.650 2.748 695 HD21 LEU 90 3HD2 LEU 90 5.177 -2.253 -0.882 696 HD22 LEU 90 1HD2 LEU 90 6.350 -1.668 0.299 697 HD23 LEU 90 2HD2 LEU 90 4.619 -1.480 0.598 698 H ILE 91 H ILE 91 5.001 -6.280 -1.277 699 HA ILE 91 HA ILE 91 2.365 -6.261 -0.297 700 HB ILE 91 HB ILE 91 3.461 -7.391 -2.907 701 HG12 ILE 91 1HG1 ILE 91 4.043 -5.025 -2.643 702 HG13 ILE 91 2HG1 ILE 91 2.803 -5.175 -3.877 703 HG21 ILE 91 1HG2 ILE 91 1.180 -7.078 -3.828 704 HG22 ILE 91 2HG2 ILE 91 0.592 -6.663 -2.215 705 HG23 ILE 91 3HG2 ILE 91 1.222 -8.281 -2.539 706 HD11 ILE 91 3HD1 ILE 91 2.442 -3.243 -2.459 707 HD12 ILE 91 1HD1 ILE 91 2.364 -4.265 -1.028 708 HD13 ILE 91 2HD1 ILE 91 1.121 -4.396 -2.279 709 H GLY 92 H GLY 92 4.581 -8.913 -1.031 710 HA2 GLY 92 1HA GLY 92 3.018 -11.164 -0.620 711 HA3 GLY 92 2HA GLY 92 4.734 -11.063 -0.260 712 H LEU 93 H LEU 93 4.920 -9.388 1.872 713 HA LEU 93 HA LEU 93 3.959 -11.065 4.012 714 HB2 LEU 93 1HB LEU 93 5.685 -8.562 4.055 715 HB3 LEU 93 2HB LEU 93 5.315 -9.537 5.467 716 HG LEU 93 HG LEU 93 6.933 -10.417 3.042 717 HD11 LEU 93 1HD1 LEU 93 8.805 -10.603 4.633 718 HD12 LEU 93 2HD1 LEU 93 7.775 -9.971 5.920 719 HD13 LEU 93 3HD1 LEU 93 8.180 -8.957 4.533 720 HD21 LEU 93 3HD2 LEU 93 7.312 -12.559 4.218 721 HD22 LEU 93 1HD2 LEU 93 5.608 -12.323 3.834 722 HD23 LEU 93 2HD2 LEU 93 6.180 -12.072 5.484 723 H TYR 94 H TYR 94 2.986 -8.005 2.656 724 HA TYR 94 HA TYR 94 1.272 -7.297 4.888 725 HB2 TYR 94 1HB TYR 94 1.848 -6.066 2.195 726 HB3 TYR 94 2HB TYR 94 0.400 -5.569 3.060 727 HD1 TYR 94 HD1 TYR 94 3.453 -6.400 4.997 728 HD2 TYR 94 HD2 TYR 94 1.209 -3.252 3.155 729 HE1 TYR 94 HE1 TYR 94 4.743 -4.728 6.260 730 HE2 TYR 94 HE2 TYR 94 2.501 -1.590 4.421 731 HH TYR 94 HH TYR 94 5.361 -2.346 6.050 732 H ALA 95 H ALA 95 0.874 -9.229 1.993 733 HA ALA 95 HA ALA 95 -1.968 -9.339 1.984 734 HB1 ALA 95 3HB ALA 95 -0.608 -10.143 0.100 735 HB2 ALA 95 1HB ALA 95 -1.671 -11.425 0.685 736 HB3 ALA 95 2HB ALA 95 0.048 -11.438 1.102 737 H GLN 96 H GLN 96 0.519 -11.047 3.775 738 HA GLN 96 HA GLN 96 -1.506 -12.157 5.659 739 HB2 GLN 96 1HB GLN 96 1.101 -13.491 4.779 740 HB3 GLN 96 2HB GLN 96 0.050 -14.094 6.048 741 HG2 GLN 96 1HG GLN 96 -0.747 -13.840 3.134 742 HG3 GLN 96 2HG GLN 96 -0.172 -15.324 3.898 743 HE21 GLN 96 2HE2 GLN 96 -1.528 -16.371 5.419 744 HE22 GLN 96 1HE2 GLN 96 -3.223 -16.057 5.490 745 HA PRO 97 HA PRO 97 1.625 -9.387 7.695 746 HB2 PRO 97 1HB PRO 97 -0.032 -7.381 8.523 747 HB3 PRO 97 2HB PRO 97 0.564 -7.527 6.863 748 HG2 PRO 97 1HG PRO 97 -2.156 -7.985 7.907 749 HG3 PRO 97 2HG PRO 97 -1.631 -7.742 6.234 750 HD2 PRO 97 1HD PRO 97 -2.214 -10.257 7.639 751 HD3 PRO 97 2HD PRO 97 -1.935 -9.988 5.904 752 H ASN 98 H ASN 98 -1.519 -9.420 9.478 753 HA ASN 98 HA ASN 98 -2.073 -9.536 11.611 754 HB2 ASN 98 1HB ASN 98 0.176 -11.578 11.699 755 HB3 ASN 98 2HB ASN 98 -0.994 -11.347 12.994 756 HD21 ASN 98 2HD2 ASN 98 -0.496 -13.733 11.428 757 HD22 ASN 98 1HD2 ASN 98 -1.984 -14.138 10.651 758 H GLN 99 H GLN 99 -1.080 -7.285 11.357 759 HA GLN 99 HA GLN 99 -0.209 -6.072 13.516 760 HB2 GLN 99 1HB GLN 99 2.222 -7.406 12.394 761 HB3 GLN 99 2HB GLN 99 2.441 -5.716 12.812 762 HG2 GLN 99 1HG GLN 99 1.885 -6.105 15.108 763 HG3 GLN 99 2HG GLN 99 1.300 -7.726 14.756 764 HE21 GLN 99 2HE2 GLN 99 3.281 -6.907 16.702 765 HE22 GLN 99 1HE2 GLN 99 4.723 -7.771 16.314 766 H GLY 100 H GLY 100 -1.497 -4.443 12.465 767 HA2 GLY 100 1HA GLY 100 -0.942 -2.125 12.109 768 HA3 GLY 100 2HA GLY 100 0.288 -2.607 10.955 769 H LEU 101 H LEU 101 -1.398 -4.536 9.599 770 HA LEU 101 HA LEU 101 -2.616 -2.705 7.720 771 HB2 LEU 101 1HB LEU 101 -2.133 -5.677 7.713 772 HB3 LEU 101 2HB LEU 101 -3.261 -5.008 6.561 773 HG LEU 101 HG LEU 101 -1.043 -5.318 5.550 774 HD11 LEU 101 1HD1 LEU 101 -0.767 -3.103 4.545 775 HD12 LEU 101 2HD1 LEU 101 -1.778 -2.384 5.803 776 HD13 LEU 101 3HD1 LEU 101 -2.469 -3.546 4.667 777 HD21 LEU 101 3HD2 LEU 101 0.897 -3.985 6.235 778 HD22 LEU 101 1HD2 LEU 101 0.353 -5.021 7.554 779 HD23 LEU 101 2HD2 LEU 101 -0.016 -3.293 7.577 780 H VAL 102 H VAL 102 -4.556 -2.060 7.676 781 HA VAL 102 HA VAL 102 -6.486 -2.361 9.605 782 HB VAL 102 HB VAL 102 -8.042 -1.170 8.020 783 HG11 VAL 102 1HG1 VAL 102 -6.457 0.102 9.419 784 HG12 VAL 102 2HG1 VAL 102 -6.676 0.889 7.855 785 HG13 VAL 102 3HG1 VAL 102 -5.213 -0.046 8.175 786 HG21 VAL 102 3HG2 VAL 102 -7.194 -0.489 5.777 787 HG22 VAL 102 1HG2 VAL 102 -7.339 -2.248 5.894 788 HG23 VAL 102 2HG2 VAL 102 -5.755 -1.481 6.015 789 H CYS 103 H CYS 103 -6.236 -4.247 6.616 790 HA CYS 103 HA CYS 103 -8.069 -6.251 7.685 791 HB2 CYS 103 1HB CYS 103 -9.536 -4.646 6.390 792 HB3 CYS 103 2HB CYS 103 -8.602 -5.019 4.942 793 HG CYS 103 HG CYS 103 -9.310 -7.859 5.281 794 H ALA 104 H ALA 104 -5.200 -5.599 6.422 795 HA ALA 104 HA ALA 104 -3.535 -6.628 5.285 796 HB1 ALA 104 3HB ALA 104 -5.416 -8.975 4.831 797 HB2 ALA 104 1HB ALA 104 -4.291 -8.807 6.179 798 HB3 ALA 104 2HB ALA 104 -3.675 -8.958 4.533 799 H LEU 105 H LEU 105 -3.135 -7.631 2.957 800 HA LEU 105 HA LEU 105 -4.529 -5.881 1.055 801 HB2 LEU 105 1HB LEU 105 -2.038 -7.600 0.717 802 HB3 LEU 105 2HB LEU 105 -2.690 -6.507 -0.488 803 HG LEU 105 HG LEU 105 -1.317 -5.805 2.125 804 HD11 LEU 105 1HD1 LEU 105 -0.741 -4.981 -0.735 805 HD12 LEU 105 2HD1 LEU 105 0.138 -6.191 0.204 806 HD13 LEU 105 3HD1 LEU 105 0.181 -4.501 0.697 807 HD21 LEU 105 3HD2 LEU 105 -2.903 -3.865 0.403 808 HD22 LEU 105 1HD2 LEU 105 -1.819 -3.415 1.723 809 HD23 LEU 105 2HD2 LEU 105 -3.274 -4.346 2.059 810 H LEU 106 H LEU 106 -6.382 -6.759 0.337 811 HA LEU 106 HA LEU 106 -6.764 -9.632 0.085 812 HB2 LEU 106 1HB LEU 106 -8.600 -7.238 -0.111 813 HB3 LEU 106 2HB LEU 106 -9.128 -8.773 -0.773 814 HG LEU 106 HG LEU 106 -8.884 -9.836 1.452 815 HD11 LEU 106 1HD1 LEU 106 -7.133 -8.430 2.430 816 HD12 LEU 106 2HD1 LEU 106 -8.543 -8.502 3.483 817 HD13 LEU 106 3HD1 LEU 106 -8.251 -7.064 2.500 818 HD21 LEU 106 3HD2 LEU 106 -11.070 -8.928 0.753 819 HD22 LEU 106 1HD2 LEU 106 -10.663 -7.378 1.494 820 HD23 LEU 106 2HD2 LEU 106 -10.853 -8.819 2.499 821 H LEU 107 H LEU 107 -6.913 -6.800 -2.137 822 HA LEU 107 HA LEU 107 -6.027 -8.421 -4.351 823 HB2 LEU 107 1HB LEU 107 -7.939 -8.367 -5.767 824 HB3 LEU 107 2HB LEU 107 -8.455 -8.989 -4.225 825 HG LEU 107 HG LEU 107 -10.263 -7.688 -4.915 826 HD11 LEU 107 1HD1 LEU 107 -9.739 -7.128 -2.629 827 HD12 LEU 107 2HD1 LEU 107 -10.482 -5.766 -3.464 828 HD13 LEU 107 3HD1 LEU 107 -8.742 -5.769 -3.160 829 HD21 LEU 107 3HD2 LEU 107 -9.244 -6.632 -6.862 830 HD22 LEU 107 1HD2 LEU 107 -8.444 -5.447 -5.828 831 HD23 LEU 107 2HD2 LEU 107 -10.206 -5.482 -5.942 832 HA PRO 108 HA PRO 108 -4.702 -4.263 -5.602 833 HB2 PRO 108 1HB PRO 108 -3.344 -4.896 -7.864 834 HB3 PRO 108 2HB PRO 108 -2.724 -5.300 -6.256 835 HG2 PRO 108 1HG PRO 108 -4.158 -7.077 -8.230 836 HG3 PRO 108 2HG PRO 108 -2.714 -7.423 -7.255 837 HD2 PRO 108 1HD PRO 108 -5.255 -8.232 -6.556 838 HD3 PRO 108 2HD PRO 108 -3.959 -7.943 -5.372 839 H VAL 109 H VAL 109 -5.693 -2.685 -6.783 840 HA VAL 109 HA VAL 109 -7.791 -3.447 -8.727 841 HB VAL 109 HB VAL 109 -7.401 -0.812 -7.211 842 HG11 VAL 109 1HG1 VAL 109 -9.768 -1.748 -8.891 843 HG12 VAL 109 2HG1 VAL 109 -8.618 -0.482 -9.326 844 HG13 VAL 109 3HG1 VAL 109 -9.700 -0.255 -7.952 845 HG21 VAL 109 3HG2 VAL 109 -9.313 -1.515 -5.814 846 HG22 VAL 109 1HG2 VAL 109 -7.961 -2.641 -5.667 847 HG23 VAL 109 2HG2 VAL 109 -9.361 -3.068 -6.653 Start of MODEL 11 1 H1 MET 1 1H MET 1 10.131 15.044 -33.590 2 H2 MET 1 2H MET 1 8.468 14.748 -33.558 3 H3 MET 1 3H MET 1 9.549 13.516 -33.158 4 HA MET 1 HA MET 1 10.272 14.690 -31.226 5 HB2 MET 1 1HB MET 1 8.165 16.745 -32.033 6 HB3 MET 1 2HB MET 1 9.050 16.753 -30.510 7 HG2 MET 1 1HG MET 1 11.154 17.096 -31.722 8 HG3 MET 1 2HG MET 1 10.283 17.065 -33.262 9 HE1 MET 1 3HE MET 1 12.237 19.447 -32.398 10 HE2 MET 1 1HE MET 1 11.282 20.845 -32.888 11 HE3 MET 1 2HE MET 1 11.352 19.423 -33.926 12 H GLY 2 H GLY 2 9.542 12.755 -30.407 13 HA2 GLY 2 1HA GLY 2 8.151 11.489 -29.046 14 HA3 GLY 2 2HA GLY 2 6.820 12.596 -29.359 15 H HIS 3 H HIS 3 7.527 9.506 -29.728 16 HA HIS 3 HA HIS 3 6.863 8.998 -32.481 17 HB2 HIS 3 1HB HIS 3 8.209 7.422 -31.068 18 HB3 HIS 3 2HB HIS 3 6.782 7.097 -30.094 19 HD1 HIS 3 HD1 HIS 3 6.201 4.745 -30.649 20 HD2 HIS 3 HD2 HIS 3 7.106 6.946 -34.055 21 HE1 HIS 3 HE1 HIS 3 5.781 3.200 -32.574 22 HE2 HIS 3 HE2 HIS 3 6.515 4.488 -34.603 23 H HIS 4 H HIS 4 5.084 9.441 -29.526 24 HA HIS 4 HA HIS 4 2.947 9.907 -29.034 25 HB2 HIS 4 1HB HIS 4 3.255 11.401 -31.102 26 HB3 HIS 4 2HB HIS 4 2.409 10.168 -32.024 27 HD1 HIS 4 HD1 HIS 4 1.805 12.525 -29.092 28 HD2 HIS 4 HD2 HIS 4 -0.323 10.466 -32.010 29 HE1 HIS 4 HE1 HIS 4 -0.577 13.279 -28.844 30 HE2 HIS 4 HE2 HIS 4 -1.808 12.139 -30.723 31 H HIS 5 H HIS 5 3.802 7.064 -29.925 32 HA HIS 5 HA HIS 5 1.111 5.857 -30.301 33 HB2 HIS 5 1HB HIS 5 2.937 5.338 -32.007 34 HB3 HIS 5 2HB HIS 5 3.847 4.555 -30.725 35 HD1 HIS 5 HD1 HIS 5 3.473 2.091 -30.565 36 HD2 HIS 5 HD2 HIS 5 0.272 4.026 -32.359 37 HE1 HIS 5 HE1 HIS 5 1.910 0.264 -31.293 38 HE2 HIS 5 HE2 HIS 5 -0.025 1.466 -32.380 39 H HIS 6 H HIS 6 2.204 6.988 -27.836 40 HA HIS 6 HA HIS 6 3.337 5.063 -26.103 41 HB2 HIS 6 1HB HIS 6 3.553 7.557 -25.810 42 HB3 HIS 6 2HB HIS 6 1.861 7.631 -25.342 43 HD1 HIS 6 HD1 HIS 6 5.203 7.184 -23.985 44 HD2 HIS 6 HD2 HIS 6 1.353 6.174 -22.808 45 HE1 HIS 6 HE1 HIS 6 5.366 6.665 -21.535 46 HE2 HIS 6 HE2 HIS 6 2.980 6.307 -20.814 47 H HIS 7 H HIS 7 2.318 3.288 -25.440 48 HA HIS 7 HA HIS 7 -0.401 3.431 -24.300 49 HB2 HIS 7 1HB HIS 7 0.532 1.270 -26.255 50 HB3 HIS 7 2HB HIS 7 -0.958 1.205 -25.329 51 HD1 HIS 7 HD1 HIS 7 0.300 2.174 -28.549 52 HD2 HIS 7 HD2 HIS 7 -2.760 3.512 -26.079 53 HE1 HIS 7 HE1 HIS 7 -1.278 3.415 -30.052 54 HE2 HIS 7 HE2 HIS 7 -3.042 4.339 -28.511 55 H HIS 8 H HIS 8 1.336 3.681 -22.547 56 HA HIS 8 HA HIS 8 1.676 1.083 -21.230 57 HB2 HIS 8 1HB HIS 8 3.945 3.045 -21.729 58 HB3 HIS 8 2HB HIS 8 3.992 1.927 -20.372 59 HD1 HIS 8 HD1 HIS 8 5.663 2.103 -23.278 60 HD2 HIS 8 HD2 HIS 8 3.114 -0.825 -21.818 61 HE1 HIS 8 HE1 HIS 8 6.287 0.008 -24.500 62 HE2 HIS 8 HE2 HIS 8 4.833 -1.781 -23.482 63 H SER 9 H SER 9 0.638 1.233 -19.383 64 HA SER 9 HA SER 9 0.939 3.595 -17.625 65 HB2 SER 9 1HB SER 9 -1.462 3.321 -16.967 66 HB3 SER 9 2HB SER 9 -1.283 3.723 -18.677 67 HG SER 9 HG SER 9 -1.946 1.771 -19.233 68 H HIS 10 H HIS 10 1.073 0.240 -18.065 69 HA HIS 10 HA HIS 10 1.526 -1.579 -16.857 70 HB2 HIS 10 1HB HIS 10 2.377 0.476 -14.794 71 HB3 HIS 10 2HB HIS 10 2.466 -1.250 -14.456 72 HD1 HIS 10 HD1 HIS 10 5.101 -0.208 -14.267 73 HD2 HIS 10 HD2 HIS 10 3.499 -1.003 -18.021 74 HE1 HIS 10 HE1 HIS 10 7.079 -0.463 -15.801 75 HE2 HIS 10 HE2 HIS 10 6.079 -1.132 -18.016 76 H MET 11 H MET 11 -0.164 -2.831 -16.509 77 HA MET 11 HA MET 11 -2.371 -1.967 -14.759 78 HB2 MET 11 1HB MET 11 -2.749 -2.721 -17.176 79 HB3 MET 11 2HB MET 11 -2.322 -4.348 -16.670 80 HG2 MET 11 1HG MET 11 -4.237 -4.415 -15.157 81 HG3 MET 11 2HG MET 11 -4.630 -2.739 -15.527 82 HE1 MET 11 3HE MET 11 -5.769 -2.989 -19.277 83 HE2 MET 11 1HE MET 11 -4.129 -2.670 -18.721 84 HE3 MET 11 2HE MET 11 -5.496 -1.917 -17.899 85 H SER 12 H SER 12 0.380 -3.254 -14.010 86 HA SER 12 HA SER 12 -0.375 -5.374 -12.205 87 HB2 SER 12 1HB SER 12 1.852 -4.857 -11.140 88 HB3 SER 12 2HB SER 12 1.978 -5.119 -12.879 89 HG SER 12 HG SER 12 2.579 -3.108 -13.143 90 H TRP 13 H TRP 13 0.473 -4.477 -9.618 91 HA TRP 13 HA TRP 13 -1.532 -2.531 -8.898 92 HB2 TRP 13 1HB TRP 13 -0.304 -3.031 -6.550 93 HB3 TRP 13 2HB TRP 13 -1.472 -4.146 -7.236 94 HD1 TRP 13 HD1 TRP 13 -0.693 -6.587 -7.569 95 HE1 TRP 13 HE1 TRP 13 1.537 -7.836 -7.461 96 HE3 TRP 13 HE3 TRP 13 2.473 -2.600 -6.989 97 HZ2 TRP 13 HZ2 TRP 13 4.265 -7.254 -7.211 98 HZ3 TRP 13 HZ3 TRP 13 4.890 -3.042 -6.845 99 HH2 TRP 13 HH2 TRP 13 5.765 -5.327 -6.951 100 H TYR 14 H TYR 14 1.350 -2.088 -10.370 101 HA TYR 14 HA TYR 14 2.202 0.127 -8.601 102 HB2 TYR 14 1HB TYR 14 3.992 -1.606 -8.719 103 HB3 TYR 14 2HB TYR 14 4.031 -1.453 -10.475 104 HD1 TYR 14 HD1 TYR 14 4.691 0.368 -7.284 105 HD2 TYR 14 HD2 TYR 14 5.247 0.398 -11.518 106 HE1 TYR 14 HE1 TYR 14 6.225 2.276 -7.070 107 HE2 TYR 14 HE2 TYR 14 6.788 2.292 -11.301 108 HH TYR 14 HH TYR 14 8.027 3.354 -8.311 109 H HIS 15 H HIS 15 1.427 1.925 -9.447 110 HA HIS 15 HA HIS 15 1.596 2.400 -12.370 111 HB2 HIS 15 1HB HIS 15 -0.357 3.735 -10.430 112 HB3 HIS 15 2HB HIS 15 -0.389 3.787 -12.189 113 HD1 HIS 15 HD1 HIS 15 -1.180 1.527 -13.405 114 HD2 HIS 15 HD2 HIS 15 -1.722 1.615 -9.282 115 HE1 HIS 15 HE1 HIS 15 -2.767 -0.351 -12.891 116 HE2 HIS 15 HE2 HIS 15 -2.964 -0.369 -10.388 117 H ARG 16 H ARG 16 3.199 3.821 -12.772 118 HA ARG 16 HA ARG 16 5.078 4.810 -11.112 119 HB2 ARG 16 1HB ARG 16 5.322 4.828 -13.527 120 HB3 ARG 16 2HB ARG 16 4.071 6.054 -13.690 121 HG2 ARG 16 1HG ARG 16 5.519 7.719 -12.597 122 HG3 ARG 16 2HG ARG 16 6.770 6.493 -12.360 123 HD2 ARG 16 1HD ARG 16 5.751 7.548 -15.023 124 HD3 ARG 16 2HD ARG 16 7.326 7.882 -14.292 125 HE ARG 16 HE ARG 16 6.481 5.464 -15.666 126 HH11 ARG 16 1HH1 ARG 16 8.956 6.922 -13.638 127 HH12 ARG 16 2HH1 ARG 16 10.116 5.675 -13.956 128 HH21 ARG 16 1HH2 ARG 16 7.999 3.839 -16.065 129 HH22 ARG 16 2HH2 ARG 16 9.561 3.914 -15.319 130 H ASP 17 H ASP 17 2.243 6.659 -12.129 131 HA ASP 17 HA ASP 17 2.184 8.201 -9.728 132 HB2 ASP 17 1HB ASP 17 3.915 9.527 -10.928 133 HB3 ASP 17 2HB ASP 17 2.821 9.745 -12.292 134 H LEU 18 H LEU 18 0.395 6.663 -10.191 135 HA LEU 18 HA LEU 18 -1.891 7.608 -11.551 136 HB2 LEU 18 1HB LEU 18 -1.757 5.350 -10.564 137 HB3 LEU 18 2HB LEU 18 -1.718 6.041 -8.953 138 HG LEU 18 HG LEU 18 -4.026 6.766 -9.107 139 HD11 LEU 18 1HD1 LEU 18 -4.077 5.784 -11.982 140 HD12 LEU 18 2HD1 LEU 18 -4.143 7.466 -11.448 141 HD13 LEU 18 3HD1 LEU 18 -5.457 6.369 -11.047 142 HD21 LEU 18 3HD2 LEU 18 -3.659 4.457 -8.438 143 HD22 LEU 18 1HD2 LEU 18 -3.763 3.924 -10.118 144 HD23 LEU 18 2HD2 LEU 18 -5.177 4.616 -9.317 145 H SER 19 H SER 19 -0.447 8.461 -8.450 146 HA SER 19 HA SER 19 -0.325 10.508 -7.426 147 HB2 SER 19 1HB SER 19 -1.220 11.857 -9.292 148 HB3 SER 19 2HB SER 19 -2.853 11.324 -8.920 149 HG SER 19 HG SER 19 -1.314 13.254 -7.708 150 H ARG 20 H ARG 20 -1.252 11.085 -5.342 151 HA ARG 20 HA ARG 20 -2.261 8.768 -4.096 152 HB2 ARG 20 1HB ARG 20 -0.797 10.422 -2.943 153 HB3 ARG 20 2HB ARG 20 -2.118 11.584 -2.946 154 HG2 ARG 20 1HG ARG 20 -3.452 9.939 -1.558 155 HG3 ARG 20 2HG ARG 20 -1.990 8.959 -1.430 156 HD2 ARG 20 1HD ARG 20 -0.836 10.844 -0.312 157 HD3 ARG 20 2HD ARG 20 -2.303 11.823 -0.447 158 HE ARG 20 HE ARG 20 -1.896 9.477 1.276 159 HH11 ARG 20 1HH1 ARG 20 -4.047 12.125 0.359 160 HH12 ARG 20 2HH1 ARG 20 -5.057 11.924 1.755 161 HH21 ARG 20 1HH2 ARG 20 -3.299 9.190 3.023 162 HH22 ARG 20 2HH2 ARG 20 -4.642 10.269 3.241 163 H ALA 21 H ALA 21 -3.841 11.852 -4.845 164 HA ALA 21 HA ALA 21 -6.361 11.351 -3.668 165 HB1 ALA 21 3HB ALA 21 -7.139 13.279 -4.978 166 HB2 ALA 21 1HB ALA 21 -5.678 13.209 -5.972 167 HB3 ALA 21 2HB ALA 21 -5.564 13.602 -4.255 168 H ALA 22 H ALA 22 -5.264 11.011 -7.044 169 HA ALA 22 HA ALA 22 -7.721 9.904 -8.017 170 HB1 ALA 22 3HB ALA 22 -6.477 9.466 -10.088 171 HB2 ALA 22 1HB ALA 22 -4.964 9.855 -9.263 172 HB3 ALA 22 2HB ALA 22 -6.184 11.105 -9.501 173 H ALA 23 H ALA 23 -4.939 8.565 -6.428 174 HA ALA 23 HA ALA 23 -5.162 5.845 -7.246 175 HB1 ALA 23 3HB ALA 23 -3.956 6.988 -4.689 176 HB2 ALA 23 1HB ALA 23 -3.085 6.701 -6.197 177 HB3 ALA 23 2HB ALA 23 -3.732 5.339 -5.278 178 H GLU 24 H GLU 24 -6.189 7.663 -4.401 179 HA GLU 24 HA GLU 24 -7.731 5.839 -3.006 180 HB2 GLU 24 1HB GLU 24 -7.080 8.049 -2.153 181 HB3 GLU 24 2HB GLU 24 -8.067 8.849 -3.369 182 HG2 GLU 24 1HG GLU 24 -10.097 7.871 -2.313 183 HG3 GLU 24 2HG GLU 24 -9.078 7.151 -1.076 184 H GLU 25 H GLU 25 -8.593 7.925 -5.710 185 HA GLU 25 HA GLU 25 -11.398 7.439 -5.708 186 HB2 GLU 25 1HB GLU 25 -9.857 9.353 -6.845 187 HB3 GLU 25 2HB GLU 25 -10.031 8.319 -8.254 188 HG2 GLU 25 1HG GLU 25 -12.274 9.589 -6.655 189 HG3 GLU 25 2HG GLU 25 -11.683 10.142 -8.216 190 H LEU 26 H LEU 26 -8.793 6.211 -7.851 191 HA LEU 26 HA LEU 26 -10.281 4.338 -9.311 192 HB2 LEU 26 1HB LEU 26 -7.352 4.731 -8.753 193 HB3 LEU 26 2HB LEU 26 -7.818 3.177 -9.405 194 HG LEU 26 HG LEU 26 -7.036 4.657 -11.184 195 HD11 LEU 26 1HD1 LEU 26 -8.714 3.006 -11.777 196 HD12 LEU 26 2HD1 LEU 26 -8.896 4.458 -12.753 197 HD13 LEU 26 3HD1 LEU 26 -10.015 4.146 -11.421 198 HD21 LEU 26 3HD2 LEU 26 -7.578 6.832 -10.255 199 HD22 LEU 26 1HD2 LEU 26 -9.307 6.528 -10.444 200 HD23 LEU 26 2HD2 LEU 26 -8.267 6.676 -11.866 201 H LEU 27 H LEU 27 -8.734 4.019 -6.142 202 HA LEU 27 HA LEU 27 -9.076 1.223 -5.777 203 HB2 LEU 27 1HB LEU 27 -8.898 3.492 -3.759 204 HB3 LEU 27 2HB LEU 27 -8.990 1.803 -3.277 205 HG LEU 27 HG LEU 27 -6.733 3.109 -4.851 206 HD11 LEU 27 1HD1 LEU 27 -6.697 3.736 -2.502 207 HD12 LEU 27 2HD1 LEU 27 -5.352 2.665 -2.880 208 HD13 LEU 27 3HD1 LEU 27 -6.759 2.039 -2.016 209 HD21 LEU 27 3HD2 LEU 27 -7.011 0.216 -3.999 210 HD22 LEU 27 1HD2 LEU 27 -5.550 0.951 -4.667 211 HD23 LEU 27 2HD2 LEU 27 -7.007 0.839 -5.649 212 H ALA 28 H ALA 28 -11.025 4.017 -4.769 213 HA ALA 28 HA ALA 28 -13.095 2.647 -3.452 214 HB1 ALA 28 3HB ALA 28 -12.623 5.046 -3.128 215 HB2 ALA 28 1HB ALA 28 -14.319 4.777 -3.542 216 HB3 ALA 28 2HB ALA 28 -13.196 5.383 -4.761 217 H ARG 29 H ARG 29 -12.785 3.695 -6.793 218 HA ARG 29 HA ARG 29 -15.468 3.196 -7.561 219 HB2 ARG 29 1HB ARG 29 -13.990 4.833 -8.685 220 HB3 ARG 29 2HB ARG 29 -12.962 3.523 -9.258 221 HG2 ARG 29 1HG ARG 29 -14.726 2.682 -10.687 222 HG3 ARG 29 2HG ARG 29 -15.888 3.816 -9.998 223 HD2 ARG 29 1HD ARG 29 -14.654 5.706 -10.965 224 HD3 ARG 29 2HD ARG 29 -13.437 4.598 -11.611 225 HE ARG 29 HE ARG 29 -15.457 3.564 -12.833 226 HH11 ARG 29 1HH1 ARG 29 -15.127 7.017 -12.238 227 HH12 ARG 29 2HH1 ARG 29 -16.048 7.460 -13.641 228 HH21 ARG 29 1HH2 ARG 29 -16.609 4.145 -14.670 229 HH22 ARG 29 2HH2 ARG 29 -16.882 5.822 -15.026 230 H ALA 30 H ALA 30 -12.456 1.308 -7.771 231 HA ALA 30 HA ALA 30 -13.749 -0.858 -9.256 232 HB1 ALA 30 3HB ALA 30 -11.500 -1.827 -9.400 233 HB2 ALA 30 1HB ALA 30 -10.880 -0.582 -8.310 234 HB3 ALA 30 2HB ALA 30 -11.498 -0.136 -9.901 235 H GLY 31 H GLY 31 -11.880 -0.705 -6.143 236 HA2 GLY 31 1HA GLY 31 -12.705 -3.480 -5.572 237 HA3 GLY 31 2HA GLY 31 -11.273 -2.672 -4.966 238 H ARG 32 H ARG 32 -12.423 -0.322 -4.108 239 HA ARG 32 HA ARG 32 -13.033 0.743 -2.271 240 HB2 ARG 32 1HB ARG 32 -15.378 0.781 -1.681 241 HB3 ARG 32 2HB ARG 32 -15.212 0.687 -3.422 242 HG2 ARG 32 1HG ARG 32 -15.624 -1.921 -2.010 243 HG3 ARG 32 2HG ARG 32 -16.979 -0.798 -1.963 244 HD2 ARG 32 1HD ARG 32 -15.615 -1.718 -4.523 245 HD3 ARG 32 2HD ARG 32 -17.078 -2.453 -3.848 246 HE ARG 32 HE ARG 32 -17.696 0.198 -4.057 247 HH11 ARG 32 1HH1 ARG 32 -16.482 -2.132 -6.428 248 HH12 ARG 32 2HH1 ARG 32 -17.382 -1.424 -7.730 249 HH21 ARG 32 1HH2 ARG 32 -18.825 1.091 -5.751 250 HH22 ARG 32 2HH2 ARG 32 -18.723 0.407 -7.345 251 H ASP 33 H ASP 33 -11.628 -1.902 -1.505 252 HA ASP 33 HA ASP 33 -12.078 -2.182 1.191 253 HB2 ASP 33 1HB ASP 33 -13.876 -3.977 -0.467 254 HB3 ASP 33 2HB ASP 33 -13.160 -4.652 0.988 255 H GLY 34 H GLY 34 -10.108 -2.963 1.784 256 HA2 GLY 34 1HA GLY 34 -8.122 -4.052 1.765 257 HA3 GLY 34 2HA GLY 34 -8.903 -5.323 0.837 258 H SER 35 H SER 35 -8.984 -2.201 -0.582 259 HA SER 35 HA SER 35 -7.634 -3.256 -2.915 260 HB2 SER 35 1HB SER 35 -9.005 -0.570 -2.489 261 HB3 SER 35 2HB SER 35 -8.643 -1.348 -4.033 262 HG SER 35 HG SER 35 -10.019 -3.114 -2.724 263 H PHE 36 H PHE 36 -5.531 -2.781 -3.414 264 HA PHE 36 HA PHE 36 -4.271 -0.386 -2.246 265 HB2 PHE 36 1HB PHE 36 -2.312 -1.661 -1.559 266 HB3 PHE 36 2HB PHE 36 -3.744 -2.329 -0.792 267 HD1 PHE 36 HD2 PHE 36 -4.719 -4.511 -1.692 268 HD2 PHE 36 HD1 PHE 36 -0.910 -3.034 -2.967 269 HE1 PHE 36 HE2 PHE 36 -4.117 -6.744 -2.515 270 HE2 PHE 36 HE1 PHE 36 -0.331 -5.274 -3.793 271 HZ PHE 36 HZ PHE 36 -1.925 -7.130 -3.567 272 H LEU 37 H LEU 37 -2.504 0.402 -3.347 273 HA LEU 37 HA LEU 37 -1.212 -1.020 -5.475 274 HB2 LEU 37 1HB LEU 37 -1.591 0.710 -7.230 275 HB3 LEU 37 2HB LEU 37 -3.050 -0.136 -6.761 276 HG LEU 37 HG LEU 37 -3.405 1.989 -5.182 277 HD11 LEU 37 1HD1 LEU 37 -2.658 4.084 -6.199 278 HD12 LEU 37 2HD1 LEU 37 -1.697 3.189 -7.376 279 HD13 LEU 37 3HD1 LEU 37 -1.296 3.111 -5.657 280 HD21 LEU 37 3HD2 LEU 37 -3.980 2.057 -8.154 281 HD22 LEU 37 1HD2 LEU 37 -4.792 3.011 -6.908 282 HD23 LEU 37 2HD2 LEU 37 -4.957 1.257 -6.919 283 H VAL 38 H VAL 38 0.687 0.190 -6.263 284 HA VAL 38 HA VAL 38 1.890 1.896 -4.185 285 HB VAL 38 HB VAL 38 3.393 -0.049 -6.010 286 HG11 VAL 38 1HG1 VAL 38 5.288 0.292 -4.447 287 HG12 VAL 38 2HG1 VAL 38 4.310 1.427 -3.514 288 HG13 VAL 38 3HG1 VAL 38 4.771 1.821 -5.171 289 HG21 VAL 38 3HG2 VAL 38 3.638 -1.567 -4.058 290 HG22 VAL 38 1HG2 VAL 38 1.947 -1.393 -4.541 291 HG23 VAL 38 2HG2 VAL 38 2.557 -0.532 -3.125 292 H ARG 39 H ARG 39 3.260 3.548 -4.981 293 HA ARG 39 HA ARG 39 3.475 4.111 -7.831 294 HB2 ARG 39 1HB ARG 39 2.596 6.451 -7.539 295 HB3 ARG 39 2HB ARG 39 1.356 5.221 -7.338 296 HG2 ARG 39 1HG ARG 39 1.426 5.475 -4.910 297 HG3 ARG 39 2HG ARG 39 2.758 6.624 -5.037 298 HD2 ARG 39 1HD ARG 39 0.014 7.086 -6.259 299 HD3 ARG 39 2HD ARG 39 0.479 7.670 -4.659 300 HE ARG 39 HE ARG 39 1.746 8.513 -7.214 301 HH11 ARG 39 1HH1 ARG 39 0.891 9.259 -3.888 302 HH12 ARG 39 2HH1 ARG 39 1.373 10.918 -4.004 303 HH21 ARG 39 1HH2 ARG 39 2.370 10.699 -7.354 304 HH22 ARG 39 2HH2 ARG 39 2.198 11.737 -5.973 305 H ASP 40 H ASP 40 4.713 6.307 -8.007 306 HA ASP 40 HA ASP 40 7.101 6.184 -6.329 307 HB2 ASP 40 1HB ASP 40 7.212 6.511 -8.840 308 HB3 ASP 40 2HB ASP 40 6.436 8.072 -8.635 309 H SER 41 H SER 41 7.461 7.549 -4.644 310 HA SER 41 HA SER 41 5.362 8.962 -3.444 311 HB2 SER 41 1HB SER 41 7.248 7.993 -2.148 312 HB3 SER 41 2HB SER 41 8.330 9.223 -2.794 313 HG SER 41 HG SER 41 7.012 9.418 -0.616 314 H GLU 42 H GLU 42 4.907 11.073 -3.145 315 HA GLU 42 HA GLU 42 6.109 13.047 -5.004 316 HB2 GLU 42 1HB GLU 42 3.655 12.418 -5.292 317 HB3 GLU 42 2HB GLU 42 3.349 13.120 -3.707 318 HG2 GLU 42 1HG GLU 42 4.129 15.318 -4.567 319 HG3 GLU 42 2HG GLU 42 4.369 14.596 -6.160 320 H SER 43 H SER 43 6.282 12.033 -1.928 321 HA SER 43 HA SER 43 6.387 14.668 -0.611 322 HB2 SER 43 1HB SER 43 4.883 12.919 0.374 323 HB3 SER 43 2HB SER 43 6.280 11.868 0.610 324 HG SER 43 HG SER 43 5.373 13.684 2.245 325 H VAL 44 H VAL 44 8.200 11.648 -1.184 326 HA VAL 44 HA VAL 44 10.744 12.980 -0.434 327 HB VAL 44 HB VAL 44 10.071 10.046 0.110 328 HG11 VAL 44 1HG1 VAL 44 12.197 10.006 1.382 329 HG12 VAL 44 2HG1 VAL 44 12.513 11.680 0.914 330 HG13 VAL 44 3HG1 VAL 44 12.468 10.413 -0.314 331 HG21 VAL 44 3HG2 VAL 44 10.250 12.323 2.121 332 HG22 VAL 44 1HG2 VAL 44 10.044 10.614 2.516 333 HG23 VAL 44 2HG2 VAL 44 8.778 11.478 1.641 334 H ALA 45 H ALA 45 11.936 13.158 -2.234 335 HA ALA 45 HA ALA 45 11.455 11.762 -4.672 336 HB1 ALA 45 3HB ALA 45 12.311 14.081 -4.612 337 HB2 ALA 45 1HB ALA 45 13.381 13.028 -5.540 338 HB3 ALA 45 2HB ALA 45 13.822 13.513 -3.901 339 H GLY 46 H GLY 46 12.277 9.860 -5.372 340 HA2 GLY 46 1HA GLY 46 13.751 8.065 -5.608 341 HA3 GLY 46 2HA GLY 46 14.767 8.710 -4.324 342 H ALA 47 H ALA 47 11.538 8.714 -3.371 343 HA ALA 47 HA ALA 47 11.626 5.965 -2.245 344 HB1 ALA 47 3HB ALA 47 11.740 7.745 -0.540 345 HB2 ALA 47 1HB ALA 47 10.244 6.817 -0.406 346 HB3 ALA 47 2HB ALA 47 10.224 8.423 -1.138 347 H PHE 48 H PHE 48 9.273 5.328 -1.629 348 HA PHE 48 HA PHE 48 7.415 5.719 -3.898 349 HB2 PHE 48 1HB PHE 48 7.897 3.087 -2.418 350 HB3 PHE 48 2HB PHE 48 6.809 3.333 -3.780 351 HD1 PHE 48 HD1 PHE 48 7.789 3.904 -6.048 352 HD2 PHE 48 HD2 PHE 48 10.223 2.617 -2.771 353 HE1 PHE 48 HE1 PHE 48 9.621 3.384 -7.604 354 HE2 PHE 48 HE2 PHE 48 12.048 2.100 -4.335 355 HZ PHE 48 HZ PHE 48 11.750 2.489 -6.749 356 H ALA 49 H ALA 49 5.177 5.099 -3.354 357 HA ALA 49 HA ALA 49 4.397 5.320 -0.516 358 HB1 ALA 49 3HB ALA 49 2.579 6.880 -1.132 359 HB2 ALA 49 1HB ALA 49 3.141 6.890 -2.808 360 HB3 ALA 49 2HB ALA 49 4.156 7.563 -1.531 361 H LEU 50 H LEU 50 2.442 4.296 -0.031 362 HA LEU 50 HA LEU 50 1.315 2.394 -2.007 363 HB2 LEU 50 1HB LEU 50 2.756 1.116 -0.501 364 HB3 LEU 50 2HB LEU 50 2.093 1.925 0.907 365 HG LEU 50 HG LEU 50 -0.090 0.755 0.516 366 HD11 LEU 50 1HD1 LEU 50 -0.233 -1.151 -1.016 367 HD12 LEU 50 2HD1 LEU 50 1.374 -0.781 -1.650 368 HD13 LEU 50 3HD1 LEU 50 0.042 0.355 -1.889 369 HD21 LEU 50 3HD2 LEU 50 0.633 -1.461 1.303 370 HD22 LEU 50 1HD2 LEU 50 1.526 -0.170 2.112 371 HD23 LEU 50 2HD2 LEU 50 2.294 -1.103 0.822 372 H CYS 51 H CYS 51 -0.860 2.733 -2.195 373 HA CYS 51 HA CYS 51 -2.293 4.182 -0.038 374 HB2 CYS 51 1HB CYS 51 -2.110 5.408 -2.243 375 HB3 CYS 51 2HB CYS 51 -3.014 4.105 -3.008 376 HG CYS 51 HG CYS 51 -5.302 5.163 -2.571 377 H VAL 52 H VAL 52 -3.866 3.027 0.968 378 HA VAL 52 HA VAL 52 -4.974 0.589 -0.292 379 HB VAL 52 HB VAL 52 -4.166 0.716 2.657 380 HG11 VAL 52 1HG1 VAL 52 -5.136 -1.642 0.974 381 HG12 VAL 52 2HG1 VAL 52 -6.057 -0.814 2.234 382 HG13 VAL 52 3HG1 VAL 52 -4.613 -1.734 2.660 383 HG21 VAL 52 3HG2 VAL 52 -2.126 0.696 1.285 384 HG22 VAL 52 1HG2 VAL 52 -2.704 -0.717 0.401 385 HG23 VAL 52 2HG2 VAL 52 -2.319 -0.845 2.118 386 H LEU 53 H LEU 53 -7.144 0.194 0.239 387 HA LEU 53 HA LEU 53 -8.575 2.187 1.863 388 HB2 LEU 53 1HB LEU 53 -8.855 2.820 -0.474 389 HB3 LEU 53 2HB LEU 53 -9.253 1.172 -0.920 390 HG LEU 53 HG LEU 53 -11.392 1.332 0.326 391 HD11 LEU 53 1HD1 LEU 53 -12.224 3.463 1.198 392 HD12 LEU 53 2HD1 LEU 53 -10.671 4.224 0.846 393 HD13 LEU 53 3HD1 LEU 53 -10.772 2.951 2.062 394 HD21 LEU 53 3HD2 LEU 53 -10.998 3.576 -1.665 395 HD22 LEU 53 1HD2 LEU 53 -12.541 2.857 -1.197 396 HD23 LEU 53 2HD2 LEU 53 -11.343 1.885 -2.053 397 H TYR 54 H TYR 54 -10.343 1.389 2.919 398 HA TYR 54 HA TYR 54 -11.457 -1.193 2.571 399 HB2 TYR 54 1HB TYR 54 -9.398 -1.931 3.706 400 HB3 TYR 54 2HB TYR 54 -9.686 -0.796 5.021 401 HD1 TYR 54 HD1 TYR 54 -11.273 -3.734 3.288 402 HD2 TYR 54 HD2 TYR 54 -10.858 -1.534 6.928 403 HE1 TYR 54 HE1 TYR 54 -12.542 -5.475 4.489 404 HE2 TYR 54 HE2 TYR 54 -12.116 -3.264 8.123 405 HH TYR 54 HH TYR 54 -13.687 -5.045 7.701 406 H GLN 55 H GLN 55 -13.499 -0.981 3.157 407 HA GLN 55 HA GLN 55 -15.440 0.126 3.643 408 HB2 GLN 55 1HB GLN 55 -14.753 -1.427 5.624 409 HB3 GLN 55 2HB GLN 55 -14.435 0.048 6.520 410 HG2 GLN 55 1HG GLN 55 -17.136 -0.529 5.256 411 HG3 GLN 55 2HG GLN 55 -16.714 -1.113 6.859 412 HE21 GLN 55 2HE2 GLN 55 -18.787 0.828 5.903 413 HE22 GLN 55 1HE2 GLN 55 -18.550 2.244 6.863 414 H LYS 56 H LYS 56 -14.622 2.056 2.501 415 HA LYS 56 HA LYS 56 -14.269 4.247 2.163 416 HB2 LYS 56 1HB LYS 56 -15.874 5.758 3.179 417 HB3 LYS 56 2HB LYS 56 -16.650 4.224 2.822 418 HG2 LYS 56 1HG LYS 56 -16.499 3.615 5.240 419 HG3 LYS 56 2HG LYS 56 -15.760 5.179 5.572 420 HD2 LYS 56 1HD LYS 56 -18.128 5.248 6.152 421 HD3 LYS 56 2HD LYS 56 -17.821 6.319 4.782 422 HE2 LYS 56 1HE LYS 56 -18.752 4.661 3.240 423 HE3 LYS 56 2HE LYS 56 -18.947 3.499 4.554 424 HZ1 LYS 56 3HZ LYS 56 -20.327 6.113 4.364 425 HZ2 LYS 56 1HZ LYS 56 -20.536 4.964 5.582 426 HZ3 LYS 56 2HZ LYS 56 -21.008 4.612 3.999 427 H HIS 57 H HIS 57 -12.300 3.071 3.990 428 HA HIS 57 HA HIS 57 -11.274 5.551 5.255 429 HB2 HIS 57 1HB HIS 57 -12.191 4.016 7.035 430 HB3 HIS 57 2HB HIS 57 -11.037 2.785 6.532 431 HD1 HIS 57 HD1 HIS 57 -8.934 2.779 7.893 432 HD2 HIS 57 HD2 HIS 57 -10.705 6.538 7.815 433 HE1 HIS 57 HE1 HIS 57 -7.503 4.236 9.354 434 HE2 HIS 57 HE2 HIS 57 -8.484 6.535 9.123 435 H VAL 58 H VAL 58 -9.444 6.060 4.352 436 HA VAL 58 HA VAL 58 -7.813 4.111 2.864 437 HB VAL 58 HB VAL 58 -7.705 7.168 2.767 438 HG11 VAL 58 1HG1 VAL 58 -5.613 6.137 1.955 439 HG12 VAL 58 2HG1 VAL 58 -6.500 6.857 0.606 440 HG13 VAL 58 3HG1 VAL 58 -6.527 5.107 0.850 441 HG21 VAL 58 3HG2 VAL 58 -9.927 6.344 2.054 442 HG22 VAL 58 1HG2 VAL 58 -9.152 5.292 0.861 443 HG23 VAL 58 2HG2 VAL 58 -9.029 7.045 0.712 444 H HIS 59 H HIS 59 -5.647 3.957 3.225 445 HA HIS 59 HA HIS 59 -4.306 5.469 5.329 446 HB2 HIS 59 1HB HIS 59 -5.163 3.204 6.292 447 HB3 HIS 59 2HB HIS 59 -3.978 2.432 5.246 448 HD1 HIS 59 HD1 HIS 59 -4.286 3.193 8.602 449 HD2 HIS 59 HD2 HIS 59 -1.268 4.000 5.867 450 HE1 HIS 59 HE1 HIS 59 -2.211 3.508 9.973 451 HE2 HIS 59 HE2 HIS 59 -0.373 3.861 8.290 452 H THR 60 H THR 60 -2.525 6.294 4.366 453 HA THR 60 HA THR 60 -1.381 4.925 2.007 454 HB THR 60 HB THR 60 -1.075 7.850 2.830 455 HG1 THR 60 HG1 THR 60 -3.043 6.535 1.432 456 HG21 THR 60 3HG2 THR 60 0.819 7.059 1.456 457 HG22 THR 60 1HG2 THR 60 -0.198 8.175 0.537 458 HG23 THR 60 2HG2 THR 60 -0.308 6.438 0.248 459 H TYR 61 H TYR 61 0.430 3.835 2.446 460 HA TYR 61 HA TYR 61 2.008 4.348 4.852 461 HB2 TYR 61 1HB TYR 61 2.142 1.978 2.915 462 HB3 TYR 61 2HB TYR 61 2.910 2.092 4.492 463 HD1 TYR 61 HD2 TYR 61 -0.454 1.978 2.846 464 HD2 TYR 61 HD1 TYR 61 1.779 1.213 6.413 465 HE1 TYR 61 HE2 TYR 61 -2.410 0.888 3.841 466 HE2 TYR 61 HE1 TYR 61 -0.187 0.111 7.398 467 HH TYR 61 HH TYR 61 -2.982 -0.667 5.538 468 H ARG 62 H ARG 62 3.728 5.683 4.451 469 HA ARG 62 HA ARG 62 4.990 6.160 1.962 470 HB2 ARG 62 1HB ARG 62 6.038 6.455 4.797 471 HB3 ARG 62 2HB ARG 62 6.890 7.036 3.372 472 HG2 ARG 62 1HG ARG 62 5.054 8.592 2.880 473 HG3 ARG 62 2HG ARG 62 4.155 7.988 4.279 474 HD2 ARG 62 1HD ARG 62 6.878 9.339 4.402 475 HD3 ARG 62 2HD ARG 62 5.340 10.144 4.726 476 HE ARG 62 HE ARG 62 6.596 8.025 6.374 477 HH11 ARG 62 1HH1 ARG 62 4.238 10.627 6.077 478 HH12 ARG 62 2HH1 ARG 62 3.847 10.627 7.766 479 HH21 ARG 62 1HH2 ARG 62 6.035 8.012 8.583 480 HH22 ARG 62 2HH2 ARG 62 4.863 9.141 9.178 481 H ILE 63 H ILE 63 7.537 5.476 1.675 482 HA ILE 63 HA ILE 63 8.090 2.841 2.415 483 HB ILE 63 HB ILE 63 7.496 3.238 -0.576 484 HG12 ILE 63 1HG1 ILE 63 6.093 1.306 1.339 485 HG13 ILE 63 2HG1 ILE 63 5.392 2.806 0.734 486 HG21 ILE 63 1HG2 ILE 63 8.605 0.793 0.863 487 HG22 ILE 63 2HG2 ILE 63 9.508 1.877 -0.198 488 HG23 ILE 63 3HG2 ILE 63 8.211 0.884 -0.859 489 HD11 ILE 63 3HD1 ILE 63 5.441 1.913 -1.545 490 HD12 ILE 63 1HD1 ILE 63 4.542 0.865 -0.452 491 HD13 ILE 63 2HD1 ILE 63 6.171 0.418 -0.948 492 H LEU 64 H LEU 64 10.131 3.593 2.983 493 HA LEU 64 HA LEU 64 11.589 5.349 1.105 494 HB2 LEU 64 1HB LEU 64 11.142 5.667 4.093 495 HB3 LEU 64 2HB LEU 64 12.665 6.191 3.408 496 HG LEU 64 HG LEU 64 11.379 7.736 1.876 497 HD11 LEU 64 1HD1 LEU 64 9.180 6.726 1.909 498 HD12 LEU 64 2HD1 LEU 64 9.087 8.388 2.483 499 HD13 LEU 64 3HD1 LEU 64 9.015 7.052 3.637 500 HD21 LEU 64 3HD2 LEU 64 11.092 8.245 4.858 501 HD22 LEU 64 1HD2 LEU 64 11.051 9.468 3.581 502 HD23 LEU 64 2HD2 LEU 64 12.529 8.558 3.880 503 HA PRO 65 HA PRO 65 14.933 2.291 1.379 504 HB2 PRO 65 1HB PRO 65 16.608 4.754 1.965 505 HB3 PRO 65 2HB PRO 65 16.969 3.389 0.892 506 HG2 PRO 65 1HG PRO 65 16.078 5.671 -0.146 507 HG3 PRO 65 2HG PRO 65 15.462 4.123 -0.762 508 HD2 PRO 65 1HD PRO 65 14.121 6.122 1.041 509 HD3 PRO 65 2HD PRO 65 13.412 5.073 -0.207 510 H ASP 66 H ASP 66 15.447 4.943 3.710 511 HA ASP 66 HA ASP 66 15.931 5.044 5.933 512 HB2 ASP 66 1HB ASP 66 13.466 4.741 5.881 513 HB3 ASP 66 2HB ASP 66 13.675 2.999 5.968 514 H GLY 67 H GLY 67 18.061 4.056 5.545 515 HA2 GLY 67 1HA GLY 67 19.106 2.393 7.337 516 HA3 GLY 67 2HA GLY 67 18.409 1.221 6.222 517 H GLU 68 H GLU 68 19.007 1.537 3.849 518 HA GLU 68 HA GLU 68 21.151 2.743 2.786 519 HB2 GLU 68 1HB GLU 68 23.070 1.170 2.915 520 HB3 GLU 68 2HB GLU 68 22.676 1.859 4.482 521 HG2 GLU 68 1HG GLU 68 21.626 -0.204 5.209 522 HG3 GLU 68 2HG GLU 68 21.809 -0.908 3.602 523 H ASP 69 H ASP 69 19.444 -0.380 3.075 524 HA ASP 69 HA ASP 69 20.131 -1.058 0.246 525 HB2 ASP 69 1HB ASP 69 21.686 -2.191 1.813 526 HB3 ASP 69 2HB ASP 69 20.324 -2.919 2.658 527 H PHE 70 H PHE 70 17.587 -0.786 2.420 528 HA PHE 70 HA PHE 70 15.922 -2.917 1.203 529 HB2 PHE 70 1HB PHE 70 15.910 -1.955 4.105 530 HB3 PHE 70 2HB PHE 70 14.773 -3.112 3.425 531 HD1 PHE 70 HD1 PHE 70 15.504 -5.398 2.824 532 HD2 PHE 70 HD2 PHE 70 18.197 -2.641 4.680 533 HE1 PHE 70 HE1 PHE 70 17.032 -7.246 3.365 534 HE2 PHE 70 HE2 PHE 70 19.721 -4.496 5.211 535 HZ PHE 70 HZ PHE 70 19.143 -6.796 4.551 536 H LEU 71 H LEU 71 13.608 -2.471 1.312 537 HA LEU 71 HA LEU 71 12.860 0.383 1.167 538 HB2 LEU 71 1HB LEU 71 11.330 -2.036 0.111 539 HB3 LEU 71 2HB LEU 71 10.794 -0.369 0.014 540 HG LEU 71 HG LEU 71 12.962 0.025 -1.395 541 HD11 LEU 71 1HD1 LEU 71 13.753 -1.901 -2.689 542 HD12 LEU 71 2HD1 LEU 71 12.755 -2.981 -1.709 543 HD13 LEU 71 3HD1 LEU 71 14.088 -2.090 -0.968 544 HD21 LEU 71 3HD2 LEU 71 10.661 -1.564 -2.571 545 HD22 LEU 71 1HD2 LEU 71 11.801 -0.561 -3.474 546 HD23 LEU 71 2HD2 LEU 71 10.698 0.183 -2.319 547 H ALA 72 H ALA 72 12.125 1.030 3.067 548 HA ALA 72 HA ALA 72 10.896 -0.804 4.993 549 HB1 ALA 72 3HB ALA 72 12.835 0.510 5.762 550 HB2 ALA 72 1HB ALA 72 11.379 0.960 6.654 551 HB3 ALA 72 2HB ALA 72 11.994 2.012 5.375 552 H VAL 73 H VAL 73 8.802 -0.708 5.391 553 HA VAL 73 HA VAL 73 7.144 1.360 4.079 554 HB VAL 73 HB VAL 73 6.144 -1.209 5.398 555 HG11 VAL 73 1HG1 VAL 73 4.113 -0.836 4.025 556 HG12 VAL 73 2HG1 VAL 73 4.801 0.659 3.389 557 HG13 VAL 73 3HG1 VAL 73 4.414 0.526 5.106 558 HG21 VAL 73 3HG2 VAL 73 6.085 -2.234 3.159 559 HG22 VAL 73 1HG2 VAL 73 7.736 -1.799 3.611 560 HG23 VAL 73 2HG2 VAL 73 6.843 -0.799 2.461 561 H GLN 74 H GLN 74 5.850 2.706 5.258 562 HA GLN 74 HA GLN 74 6.484 2.939 8.121 563 HB2 GLN 74 1HB GLN 74 5.594 4.940 6.008 564 HB3 GLN 74 2HB GLN 74 5.414 5.296 7.716 565 HG2 GLN 74 1HG GLN 74 7.413 6.336 6.795 566 HG3 GLN 74 2HG GLN 74 7.824 5.171 8.045 567 HE21 GLN 74 2HE2 GLN 74 9.033 3.335 7.479 568 HE22 GLN 74 1HE2 GLN 74 9.785 3.155 5.934 569 H THR 75 H THR 75 5.052 1.319 8.739 570 HA THR 75 HA THR 75 2.246 1.338 8.206 571 HB THR 75 HB THR 75 2.194 -0.248 10.262 572 HG1 THR 75 HG1 THR 75 4.345 -0.965 10.905 573 HG21 THR 75 3HG2 THR 75 3.292 -2.109 9.063 574 HG22 THR 75 1HG2 THR 75 4.133 -0.960 8.013 575 HG23 THR 75 2HG2 THR 75 2.377 -1.114 7.932 576 H SER 76 H SER 76 3.928 1.951 11.302 577 HA SER 76 HA SER 76 3.110 4.553 11.829 578 HB2 SER 76 1HB SER 76 0.785 3.614 11.940 579 HB3 SER 76 2HB SER 76 1.294 2.511 13.212 580 HG SER 76 HG SER 76 1.375 4.138 14.616 581 H GLN 77 H GLN 77 3.363 5.077 14.245 582 HA GLN 77 HA GLN 77 5.561 3.794 15.534 583 HB2 GLN 77 1HB GLN 77 4.836 6.210 15.862 584 HB3 GLN 77 2HB GLN 77 3.436 5.627 16.757 585 HG2 GLN 77 1HG GLN 77 4.985 4.609 18.431 586 HG3 GLN 77 2HG GLN 77 6.350 5.294 17.551 587 HE21 GLN 77 2HE2 GLN 77 5.529 5.748 20.308 588 HE22 GLN 77 1HE2 GLN 77 5.259 7.449 20.464 589 H GLY 78 H GLY 78 5.261 2.768 17.902 590 HA2 GLY 78 1HA GLY 78 4.472 1.034 19.135 591 HA3 GLY 78 2HA GLY 78 2.904 1.230 18.371 592 H VAL 79 H VAL 79 2.770 0.399 16.113 593 HA VAL 79 HA VAL 79 3.529 -2.342 15.920 594 HB VAL 79 HB VAL 79 2.554 -2.302 13.623 595 HG11 VAL 79 1HG1 VAL 79 0.243 -1.709 14.265 596 HG12 VAL 79 2HG1 VAL 79 0.852 -0.847 15.681 597 HG13 VAL 79 3HG1 VAL 79 1.060 -2.596 15.556 598 HG21 VAL 79 3HG2 VAL 79 3.303 -0.081 12.875 599 HG22 VAL 79 1HG2 VAL 79 2.245 0.699 14.058 600 HG23 VAL 79 2HG2 VAL 79 1.554 -0.216 12.717 601 HA PRO 80 HA PRO 80 7.627 -1.966 14.250 602 HB2 PRO 80 1HB PRO 80 8.017 -4.370 13.034 603 HB3 PRO 80 2HB PRO 80 7.819 -4.223 14.788 604 HG2 PRO 80 1HG PRO 80 5.747 -4.958 12.707 605 HG3 PRO 80 2HG PRO 80 6.112 -5.766 14.250 606 HD2 PRO 80 1HD PRO 80 4.051 -4.004 13.997 607 HD3 PRO 80 2HD PRO 80 4.967 -4.163 15.511 608 H VAL 81 H VAL 81 8.538 -0.870 12.547 609 HA VAL 81 HA VAL 81 7.447 -0.656 9.946 610 HB VAL 81 HB VAL 81 10.323 -0.143 10.888 611 HG11 VAL 81 1HG1 VAL 81 10.551 1.317 8.899 612 HG12 VAL 81 2HG1 VAL 81 8.931 0.864 8.368 613 HG13 VAL 81 3HG1 VAL 81 10.210 -0.349 8.428 614 HG21 VAL 81 3HG2 VAL 81 7.999 1.816 10.666 615 HG22 VAL 81 1HG2 VAL 81 9.662 2.237 11.085 616 HG23 VAL 81 2HG2 VAL 81 8.714 1.215 12.164 617 H ARG 82 H ARG 82 7.413 -2.231 8.485 618 HA ARG 82 HA ARG 82 9.322 -4.487 8.629 619 HB2 ARG 82 1HB ARG 82 6.747 -4.799 8.494 620 HB3 ARG 82 2HB ARG 82 6.885 -4.305 6.817 621 HG2 ARG 82 1HG ARG 82 6.896 -6.645 6.720 622 HG3 ARG 82 2HG ARG 82 8.596 -6.203 6.544 623 HD2 ARG 82 1HD ARG 82 8.440 -8.081 8.052 624 HD3 ARG 82 2HD ARG 82 8.899 -6.659 9.005 625 HE ARG 82 HE ARG 82 6.093 -6.902 8.994 626 HH11 ARG 82 1HH1 ARG 82 8.857 -8.548 10.383 627 HH12 ARG 82 2HH1 ARG 82 7.953 -9.169 11.724 628 HH21 ARG 82 1HH2 ARG 82 4.920 -7.723 10.749 629 HH22 ARG 82 2HH2 ARG 82 5.727 -8.704 11.932 630 H ARG 83 H ARG 83 11.132 -4.306 7.360 631 HA ARG 83 HA ARG 83 11.080 -2.743 4.865 632 HB2 ARG 83 1HB ARG 83 13.551 -2.828 5.019 633 HB3 ARG 83 2HB ARG 83 12.835 -2.157 6.482 634 HG2 ARG 83 1HG ARG 83 13.135 -4.348 7.621 635 HG3 ARG 83 2HG ARG 83 13.893 -4.992 6.162 636 HD2 ARG 83 1HD ARG 83 15.690 -3.285 6.373 637 HD3 ARG 83 2HD ARG 83 14.939 -2.696 7.860 638 HE ARG 83 HE ARG 83 15.340 -5.380 8.291 639 HH11 ARG 83 1HH1 ARG 83 17.468 -2.693 7.505 640 HH12 ARG 83 2HH1 ARG 83 18.833 -3.380 8.324 641 HH21 ARG 83 1HH2 ARG 83 17.128 -6.273 9.335 642 HH22 ARG 83 2HH2 ARG 83 18.635 -5.410 9.361 643 H PHE 84 H PHE 84 11.835 -3.653 2.884 644 HA PHE 84 HA PHE 84 12.019 -6.602 2.729 645 HB2 PHE 84 1HB PHE 84 10.407 -4.759 0.905 646 HB3 PHE 84 2HB PHE 84 10.603 -6.496 0.677 647 HD1 PHE 84 HD1 PHE 84 9.713 -8.069 2.415 648 HD2 PHE 84 HD2 PHE 84 8.711 -3.916 2.372 649 HE1 PHE 84 HE1 PHE 84 7.788 -8.519 3.850 650 HE2 PHE 84 HE2 PHE 84 6.767 -4.384 3.810 651 HZ PHE 84 HZ PHE 84 6.314 -6.688 4.545 652 H GLN 85 H GLN 85 13.032 -7.433 0.864 653 HA GLN 85 HA GLN 85 15.151 -5.967 -0.340 654 HB2 GLN 85 1HB GLN 85 13.923 -8.658 -1.063 655 HB3 GLN 85 2HB GLN 85 15.370 -8.012 -1.820 656 HG2 GLN 85 1HG GLN 85 16.054 -9.609 -0.174 657 HG3 GLN 85 2HG GLN 85 16.489 -8.007 0.415 658 HE21 GLN 85 2HE2 GLN 85 14.291 -10.714 0.827 659 HE22 GLN 85 1HE2 GLN 85 13.786 -10.308 2.428 660 H THR 86 H THR 86 11.967 -7.028 -1.496 661 HA THR 86 HA THR 86 12.025 -5.049 -3.699 662 HB THR 86 HB THR 86 10.945 -6.774 -5.236 663 HG1 THR 86 HG1 THR 86 12.046 -8.808 -3.632 664 HG21 THR 86 3HG2 THR 86 13.789 -7.438 -4.375 665 HG22 THR 86 1HG2 THR 86 13.328 -6.194 -5.542 666 HG23 THR 86 2HG2 THR 86 13.034 -7.895 -5.906 667 H LEU 87 H LEU 87 9.818 -4.741 -4.694 668 HA LEU 87 HA LEU 87 7.712 -4.401 -2.877 669 HB2 LEU 87 1HB LEU 87 7.857 -4.418 -5.904 670 HB3 LEU 87 2HB LEU 87 6.308 -4.281 -5.110 671 HG LEU 87 HG LEU 87 7.039 -2.094 -5.794 672 HD11 LEU 87 1HD1 LEU 87 7.251 -2.344 -2.783 673 HD12 LEU 87 2HD1 LEU 87 5.764 -2.223 -3.730 674 HD13 LEU 87 3HD1 LEU 87 6.894 -0.874 -3.698 675 HD21 LEU 87 3HD2 LEU 87 9.449 -2.442 -5.900 676 HD22 LEU 87 1HD2 LEU 87 9.548 -2.489 -4.137 677 HD23 LEU 87 2HD2 LEU 87 9.057 -1.005 -4.962 678 H GLY 88 H GLY 88 8.474 -7.101 -5.074 679 HA2 GLY 88 1HA GLY 88 6.214 -8.682 -4.882 680 HA3 GLY 88 2HA GLY 88 7.848 -9.319 -5.006 681 H GLU 89 H GLU 89 8.945 -8.562 -2.594 682 HA GLU 89 HA GLU 89 7.928 -10.424 -0.698 683 HB2 GLU 89 1HB GLU 89 9.869 -8.106 -0.288 684 HB3 GLU 89 2HB GLU 89 9.639 -9.451 0.827 685 HG2 GLU 89 1HG GLU 89 10.752 -9.623 -1.995 686 HG3 GLU 89 2HG GLU 89 11.690 -9.710 -0.505 687 H LEU 90 H LEU 90 7.497 -6.945 -1.157 688 HA LEU 90 HA LEU 90 6.358 -6.257 1.338 689 HB2 LEU 90 1HB LEU 90 7.419 -4.714 -0.355 690 HB3 LEU 90 2HB LEU 90 5.995 -4.875 -1.355 691 HG LEU 90 HG LEU 90 5.834 -3.721 1.460 692 HD11 LEU 90 1HD1 LEU 90 6.031 -1.471 0.500 693 HD12 LEU 90 2HD1 LEU 90 6.364 -2.163 -1.088 694 HD13 LEU 90 3HD1 LEU 90 7.502 -2.408 0.238 695 HD21 LEU 90 3HD2 LEU 90 3.661 -4.325 0.459 696 HD22 LEU 90 1HD2 LEU 90 4.020 -3.327 -0.954 697 HD23 LEU 90 2HD2 LEU 90 3.808 -2.578 0.632 698 H ILE 91 H ILE 91 4.978 -7.655 -1.578 699 HA ILE 91 HA ILE 91 2.254 -6.730 -0.940 700 HB ILE 91 HB ILE 91 3.283 -8.249 -3.382 701 HG12 ILE 91 1HG1 ILE 91 4.145 -5.940 -3.349 702 HG13 ILE 91 2HG1 ILE 91 2.950 -6.107 -4.622 703 HG21 ILE 91 1HG2 ILE 91 0.519 -7.084 -2.888 704 HG22 ILE 91 2HG2 ILE 91 0.931 -8.794 -3.002 705 HG23 ILE 91 3HG2 ILE 91 1.077 -7.758 -4.422 706 HD11 ILE 91 3HD1 ILE 91 2.742 -3.988 -3.496 707 HD12 ILE 91 1HD1 ILE 91 2.523 -4.789 -1.941 708 HD13 ILE 91 2HD1 ILE 91 1.304 -4.963 -3.208 709 H GLY 92 H GLY 92 4.286 -9.604 -1.083 710 HA2 GLY 92 1HA GLY 92 2.204 -11.561 -0.786 711 HA3 GLY 92 2HA GLY 92 3.936 -11.818 -0.634 712 H LEU 93 H LEU 93 4.599 -10.098 1.446 713 HA LEU 93 HA LEU 93 3.733 -11.646 3.707 714 HB2 LEU 93 1HB LEU 93 6.080 -10.730 3.382 715 HB3 LEU 93 2HB LEU 93 5.448 -9.134 3.758 716 HG LEU 93 HG LEU 93 4.763 -9.959 6.027 717 HD11 LEU 93 1HD1 LEU 93 4.442 -12.324 5.544 718 HD12 LEU 93 2HD1 LEU 93 5.585 -12.117 6.866 719 HD13 LEU 93 3HD1 LEU 93 6.176 -12.531 5.254 720 HD21 LEU 93 3HD2 LEU 93 6.909 -8.815 5.789 721 HD22 LEU 93 1HD2 LEU 93 7.713 -10.340 5.409 722 HD23 LEU 93 2HD2 LEU 93 7.017 -10.078 7.013 723 H TYR 94 H TYR 94 3.036 -8.361 2.514 724 HA TYR 94 HA TYR 94 1.385 -7.709 4.785 725 HB2 TYR 94 1HB TYR 94 1.905 -6.379 2.130 726 HB3 TYR 94 2HB TYR 94 0.574 -5.839 3.141 727 HD1 TYR 94 HD1 TYR 94 3.773 -7.007 4.619 728 HD2 TYR 94 HD2 TYR 94 1.468 -3.611 3.435 729 HE1 TYR 94 HE1 TYR 94 5.248 -5.543 5.908 730 HE2 TYR 94 HE2 TYR 94 2.953 -2.153 4.737 731 HH TYR 94 HH TYR 94 5.928 -3.123 5.886 732 H ALA 95 H ALA 95 0.841 -9.542 1.869 733 HA ALA 95 HA ALA 95 -2.011 -9.442 1.825 734 HB1 ALA 95 3HB ALA 95 -0.698 -10.281 -0.077 735 HB2 ALA 95 1HB ALA 95 -1.866 -11.489 0.459 736 HB3 ALA 95 2HB ALA 95 -0.160 -11.658 0.886 737 H GLN 96 H GLN 96 -0.012 -10.578 4.206 738 HA GLN 96 HA GLN 96 -2.251 -12.024 5.479 739 HB2 GLN 96 1HB GLN 96 -0.714 -13.522 6.654 740 HB3 GLN 96 2HB GLN 96 -0.461 -13.681 4.920 741 HG2 GLN 96 1HG GLN 96 1.590 -12.380 5.050 742 HG3 GLN 96 2HG GLN 96 1.307 -12.024 6.755 743 HE21 GLN 96 2HE2 GLN 96 0.814 -15.205 5.272 744 HE22 GLN 96 1HE2 GLN 96 2.103 -15.989 6.110 745 HA PRO 97 HA PRO 97 -2.154 -9.230 9.142 746 HB2 PRO 97 1HB PRO 97 -1.375 -11.951 10.257 747 HB3 PRO 97 2HB PRO 97 -2.387 -10.700 11.000 748 HG2 PRO 97 1HG PRO 97 -3.468 -12.791 9.654 749 HG3 PRO 97 2HG PRO 97 -4.218 -11.182 9.642 750 HD2 PRO 97 1HD PRO 97 -2.933 -12.621 7.436 751 HD3 PRO 97 2HD PRO 97 -3.881 -11.116 7.373 752 H ASN 98 H ASN 98 -0.453 -7.912 8.929 753 HA ASN 98 HA ASN 98 2.313 -8.854 9.417 754 HB2 ASN 98 1HB ASN 98 1.971 -7.773 7.241 755 HB3 ASN 98 2HB ASN 98 1.344 -6.335 8.030 756 HD21 ASN 98 2HD2 ASN 98 2.781 -4.888 9.047 757 HD22 ASN 98 1HD2 ASN 98 4.486 -4.979 8.791 758 H GLN 99 H GLN 99 0.074 -6.211 10.235 759 HA GLN 99 HA GLN 99 -0.372 -5.393 12.360 760 HB2 GLN 99 1HB GLN 99 2.591 -5.746 12.930 761 HB3 GLN 99 2HB GLN 99 1.573 -4.688 13.904 762 HG2 GLN 99 1HG GLN 99 0.241 -6.529 14.673 763 HG3 GLN 99 2HG GLN 99 0.984 -7.636 13.517 764 HE21 GLN 99 2HE2 GLN 99 3.706 -6.802 13.935 765 HE22 GLN 99 1HE2 GLN 99 4.173 -7.325 15.507 766 H GLY 100 H GLY 100 -0.985 -3.403 11.999 767 HA2 GLY 100 1HA GLY 100 -0.519 -1.041 11.783 768 HA3 GLY 100 2HA GLY 100 0.827 -1.427 10.719 769 H LEU 101 H LEU 101 -1.178 -3.586 9.630 770 HA LEU 101 HA LEU 101 -2.191 -2.003 7.434 771 HB2 LEU 101 1HB LEU 101 -2.101 -4.970 8.037 772 HB3 LEU 101 2HB LEU 101 -3.058 -4.370 6.698 773 HG LEU 101 HG LEU 101 -0.856 -5.229 5.972 774 HD11 LEU 101 1HD1 LEU 101 -1.975 -3.538 4.626 775 HD12 LEU 101 2HD1 LEU 101 -0.226 -3.361 4.528 776 HD13 LEU 101 3HD1 LEU 101 -1.167 -2.251 5.528 777 HD21 LEU 101 3HD2 LEU 101 1.228 -4.089 6.496 778 HD22 LEU 101 1HD2 LEU 101 0.465 -4.680 7.973 779 HD23 LEU 101 2HD2 LEU 101 0.382 -2.966 7.565 780 H VAL 102 H VAL 102 -4.235 -1.495 6.967 781 HA VAL 102 HA VAL 102 -6.251 -1.301 8.876 782 HB VAL 102 HB VAL 102 -6.033 0.208 6.942 783 HG11 VAL 102 1HG1 VAL 102 -6.814 -0.408 4.679 784 HG12 VAL 102 2HG1 VAL 102 -7.023 -2.080 5.204 785 HG13 VAL 102 3HG1 VAL 102 -5.411 -1.360 5.171 786 HG21 VAL 102 3HG2 VAL 102 -8.176 0.141 8.116 787 HG22 VAL 102 1HG2 VAL 102 -8.753 -1.129 7.034 788 HG23 VAL 102 2HG2 VAL 102 -8.418 0.485 6.404 789 H CYS 103 H CYS 103 -5.710 -3.803 6.430 790 HA CYS 103 HA CYS 103 -7.439 -5.709 7.740 791 HB2 CYS 103 1HB CYS 103 -8.980 -6.028 5.822 792 HB3 CYS 103 2HB CYS 103 -9.099 -4.384 6.442 793 HG CYS 103 HG CYS 103 -7.210 -5.207 3.713 794 H ALA 104 H ALA 104 -4.649 -5.205 6.471 795 HA ALA 104 HA ALA 104 -2.987 -6.261 5.364 796 HB1 ALA 104 3HB ALA 104 -4.872 -8.613 4.933 797 HB2 ALA 104 1HB ALA 104 -3.762 -8.421 6.292 798 HB3 ALA 104 2HB ALA 104 -3.128 -8.609 4.656 799 H LEU 105 H LEU 105 -2.634 -7.280 2.984 800 HA LEU 105 HA LEU 105 -3.963 -5.434 1.131 801 HB2 LEU 105 1HB LEU 105 -1.490 -7.187 0.776 802 HB3 LEU 105 2HB LEU 105 -2.138 -6.114 -0.451 803 HG LEU 105 HG LEU 105 -0.755 -5.376 2.132 804 HD11 LEU 105 1HD1 LEU 105 -0.170 -4.602 -0.739 805 HD12 LEU 105 2HD1 LEU 105 0.697 -5.802 0.221 806 HD13 LEU 105 3HD1 LEU 105 0.753 -4.105 0.683 807 HD21 LEU 105 3HD2 LEU 105 -2.341 -3.465 0.408 808 HD22 LEU 105 1HD2 LEU 105 -1.237 -2.999 1.705 809 HD23 LEU 105 2HD2 LEU 105 -2.687 -3.926 2.075 810 H LEU 106 H LEU 106 -5.691 -6.175 0.071 811 HA LEU 106 HA LEU 106 -6.115 -9.095 -0.242 812 HB2 LEU 106 1HB LEU 106 -7.704 -7.881 1.220 813 HB3 LEU 106 2HB LEU 106 -8.117 -6.810 -0.104 814 HG LEU 106 HG LEU 106 -9.090 -8.739 -1.360 815 HD11 LEU 106 1HD1 LEU 106 -9.494 -10.881 -0.227 816 HD12 LEU 106 2HD1 LEU 106 -8.531 -10.344 1.153 817 HD13 LEU 106 3HD1 LEU 106 -7.771 -10.565 -0.426 818 HD21 LEU 106 3HD2 LEU 106 -10.281 -8.332 1.406 819 HD22 LEU 106 1HD2 LEU 106 -11.127 -8.967 -0.010 820 HD23 LEU 106 2HD2 LEU 106 -10.550 -7.301 -0.005 821 H LEU 107 H LEU 107 -7.002 -6.044 -1.979 822 HA LEU 107 HA LEU 107 -7.154 -7.602 -4.503 823 HB2 LEU 107 1HB LEU 107 -9.365 -6.750 -3.390 824 HB3 LEU 107 2HB LEU 107 -8.865 -5.158 -3.926 825 HG LEU 107 HG LEU 107 -9.294 -7.504 -5.831 826 HD11 LEU 107 1HD1 LEU 107 -11.402 -7.020 -4.708 827 HD12 LEU 107 2HD1 LEU 107 -11.472 -6.527 -6.398 828 HD13 LEU 107 3HD1 LEU 107 -11.268 -5.310 -5.134 829 HD21 LEU 107 3HD2 LEU 107 -9.109 -4.528 -6.442 830 HD22 LEU 107 1HD2 LEU 107 -9.427 -5.810 -7.616 831 HD23 LEU 107 2HD2 LEU 107 -7.870 -5.733 -6.796 832 HA PRO 108 HA PRO 108 -4.027 -4.324 -5.519 833 HB2 PRO 108 1HB PRO 108 -2.811 -5.704 -7.537 834 HB3 PRO 108 2HB PRO 108 -2.442 -6.003 -5.834 835 HG2 PRO 108 1HG PRO 108 -4.253 -7.551 -7.681 836 HG3 PRO 108 2HG PRO 108 -3.059 -8.162 -6.513 837 HD2 PRO 108 1HD PRO 108 -5.751 -8.049 -5.982 838 HD3 PRO 108 2HD PRO 108 -4.514 -7.906 -4.709 839 H VAL 109 H VAL 109 -4.834 -2.600 -6.740 840 HA VAL 109 HA VAL 109 -6.621 -3.181 -9.005 841 HB VAL 109 HB VAL 109 -6.409 -0.596 -7.365 842 HG11 VAL 109 1HG1 VAL 109 -8.594 -1.579 -9.241 843 HG12 VAL 109 2HG1 VAL 109 -7.404 -0.325 -9.608 844 HG13 VAL 109 3HG1 VAL 109 -8.612 -0.058 -8.346 845 HG21 VAL 109 3HG2 VAL 109 -8.433 -1.286 -6.123 846 HG22 VAL 109 1HG2 VAL 109 -7.108 -2.420 -5.842 847 HG23 VAL 109 2HG2 VAL 109 -8.419 -2.848 -6.943 Start of MODEL 12 1 H1 MET 1 1H MET 1 10.246 8.780 -33.526 2 H2 MET 1 2H MET 1 11.063 7.375 -33.984 3 H3 MET 1 3H MET 1 11.902 8.633 -33.223 4 HA MET 1 HA MET 1 11.464 6.766 -31.743 5 HB2 MET 1 1HB MET 1 10.007 9.363 -31.039 6 HB3 MET 1 2HB MET 1 10.460 8.120 -29.877 7 HG2 MET 1 1HG MET 1 12.826 8.510 -30.332 8 HG3 MET 1 2HG MET 1 12.413 9.690 -31.577 9 HE1 MET 1 3HE MET 1 13.977 11.910 -28.758 10 HE2 MET 1 1HE MET 1 14.080 11.407 -30.444 11 HE3 MET 1 2HE MET 1 14.467 10.264 -29.154 12 H GLY 2 H GLY 2 10.206 5.004 -31.860 13 HA2 GLY 2 1HA GLY 2 7.366 5.052 -31.485 14 HA3 GLY 2 2HA GLY 2 7.790 4.742 -33.168 15 H HIS 3 H HIS 3 8.927 3.700 -29.952 16 HA HIS 3 HA HIS 3 9.138 0.903 -30.798 17 HB2 HIS 3 1HB HIS 3 9.789 2.317 -28.169 18 HB3 HIS 3 2HB HIS 3 9.901 0.571 -28.368 19 HD1 HIS 3 HD1 HIS 3 11.943 3.499 -28.552 20 HD2 HIS 3 HD2 HIS 3 11.765 -0.103 -30.618 21 HE1 HIS 3 HE1 HIS 3 14.205 3.216 -29.606 22 HE2 HIS 3 HE2 HIS 3 14.134 0.933 -30.649 23 H HIS 4 H HIS 4 7.100 0.198 -31.144 24 HA HIS 4 HA HIS 4 4.811 0.890 -29.571 25 HB2 HIS 4 1HB HIS 4 5.234 -1.231 -31.736 26 HB3 HIS 4 2HB HIS 4 3.672 -0.904 -30.992 27 HD1 HIS 4 HD1 HIS 4 2.271 0.669 -32.279 28 HD2 HIS 4 HD2 HIS 4 6.313 1.331 -32.963 29 HE1 HIS 4 HE1 HIS 4 2.372 2.470 -34.020 30 HE2 HIS 4 HE2 HIS 4 4.817 2.683 -34.576 31 H HIS 5 H HIS 5 4.330 0.083 -27.625 32 HA HIS 5 HA HIS 5 4.845 -2.738 -26.973 33 HB2 HIS 5 1HB HIS 5 5.792 -0.347 -25.340 34 HB3 HIS 5 2HB HIS 5 5.545 -1.931 -24.608 35 HD1 HIS 5 HD1 HIS 5 7.073 -3.905 -25.593 36 HD2 HIS 5 HD2 HIS 5 8.217 -0.044 -26.619 37 HE1 HIS 5 HE1 HIS 5 9.443 -4.087 -26.387 38 HE2 HIS 5 HE2 HIS 5 10.042 -1.779 -27.174 39 H HIS 6 H HIS 6 2.480 -1.702 -27.835 40 HA HIS 6 HA HIS 6 0.671 -1.254 -25.621 41 HB2 HIS 6 1HB HIS 6 0.188 -0.444 -27.960 42 HB3 HIS 6 2HB HIS 6 0.041 -2.113 -28.491 43 HD1 HIS 6 HD1 HIS 6 -1.635 0.295 -26.058 44 HD2 HIS 6 HD2 HIS 6 -2.521 -3.084 -28.326 45 HE1 HIS 6 HE1 HIS 6 -4.112 -0.058 -25.805 46 HE2 HIS 6 HE2 HIS 6 -4.626 -2.121 -27.150 47 H HIS 7 H HIS 7 1.483 -3.001 -24.329 48 HA HIS 7 HA HIS 7 0.251 -5.613 -24.716 49 HB2 HIS 7 1HB HIS 7 2.413 -5.770 -25.962 50 HB3 HIS 7 2HB HIS 7 3.292 -5.262 -24.531 51 HD1 HIS 7 HD1 HIS 7 4.117 -7.066 -23.069 52 HD2 HIS 7 HD2 HIS 7 1.107 -8.415 -25.591 53 HE1 HIS 7 HE1 HIS 7 3.995 -9.545 -22.687 54 HE2 HIS 7 HE2 HIS 7 2.004 -10.284 -24.038 55 H HIS 8 H HIS 8 -0.142 -3.437 -22.955 56 HA HIS 8 HA HIS 8 1.063 -3.987 -20.369 57 HB2 HIS 8 1HB HIS 8 -1.249 -2.112 -21.055 58 HB3 HIS 8 2HB HIS 8 -0.298 -2.105 -19.569 59 HD1 HIS 8 HD1 HIS 8 -0.386 -0.816 -23.002 60 HD2 HIS 8 HD2 HIS 8 2.402 -1.154 -19.939 61 HE1 HIS 8 HE1 HIS 8 1.508 0.700 -23.645 62 HE2 HIS 8 HE2 HIS 8 3.042 0.663 -21.656 63 H SER 9 H SER 9 0.410 -6.182 -20.108 64 HA SER 9 HA SER 9 -2.324 -6.528 -19.066 65 HB2 SER 9 1HB SER 9 -0.987 -8.426 -21.049 66 HB3 SER 9 2HB SER 9 -2.518 -8.729 -20.221 67 HG SER 9 HG SER 9 -3.090 -6.562 -21.235 68 H HIS 10 H HIS 10 -1.382 -6.388 -17.052 69 HA HIS 10 HA HIS 10 -0.775 -8.857 -15.813 70 HB2 HIS 10 1HB HIS 10 1.464 -8.421 -14.915 71 HB3 HIS 10 2HB HIS 10 1.537 -8.389 -16.666 72 HD1 HIS 10 HD1 HIS 10 2.622 -6.537 -13.782 73 HD2 HIS 10 HD2 HIS 10 1.564 -5.571 -17.687 74 HE1 HIS 10 HE1 HIS 10 3.622 -4.272 -14.215 75 HE2 HIS 10 HE2 HIS 10 3.111 -3.798 -16.626 76 H MET 11 H MET 11 -0.879 -8.635 -13.475 77 HA MET 11 HA MET 11 -2.583 -6.504 -12.614 78 HB2 MET 11 1HB MET 11 -1.222 -8.682 -10.974 79 HB3 MET 11 2HB MET 11 -2.480 -7.604 -10.379 80 HG2 MET 11 1HG MET 11 -3.471 -9.724 -10.888 81 HG3 MET 11 2HG MET 11 -4.031 -8.564 -12.097 82 HE1 MET 11 3HE MET 11 -4.400 -11.654 -12.527 83 HE2 MET 11 1HE MET 11 -3.829 -11.879 -14.180 84 HE3 MET 11 2HE MET 11 -4.833 -10.486 -13.777 85 H SER 12 H SER 12 -1.363 -4.683 -13.021 86 HA SER 12 HA SER 12 1.062 -4.139 -11.464 87 HB2 SER 12 1HB SER 12 1.065 -3.597 -13.905 88 HB3 SER 12 2HB SER 12 -0.291 -2.502 -13.662 89 HG SER 12 HG SER 12 1.044 -1.224 -12.353 90 H TRP 13 H TRP 13 0.315 -3.736 -9.353 91 HA TRP 13 HA TRP 13 -1.781 -1.783 -8.874 92 HB2 TRP 13 1HB TRP 13 -0.569 -2.235 -6.395 93 HB3 TRP 13 2HB TRP 13 -1.945 -3.121 -7.023 94 HD1 TRP 13 HD1 TRP 13 -1.666 -5.679 -7.217 95 HE1 TRP 13 HE1 TRP 13 0.282 -7.330 -7.017 96 HE3 TRP 13 HE3 TRP 13 2.225 -2.363 -6.937 97 HZ2 TRP 13 HZ2 TRP 13 3.072 -7.273 -6.810 98 HZ3 TRP 13 HZ3 TRP 13 4.511 -3.249 -6.754 99 HH2 TRP 13 HH2 TRP 13 4.930 -5.659 -6.690 100 H TYR 14 H TYR 14 1.658 -1.975 -9.179 101 HA TYR 14 HA TYR 14 2.263 0.576 -7.951 102 HB2 TYR 14 1HB TYR 14 4.059 -1.103 -7.985 103 HB3 TYR 14 2HB TYR 14 4.018 -1.167 -9.746 104 HD1 TYR 14 HD1 TYR 14 4.703 1.163 -6.884 105 HD2 TYR 14 HD2 TYR 14 5.335 0.397 -11.041 106 HE1 TYR 14 HE1 TYR 14 6.249 3.067 -7.008 107 HE2 TYR 14 HE2 TYR 14 6.894 2.296 -11.152 108 HH TYR 14 HH TYR 14 8.035 3.905 -8.316 109 H HIS 15 H HIS 15 1.870 2.481 -8.903 110 HA HIS 15 HA HIS 15 2.150 2.777 -11.793 111 HB2 HIS 15 1HB HIS 15 -0.215 3.765 -10.143 112 HB3 HIS 15 2HB HIS 15 0.123 4.284 -11.785 113 HD1 HIS 15 HD1 HIS 15 0.343 2.012 -13.485 114 HD2 HIS 15 HD2 HIS 15 -2.077 1.789 -10.114 115 HE1 HIS 15 HE1 HIS 15 -1.275 0.145 -13.943 116 HE2 HIS 15 HE2 HIS 15 -2.632 -0.060 -11.834 117 H ARG 16 H ARG 16 4.201 3.718 -11.246 118 HA ARG 16 HA ARG 16 4.471 6.336 -10.214 119 HB2 ARG 16 1HB ARG 16 6.438 5.054 -10.906 120 HB3 ARG 16 2HB ARG 16 5.835 4.908 -12.551 121 HG2 ARG 16 1HG ARG 16 6.117 7.370 -12.834 122 HG3 ARG 16 2HG ARG 16 6.820 7.461 -11.216 123 HD2 ARG 16 1HD ARG 16 8.708 6.115 -11.895 124 HD3 ARG 16 2HD ARG 16 7.948 5.726 -13.444 125 HE ARG 16 HE ARG 16 8.560 8.537 -12.823 126 HH11 ARG 16 1HH1 ARG 16 9.288 5.690 -14.751 127 HH12 ARG 16 2HH1 ARG 16 10.240 6.570 -15.901 128 HH21 ARG 16 1HH2 ARG 16 9.824 9.663 -14.312 129 HH22 ARG 16 2HH2 ARG 16 10.551 8.820 -15.648 130 H ASP 17 H ASP 17 4.219 8.440 -11.355 131 HA ASP 17 HA ASP 17 3.375 9.928 -12.755 132 HB2 ASP 17 1HB ASP 17 4.121 8.633 -14.693 133 HB3 ASP 17 2HB ASP 17 2.691 7.624 -14.616 134 H LEU 18 H LEU 18 1.594 7.535 -11.225 135 HA LEU 18 HA LEU 18 -1.045 8.729 -11.729 136 HB2 LEU 18 1HB LEU 18 -0.865 6.252 -11.612 137 HB3 LEU 18 2HB LEU 18 -0.245 6.370 -9.976 138 HG LEU 18 HG LEU 18 -2.435 7.313 -9.224 139 HD11 LEU 18 1HD1 LEU 18 -3.171 8.356 -11.312 140 HD12 LEU 18 2HD1 LEU 18 -4.397 7.254 -10.693 141 HD13 LEU 18 3HD1 LEU 18 -3.383 6.765 -12.053 142 HD21 LEU 18 3HD2 LEU 18 -2.680 4.634 -10.632 143 HD22 LEU 18 1HD2 LEU 18 -3.731 5.231 -9.345 144 HD23 LEU 18 2HD2 LEU 18 -2.032 4.900 -9.012 145 H SER 19 H SER 19 -1.817 10.309 -10.425 146 HA SER 19 HA SER 19 -0.273 11.194 -8.117 147 HB2 SER 19 1HB SER 19 -2.729 12.398 -9.464 148 HB3 SER 19 2HB SER 19 -1.809 13.158 -8.164 149 HG SER 19 HG SER 19 0.051 12.890 -9.684 150 H ARG 20 H ARG 20 -1.424 11.716 -6.060 151 HA ARG 20 HA ARG 20 -2.492 9.338 -5.043 152 HB2 ARG 20 1HB ARG 20 -2.713 10.615 -2.889 153 HB3 ARG 20 2HB ARG 20 -1.122 10.678 -3.635 154 HG2 ARG 20 1HG ARG 20 -1.651 12.954 -4.501 155 HG3 ARG 20 2HG ARG 20 -3.203 12.885 -3.658 156 HD2 ARG 20 1HD ARG 20 -2.002 12.634 -1.503 157 HD3 ARG 20 2HD ARG 20 -0.459 12.743 -2.361 158 HE ARG 20 HE ARG 20 -1.889 15.016 -3.041 159 HH11 ARG 20 1HH1 ARG 20 -0.644 13.623 -0.072 160 HH12 ARG 20 2HH1 ARG 20 -0.373 15.161 0.676 161 HH21 ARG 20 1HH2 ARG 20 -1.528 17.034 -2.051 162 HH22 ARG 20 2HH2 ARG 20 -0.870 17.101 -0.446 163 H ALA 21 H ALA 21 -4.145 12.487 -5.554 164 HA ALA 21 HA ALA 21 -6.700 11.831 -4.654 165 HB1 ALA 21 3HB ALA 21 -7.537 13.667 -6.062 166 HB2 ALA 21 1HB ALA 21 -6.023 13.676 -6.976 167 HB3 ALA 21 2HB ALA 21 -6.029 14.125 -5.270 168 H ALA 22 H ALA 22 -5.344 11.409 -7.917 169 HA ALA 22 HA ALA 22 -7.617 10.201 -9.130 170 HB1 ALA 22 3HB ALA 22 -5.823 11.230 -10.445 171 HB2 ALA 22 1HB ALA 22 -6.081 9.555 -10.934 172 HB3 ALA 22 2HB ALA 22 -4.698 9.976 -9.916 173 H ALA 23 H ALA 23 -4.918 8.911 -7.312 174 HA ALA 23 HA ALA 23 -5.112 6.172 -8.019 175 HB1 ALA 23 3HB ALA 23 -3.085 7.186 -7.034 176 HB2 ALA 23 1HB ALA 23 -3.633 5.794 -6.102 177 HB3 ALA 23 2HB ALA 23 -3.938 7.424 -5.506 178 H GLU 24 H GLU 24 -6.088 7.859 -5.035 179 HA GLU 24 HA GLU 24 -7.503 5.770 -3.801 180 HB2 GLU 24 1HB GLU 24 -7.902 8.762 -3.442 181 HB3 GLU 24 2HB GLU 24 -8.279 7.508 -2.263 182 HG2 GLU 24 1HG GLU 24 -5.973 7.078 -1.846 183 HG3 GLU 24 2HG GLU 24 -5.464 7.994 -3.262 184 H GLU 25 H GLU 25 -8.459 8.200 -6.137 185 HA GLU 25 HA GLU 25 -11.280 7.920 -6.089 186 HB2 GLU 25 1HB GLU 25 -10.072 9.742 -7.320 187 HB3 GLU 25 2HB GLU 25 -9.482 8.563 -8.477 188 HG2 GLU 25 1HG GLU 25 -11.292 9.720 -9.512 189 HG3 GLU 25 2HG GLU 25 -11.860 8.094 -9.135 190 H LEU 26 H LEU 26 -8.805 6.365 -8.125 191 HA LEU 26 HA LEU 26 -10.473 4.469 -9.414 192 HB2 LEU 26 1HB LEU 26 -7.465 4.448 -8.955 193 HB3 LEU 26 2HB LEU 26 -8.298 3.297 -9.991 194 HG LEU 26 HG LEU 26 -8.135 6.305 -10.446 195 HD11 LEU 26 1HD1 LEU 26 -5.993 5.197 -10.842 196 HD12 LEU 26 2HD1 LEU 26 -6.696 5.766 -12.352 197 HD13 LEU 26 3HD1 LEU 26 -6.764 4.049 -11.942 198 HD21 LEU 26 3HD2 LEU 26 -10.267 5.429 -11.272 199 HD22 LEU 26 1HD2 LEU 26 -9.425 4.177 -12.192 200 HD23 LEU 26 2HD2 LEU 26 -9.221 5.881 -12.613 201 H LEU 27 H LEU 27 -8.750 4.321 -6.287 202 HA LEU 27 HA LEU 27 -9.152 1.548 -5.819 203 HB2 LEU 27 1HB LEU 27 -8.815 3.867 -3.881 204 HB3 LEU 27 2HB LEU 27 -8.952 2.197 -3.351 205 HG LEU 27 HG LEU 27 -6.727 3.334 -5.076 206 HD11 LEU 27 1HD1 LEU 27 -5.277 2.916 -3.129 207 HD12 LEU 27 2HD1 LEU 27 -6.684 2.411 -2.186 208 HD13 LEU 27 3HD1 LEU 27 -6.556 4.076 -2.759 209 HD21 LEU 27 3HD2 LEU 27 -7.146 1.044 -5.742 210 HD22 LEU 27 1HD2 LEU 27 -7.131 0.506 -4.060 211 HD23 LEU 27 2HD2 LEU 27 -5.655 1.111 -4.810 212 H ALA 28 H ALA 28 -11.034 4.436 -5.050 213 HA ALA 28 HA ALA 28 -13.148 3.113 -3.651 214 HB1 ALA 28 3HB ALA 28 -13.106 5.880 -4.915 215 HB2 ALA 28 1HB ALA 28 -12.600 5.490 -3.270 216 HB3 ALA 28 2HB ALA 28 -14.291 5.298 -3.741 217 H ARG 29 H ARG 29 -12.515 3.798 -7.017 218 HA ARG 29 HA ARG 29 -15.240 3.386 -7.924 219 HB2 ARG 29 1HB ARG 29 -13.813 5.053 -9.034 220 HB3 ARG 29 2HB ARG 29 -12.619 3.824 -9.425 221 HG2 ARG 29 1HG ARG 29 -13.909 4.390 -11.400 222 HG3 ARG 29 2HG ARG 29 -14.254 2.728 -10.927 223 HD2 ARG 29 1HD ARG 29 -16.329 3.604 -9.757 224 HD3 ARG 29 2HD ARG 29 -16.000 5.166 -10.523 225 HE ARG 29 HE ARG 29 -16.064 2.985 -12.395 226 HH11 ARG 29 1HH1 ARG 29 -18.173 5.228 -10.690 227 HH12 ARG 29 2HH1 ARG 29 -19.440 5.101 -11.864 228 HH21 ARG 29 1HH2 ARG 29 -17.728 2.814 -13.898 229 HH22 ARG 29 2HH2 ARG 29 -19.183 3.735 -13.683 230 H ALA 30 H ALA 30 -12.117 1.743 -8.487 231 HA ALA 30 HA ALA 30 -13.340 -0.286 -10.124 232 HB1 ALA 30 3HB ALA 30 -11.158 0.678 -10.717 233 HB2 ALA 30 1HB ALA 30 -11.054 -1.072 -10.518 234 HB3 ALA 30 2HB ALA 30 -10.449 0.000 -9.250 235 H GLY 31 H GLY 31 -11.403 -0.426 -7.074 236 HA2 GLY 31 1HA GLY 31 -12.163 -3.218 -6.635 237 HA3 GLY 31 2HA GLY 31 -11.051 -2.253 -5.671 238 H ARG 32 H ARG 32 -12.753 -0.031 -5.379 239 HA ARG 32 HA ARG 32 -14.242 0.975 -4.085 240 HB2 ARG 32 1HB ARG 32 -15.658 -0.184 -5.844 241 HB3 ARG 32 2HB ARG 32 -16.039 -1.403 -4.637 242 HG2 ARG 32 1HG ARG 32 -17.201 0.228 -3.269 243 HG3 ARG 32 2HG ARG 32 -16.652 1.548 -4.302 244 HD2 ARG 32 1HD ARG 32 -18.515 -0.690 -5.151 245 HD3 ARG 32 2HD ARG 32 -19.011 0.957 -4.737 246 HE ARG 32 HE ARG 32 -17.133 0.430 -6.971 247 HH11 ARG 32 1HH1 ARG 32 -20.179 1.809 -5.852 248 HH12 ARG 32 2HH1 ARG 32 -20.503 2.568 -7.376 249 HH21 ARG 32 1HH2 ARG 32 -17.572 1.463 -8.921 250 HH22 ARG 32 2HH2 ARG 32 -19.036 2.376 -9.098 251 H ASP 33 H ASP 33 -12.573 -1.414 -2.785 252 HA ASP 33 HA ASP 33 -12.936 -1.260 -0.155 253 HB2 ASP 33 1HB ASP 33 -15.358 -1.951 -0.398 254 HB3 ASP 33 2HB ASP 33 -14.839 -3.468 -1.124 255 H GLY 34 H GLY 34 -11.282 -2.526 0.750 256 HA2 GLY 34 1HA GLY 34 -9.719 -4.179 0.973 257 HA3 GLY 34 2HA GLY 34 -10.538 -5.109 -0.272 258 H SER 35 H SER 35 -9.906 -2.054 -1.491 259 HA SER 35 HA SER 35 -8.079 -3.215 -3.426 260 HB2 SER 35 1HB SER 35 -8.471 -0.774 -4.453 261 HB3 SER 35 2HB SER 35 -9.717 -1.992 -4.564 262 HG SER 35 HG SER 35 -9.545 0.228 -2.839 263 H PHE 36 H PHE 36 -5.927 -2.845 -3.535 264 HA PHE 36 HA PHE 36 -4.798 -0.427 -2.251 265 HB2 PHE 36 1HB PHE 36 -2.840 -1.646 -1.522 266 HB3 PHE 36 2HB PHE 36 -4.255 -2.496 -0.920 267 HD1 PHE 36 HD1 PHE 36 -4.855 -4.732 -1.844 268 HD2 PHE 36 HD2 PHE 36 -1.353 -2.689 -3.192 269 HE1 PHE 36 HE1 PHE 36 -4.018 -6.817 -2.852 270 HE2 PHE 36 HE2 PHE 36 -0.533 -4.777 -4.195 271 HZ PHE 36 HZ PHE 36 -1.859 -6.837 -4.028 272 H LEU 37 H LEU 37 -3.112 0.571 -3.344 273 HA LEU 37 HA LEU 37 -1.837 -0.765 -5.580 274 HB2 LEU 37 1HB LEU 37 -1.978 1.288 -7.034 275 HB3 LEU 37 2HB LEU 37 -3.475 0.415 -6.833 276 HG LEU 37 HG LEU 37 -4.195 2.181 -5.155 277 HD11 LEU 37 1HD1 LEU 37 -3.132 4.366 -5.170 278 HD12 LEU 37 2HD1 LEU 37 -1.827 3.754 -6.188 279 HD13 LEU 37 3HD1 LEU 37 -2.041 3.134 -4.548 280 HD21 LEU 37 3HD2 LEU 37 -4.868 3.807 -6.874 281 HD22 LEU 37 1HD2 LEU 37 -5.056 2.150 -7.446 282 HD23 LEU 37 2HD2 LEU 37 -3.690 3.122 -7.998 283 H VAL 38 H VAL 38 0.165 0.266 -6.173 284 HA VAL 38 HA VAL 38 1.438 1.761 -3.960 285 HB VAL 38 HB VAL 38 2.796 -0.041 -6.017 286 HG11 VAL 38 1HG1 VAL 38 4.739 0.029 -4.488 287 HG12 VAL 38 2HG1 VAL 38 3.861 1.110 -3.407 288 HG13 VAL 38 3HG1 VAL 38 4.298 1.652 -5.030 289 HG21 VAL 38 3HG2 VAL 38 2.924 -1.784 -4.279 290 HG22 VAL 38 1HG2 VAL 38 1.245 -1.381 -4.625 291 HG23 VAL 38 2HG2 VAL 38 2.016 -0.765 -3.162 292 H ARG 39 H ARG 39 2.992 3.400 -4.661 293 HA ARG 39 HA ARG 39 2.717 4.447 -7.396 294 HB2 ARG 39 1HB ARG 39 2.246 6.133 -4.884 295 HB3 ARG 39 2HB ARG 39 2.323 6.750 -6.535 296 HG2 ARG 39 1HG ARG 39 0.266 5.422 -7.069 297 HG3 ARG 39 2HG ARG 39 0.187 4.932 -5.371 298 HD2 ARG 39 1HD ARG 39 -0.076 7.745 -6.490 299 HD3 ARG 39 2HD ARG 39 -1.328 6.785 -5.700 300 HE ARG 39 HE ARG 39 1.078 7.850 -4.342 301 HH11 ARG 39 1HH1 ARG 39 -2.311 6.927 -4.158 302 HH12 ARG 39 2HH1 ARG 39 -2.508 7.524 -2.544 303 HH21 ARG 39 1HH2 ARG 39 0.817 8.645 -2.267 304 HH22 ARG 39 2HH2 ARG 39 -0.719 8.517 -1.465 305 H ASP 40 H ASP 40 4.238 6.242 -7.743 306 HA ASP 40 HA ASP 40 6.811 5.977 -6.388 307 HB2 ASP 40 1HB ASP 40 6.733 6.209 -8.849 308 HB3 ASP 40 2HB ASP 40 5.857 7.729 -8.701 309 H SER 41 H SER 41 7.546 7.458 -4.861 310 HA SER 41 HA SER 41 5.725 9.137 -3.512 311 HB2 SER 41 1HB SER 41 8.758 8.981 -3.338 312 HB3 SER 41 2HB SER 41 7.771 9.974 -2.266 313 HG SER 41 HG SER 41 7.309 7.203 -2.596 314 H GLU 42 H GLU 42 5.380 11.285 -3.528 315 HA GLU 42 HA GLU 42 6.191 12.747 -5.969 316 HB2 GLU 42 1HB GLU 42 4.065 14.009 -5.600 317 HB3 GLU 42 2HB GLU 42 3.806 12.277 -5.792 318 HG2 GLU 42 1HG GLU 42 3.623 12.054 -3.314 319 HG3 GLU 42 2HG GLU 42 3.800 13.804 -3.167 320 H SER 43 H SER 43 7.500 12.599 -3.135 321 HA SER 43 HA SER 43 8.092 15.448 -2.875 322 HB2 SER 43 1HB SER 43 6.176 15.107 -1.331 323 HB3 SER 43 2HB SER 43 7.039 13.796 -0.531 324 HG SER 43 HG SER 43 7.544 16.567 -0.476 325 H VAL 44 H VAL 44 8.631 12.287 -1.208 326 HA VAL 44 HA VAL 44 11.352 13.112 -0.523 327 HB VAL 44 HB VAL 44 11.424 11.110 0.951 328 HG11 VAL 44 1HG1 VAL 44 9.774 11.920 2.603 329 HG12 VAL 44 2HG1 VAL 44 8.952 12.847 1.346 330 HG13 VAL 44 3HG1 VAL 44 10.603 13.267 1.817 331 HG21 VAL 44 3HG2 VAL 44 8.563 10.590 0.025 332 HG22 VAL 44 1HG2 VAL 44 9.378 9.752 1.351 333 HG23 VAL 44 2HG2 VAL 44 9.965 9.570 -0.303 334 H ALA 45 H ALA 45 13.047 12.559 -1.554 335 HA ALA 45 HA ALA 45 14.386 11.734 -3.258 336 HB1 ALA 45 3HB ALA 45 14.231 9.557 -1.173 337 HB2 ALA 45 1HB ALA 45 15.118 11.077 -1.021 338 HB3 ALA 45 2HB ALA 45 15.601 9.889 -2.234 339 H GLY 46 H GLY 46 14.612 8.556 -3.247 340 HA2 GLY 46 1HA GLY 46 12.777 8.084 -5.518 341 HA3 GLY 46 2HA GLY 46 14.297 7.242 -5.230 342 H ALA 47 H ALA 47 11.300 7.931 -3.438 343 HA ALA 47 HA ALA 47 11.441 5.261 -2.169 344 HB1 ALA 47 3HB ALA 47 11.574 7.173 -0.626 345 HB2 ALA 47 1HB ALA 47 10.090 6.251 -0.362 346 HB3 ALA 47 2HB ALA 47 10.034 7.787 -1.233 347 H PHE 48 H PHE 48 9.167 4.548 -1.454 348 HA PHE 48 HA PHE 48 7.273 4.686 -3.747 349 HB2 PHE 48 1HB PHE 48 7.737 2.353 -1.835 350 HB3 PHE 48 2HB PHE 48 6.547 2.385 -3.126 351 HD1 PHE 48 HD2 PHE 48 10.184 2.254 -2.384 352 HD2 PHE 48 HD1 PHE 48 7.176 1.908 -5.399 353 HE1 PHE 48 HE2 PHE 48 11.844 1.304 -3.938 354 HE2 PHE 48 HE1 PHE 48 8.835 0.954 -6.942 355 HZ PHE 48 HZ PHE 48 11.170 0.652 -6.219 356 H ALA 49 H ALA 49 5.007 4.555 -3.224 357 HA ALA 49 HA ALA 49 4.207 5.088 -0.422 358 HB1 ALA 49 3HB ALA 49 3.951 7.129 -1.819 359 HB2 ALA 49 1HB ALA 49 2.378 6.503 -1.312 360 HB3 ALA 49 2HB ALA 49 2.952 6.226 -2.961 361 H LEU 50 H LEU 50 2.397 3.893 0.297 362 HA LEU 50 HA LEU 50 1.154 1.952 -1.563 363 HB2 LEU 50 1HB LEU 50 2.657 0.708 -0.078 364 HB3 LEU 50 2HB LEU 50 1.986 1.511 1.333 365 HG LEU 50 HG LEU 50 -0.215 0.366 0.878 366 HD11 LEU 50 1HD1 LEU 50 -0.318 -1.562 -0.634 367 HD12 LEU 50 2HD1 LEU 50 1.316 -1.217 -1.206 368 HD13 LEU 50 3HD1 LEU 50 0.009 -0.070 -1.518 369 HD21 LEU 50 3HD2 LEU 50 0.440 -1.833 1.745 370 HD22 LEU 50 1HD2 LEU 50 1.298 -0.529 2.566 371 HD23 LEU 50 2HD2 LEU 50 2.124 -1.497 1.344 372 H CYS 51 H CYS 51 -0.938 2.407 -1.759 373 HA CYS 51 HA CYS 51 -2.376 3.891 0.358 374 HB2 CYS 51 1HB CYS 51 -1.946 5.199 -1.745 375 HB3 CYS 51 2HB CYS 51 -2.811 3.977 -2.665 376 HG CYS 51 HG CYS 51 -4.248 5.815 -0.178 377 H VAL 52 H VAL 52 -4.035 2.722 1.233 378 HA VAL 52 HA VAL 52 -5.029 0.305 -0.181 379 HB VAL 52 HB VAL 52 -4.519 0.298 2.829 380 HG11 VAL 52 1HG1 VAL 52 -4.616 -2.165 2.562 381 HG12 VAL 52 2HG1 VAL 52 -4.878 -1.970 0.830 382 HG13 VAL 52 3HG1 VAL 52 -6.092 -1.391 1.972 383 HG21 VAL 52 3HG2 VAL 52 -2.412 -0.943 2.483 384 HG22 VAL 52 1HG2 VAL 52 -2.313 0.684 1.803 385 HG23 VAL 52 2HG2 VAL 52 -2.547 -0.706 0.739 386 H LEU 53 H LEU 53 -7.216 -0.154 0.190 387 HA LEU 53 HA LEU 53 -8.805 1.769 1.769 388 HB2 LEU 53 1HB LEU 53 -9.145 2.362 -0.550 389 HB3 LEU 53 2HB LEU 53 -9.283 0.685 -1.033 390 HG LEU 53 HG LEU 53 -11.484 0.495 0.057 391 HD11 LEU 53 1HD1 LEU 53 -11.211 2.073 1.912 392 HD12 LEU 53 2HD1 LEU 53 -12.678 2.395 1.001 393 HD13 LEU 53 3HD1 LEU 53 -11.265 3.428 0.783 394 HD21 LEU 53 3HD2 LEU 53 -11.350 2.888 -1.796 395 HD22 LEU 53 1HD2 LEU 53 -12.780 1.908 -1.457 396 HD23 LEU 53 2HD2 LEU 53 -11.401 1.191 -2.287 397 H TYR 54 H TYR 54 -10.397 0.883 2.959 398 HA TYR 54 HA TYR 54 -11.712 -1.535 2.495 399 HB2 TYR 54 1HB TYR 54 -9.584 -2.563 3.353 400 HB3 TYR 54 2HB TYR 54 -9.809 -1.716 4.881 401 HD1 TYR 54 HD2 TYR 54 -11.117 -4.408 2.696 402 HD2 TYR 54 HD1 TYR 54 -11.454 -2.508 6.507 403 HE1 TYR 54 HE2 TYR 54 -12.525 -6.260 3.500 404 HE2 TYR 54 HE1 TYR 54 -12.861 -4.349 7.303 405 HH TYR 54 HH TYR 54 -14.300 -6.062 6.414 406 H GLN 55 H GLN 55 -13.591 -1.589 3.635 407 HA GLN 55 HA GLN 55 -15.435 -0.662 4.632 408 HB2 GLN 55 1HB GLN 55 -14.126 -2.004 6.401 409 HB3 GLN 55 2HB GLN 55 -13.563 -0.470 7.034 410 HG2 GLN 55 1HG GLN 55 -15.403 -1.291 8.373 411 HG3 GLN 55 2HG GLN 55 -15.901 0.173 7.525 412 HE21 GLN 55 2HE2 GLN 55 -16.288 -3.312 7.725 413 HE22 GLN 55 1HE2 GLN 55 -17.727 -3.404 6.774 414 H LYS 56 H LYS 56 -14.371 1.328 3.125 415 HA LYS 56 HA LYS 56 -13.951 3.484 2.745 416 HB2 LYS 56 1HB LYS 56 -15.876 3.837 5.073 417 HB3 LYS 56 2HB LYS 56 -15.404 5.128 3.966 418 HG2 LYS 56 1HG LYS 56 -16.383 3.776 2.078 419 HG3 LYS 56 2HG LYS 56 -16.957 2.608 3.279 420 HD2 LYS 56 1HD LYS 56 -18.290 4.401 4.362 421 HD3 LYS 56 2HD LYS 56 -17.732 5.551 3.141 422 HE2 LYS 56 1HE LYS 56 -18.850 4.215 1.382 423 HE3 LYS 56 2HE LYS 56 -19.408 3.064 2.602 424 HZ1 LYS 56 3HZ LYS 56 -20.105 5.948 2.494 425 HZ2 LYS 56 1HZ LYS 56 -20.649 4.848 3.652 426 HZ3 LYS 56 2HZ LYS 56 -21.116 4.672 2.035 427 H HIS 57 H HIS 57 -11.904 2.352 4.135 428 HA HIS 57 HA HIS 57 -10.774 4.755 5.454 429 HB2 HIS 57 1HB HIS 57 -10.148 1.838 6.166 430 HB3 HIS 57 2HB HIS 57 -9.276 3.232 6.791 431 HD1 HIS 57 HD1 HIS 57 -10.541 4.744 8.518 432 HD2 HIS 57 HD2 HIS 57 -12.528 1.250 7.456 433 HE1 HIS 57 HE1 HIS 57 -12.309 4.411 10.276 434 HE2 HIS 57 HE2 HIS 57 -13.378 2.199 9.708 435 H VAL 58 H VAL 58 -9.700 5.542 3.680 436 HA VAL 58 HA VAL 58 -7.774 3.811 2.267 437 HB VAL 58 HB VAL 58 -8.409 6.764 1.736 438 HG11 VAL 58 1HG1 VAL 58 -6.776 4.764 0.112 439 HG12 VAL 58 2HG1 VAL 58 -6.143 6.144 1.012 440 HG13 VAL 58 3HG1 VAL 58 -7.170 6.408 -0.396 441 HG21 VAL 58 3HG2 VAL 58 -9.652 5.996 -0.265 442 HG22 VAL 58 1HG2 VAL 58 -10.379 5.366 1.217 443 HG23 VAL 58 2HG2 VAL 58 -9.384 4.316 0.205 444 H HIS 59 H HIS 59 -5.986 3.526 3.607 445 HA HIS 59 HA HIS 59 -4.772 5.931 4.826 446 HB2 HIS 59 1HB HIS 59 -5.527 3.875 6.292 447 HB3 HIS 59 2HB HIS 59 -4.120 3.060 5.626 448 HD1 HIS 59 HD1 HIS 59 -3.125 2.984 8.070 449 HD2 HIS 59 HD2 HIS 59 -3.656 6.820 6.543 450 HE1 HIS 59 HE1 HIS 59 -1.881 4.516 9.629 451 HE2 HIS 59 HE2 HIS 59 -2.039 6.786 8.554 452 H THR 60 H THR 60 -2.680 6.443 4.247 453 HA THR 60 HA THR 60 -1.410 4.808 2.132 454 HB THR 60 HB THR 60 -1.423 7.856 2.356 455 HG1 THR 60 HG1 THR 60 -3.423 6.759 1.648 456 HG21 THR 60 3HG2 THR 60 0.662 7.001 1.320 457 HG22 THR 60 1HG2 THR 60 -0.341 7.842 0.132 458 HG23 THR 60 2HG2 THR 60 -0.285 6.077 0.154 459 H TYR 61 H TYR 61 0.797 4.587 2.239 460 HA TYR 61 HA TYR 61 2.225 5.505 4.660 461 HB2 TYR 61 1HB TYR 61 2.559 2.778 3.312 462 HB3 TYR 61 2HB TYR 61 3.292 3.307 4.821 463 HD1 TYR 61 HD2 TYR 61 1.446 4.129 6.652 464 HD2 TYR 61 HD1 TYR 61 0.706 1.312 3.518 465 HE1 TYR 61 HE2 TYR 61 -0.457 3.227 7.906 466 HE2 TYR 61 HE1 TYR 61 -1.215 0.428 4.777 467 HH TYR 61 HH TYR 61 -1.872 0.376 7.371 468 H ARG 62 H ARG 62 4.463 5.923 4.296 469 HA ARG 62 HA ARG 62 5.408 5.877 1.500 470 HB2 ARG 62 1HB ARG 62 6.550 7.343 3.913 471 HB3 ARG 62 2HB ARG 62 7.309 7.293 2.321 472 HG2 ARG 62 1HG ARG 62 5.205 8.335 1.381 473 HG3 ARG 62 2HG ARG 62 4.644 8.559 3.042 474 HD2 ARG 62 1HD ARG 62 7.109 9.776 1.751 475 HD3 ARG 62 2HD ARG 62 5.636 10.622 2.240 476 HE ARG 62 HE ARG 62 6.998 9.254 4.400 477 HH11 ARG 62 1HH1 ARG 62 6.696 12.281 2.669 478 HH12 ARG 62 2HH1 ARG 62 7.507 13.201 3.888 479 HH21 ARG 62 1HH2 ARG 62 8.052 10.463 5.993 480 HH22 ARG 62 2HH2 ARG 62 8.255 12.173 5.791 481 H ILE 63 H ILE 63 8.107 5.237 1.640 482 HA ILE 63 HA ILE 63 8.330 2.773 2.870 483 HB ILE 63 HB ILE 63 7.593 2.712 -0.101 484 HG12 ILE 63 1HG1 ILE 63 6.241 0.596 0.827 485 HG13 ILE 63 2HG1 ILE 63 6.362 1.443 2.354 486 HG21 ILE 63 1HG2 ILE 63 8.998 0.526 1.466 487 HG22 ILE 63 2HG2 ILE 63 9.673 1.477 0.142 488 HG23 ILE 63 3HG2 ILE 63 8.354 0.351 -0.170 489 HD11 ILE 63 3HD1 ILE 63 5.069 2.477 -0.156 490 HD12 ILE 63 1HD1 ILE 63 5.126 3.301 1.402 491 HD13 ILE 63 2HD1 ILE 63 4.250 1.782 1.241 492 H LEU 64 H LEU 64 10.496 3.213 3.302 493 HA LEU 64 HA LEU 64 11.836 5.089 1.449 494 HB2 LEU 64 1HB LEU 64 12.000 4.795 4.462 495 HB3 LEU 64 2HB LEU 64 13.291 5.583 3.575 496 HG LEU 64 HG LEU 64 11.576 7.209 2.657 497 HD11 LEU 64 1HD1 LEU 64 9.527 5.946 3.003 498 HD12 LEU 64 2HD1 LEU 64 9.449 7.500 3.827 499 HD13 LEU 64 3HD1 LEU 64 9.745 6.026 4.753 500 HD21 LEU 64 3HD2 LEU 64 11.526 8.610 4.657 501 HD22 LEU 64 1HD2 LEU 64 13.096 7.833 4.464 502 HD23 LEU 64 2HD2 LEU 64 11.954 7.224 5.665 503 HA PRO 65 HA PRO 65 15.018 1.921 0.840 504 HB2 PRO 65 1HB PRO 65 16.684 3.301 -0.768 505 HB3 PRO 65 2HB PRO 65 15.059 2.875 -1.321 506 HG2 PRO 65 1HG PRO 65 16.038 5.487 -0.165 507 HG3 PRO 65 2HG PRO 65 15.061 5.214 -1.627 508 HD2 PRO 65 1HD PRO 65 13.980 5.903 0.810 509 HD3 PRO 65 2HD PRO 65 13.096 4.960 -0.408 510 H ASP 66 H ASP 66 17.789 3.596 0.552 511 HA ASP 66 HA ASP 66 18.822 4.231 2.973 512 HB2 ASP 66 1HB ASP 66 17.614 2.026 3.738 513 HB3 ASP 66 2HB ASP 66 18.925 1.179 2.932 514 H GLY 67 H GLY 67 21.264 3.255 3.306 515 HA2 GLY 67 1HA GLY 67 22.656 3.047 0.722 516 HA3 GLY 67 2HA GLY 67 23.393 3.137 2.317 517 H GLU 68 H GLU 68 20.955 0.989 2.376 518 HA GLU 68 HA GLU 68 22.299 -1.488 1.580 519 HB2 GLU 68 1HB GLU 68 21.111 -1.094 4.399 520 HB3 GLU 68 2HB GLU 68 21.788 -2.594 3.761 521 HG2 GLU 68 1HG GLU 68 24.017 -1.657 3.786 522 HG3 GLU 68 2HG GLU 68 23.396 -0.063 4.214 523 H ASP 69 H ASP 69 20.415 -2.509 0.296 524 HA ASP 69 HA ASP 69 18.460 -0.370 0.055 525 HB2 ASP 69 1HB ASP 69 19.633 -1.318 -1.964 526 HB3 ASP 69 2HB ASP 69 18.796 -2.844 -1.696 527 H PHE 70 H PHE 70 17.215 -0.686 1.879 528 HA PHE 70 HA PHE 70 15.414 -3.035 1.924 529 HB2 PHE 70 1HB PHE 70 16.395 -1.202 4.155 530 HB3 PHE 70 2HB PHE 70 15.044 -2.304 4.360 531 HD1 PHE 70 HD1 PHE 70 15.627 -4.822 3.515 532 HD2 PHE 70 HD2 PHE 70 18.443 -1.971 5.001 533 HE1 PHE 70 HE1 PHE 70 17.122 -6.647 4.193 534 HE2 PHE 70 HE2 PHE 70 19.931 -3.803 5.663 535 HZ PHE 70 HZ PHE 70 19.275 -6.140 5.267 536 H LEU 71 H LEU 71 13.280 -2.610 1.723 537 HA LEU 71 HA LEU 71 12.319 0.140 1.439 538 HB2 LEU 71 1HB LEU 71 11.144 -2.602 0.808 539 HB3 LEU 71 2HB LEU 71 10.167 -1.146 0.769 540 HG LEU 71 HG LEU 71 11.715 -0.242 -1.023 541 HD11 LEU 71 1HD1 LEU 71 13.713 -1.602 -0.626 542 HD12 LEU 71 2HD1 LEU 71 13.152 -1.776 -2.287 543 HD13 LEU 71 3HD1 LEU 71 12.839 -3.057 -1.113 544 HD21 LEU 71 3HD2 LEU 71 10.255 -2.815 -1.691 545 HD22 LEU 71 1HD2 LEU 71 10.713 -1.553 -2.840 546 HD23 LEU 71 2HD2 LEU 71 9.534 -1.207 -1.578 547 H ALA 72 H ALA 72 11.804 1.033 3.310 548 HA ALA 72 HA ALA 72 10.917 -0.592 5.613 549 HB1 ALA 72 3HB ALA 72 12.210 2.166 5.547 550 HB2 ALA 72 1HB ALA 72 13.030 0.644 5.909 551 HB3 ALA 72 2HB ALA 72 11.784 1.252 6.997 552 H VAL 73 H VAL 73 8.838 -0.522 6.010 553 HA VAL 73 HA VAL 73 7.166 1.715 5.029 554 HB VAL 73 HB VAL 73 6.120 -1.013 5.885 555 HG11 VAL 73 1HG1 VAL 73 4.882 1.184 4.164 556 HG12 VAL 73 2HG1 VAL 73 4.399 0.745 5.806 557 HG13 VAL 73 3HG1 VAL 73 4.147 -0.383 4.475 558 HG21 VAL 73 3HG2 VAL 73 6.975 -0.189 3.080 559 HG22 VAL 73 1HG2 VAL 73 6.078 -1.652 3.471 560 HG23 VAL 73 2HG2 VAL 73 7.720 -1.432 4.087 561 H GLN 74 H GLN 74 5.568 2.593 6.398 562 HA GLN 74 HA GLN 74 6.017 2.247 9.305 563 HB2 GLN 74 1HB GLN 74 5.252 4.775 9.403 564 HB3 GLN 74 2HB GLN 74 6.932 4.377 9.097 565 HG2 GLN 74 1HG GLN 74 5.149 4.789 6.719 566 HG3 GLN 74 2HG GLN 74 5.605 6.203 7.658 567 HE21 GLN 74 2HE2 GLN 74 7.845 3.494 7.264 568 HE22 GLN 74 1HE2 GLN 74 8.913 4.296 6.186 569 H THR 75 H THR 75 4.386 0.761 9.287 570 HA THR 75 HA THR 75 1.701 1.323 8.344 571 HB THR 75 HB THR 75 1.250 -0.929 9.653 572 HG1 THR 75 HG1 THR 75 2.957 -1.923 10.474 573 HG21 THR 75 3HG2 THR 75 2.147 -2.279 7.809 574 HG22 THR 75 1HG2 THR 75 3.159 -0.922 7.287 575 HG23 THR 75 2HG2 THR 75 1.401 -0.809 7.187 576 H SER 76 H SER 76 3.151 0.766 11.553 577 HA SER 76 HA SER 76 1.080 2.484 12.800 578 HB2 SER 76 1HB SER 76 2.337 0.015 14.076 579 HB3 SER 76 2HB SER 76 1.065 1.027 14.763 580 HG SER 76 HG SER 76 -0.356 0.216 13.342 581 H GLN 77 H GLN 77 1.808 3.260 14.988 582 HA GLN 77 HA GLN 77 4.449 4.463 14.760 583 HB2 GLN 77 1HB GLN 77 2.235 4.939 16.802 584 HB3 GLN 77 2HB GLN 77 3.709 5.895 16.636 585 HG2 GLN 77 1HG GLN 77 2.960 6.526 14.316 586 HG3 GLN 77 2HG GLN 77 1.436 5.692 14.626 587 HE21 GLN 77 2HE2 GLN 77 -0.015 6.594 16.164 588 HE22 GLN 77 1HE2 GLN 77 0.086 8.254 16.641 589 H GLY 78 H GLY 78 3.354 1.576 16.084 590 HA2 GLY 78 1HA GLY 78 5.586 1.461 17.986 591 HA3 GLY 78 2HA GLY 78 3.961 1.183 18.602 592 H VAL 79 H VAL 79 5.173 0.176 15.435 593 HA VAL 79 HA VAL 79 5.297 -2.656 16.332 594 HB VAL 79 HB VAL 79 4.748 -3.383 14.015 595 HG11 VAL 79 1HG1 VAL 79 2.923 -3.347 15.621 596 HG12 VAL 79 2HG1 VAL 79 2.308 -2.876 14.034 597 HG13 VAL 79 3HG1 VAL 79 2.596 -1.647 15.269 598 HG21 VAL 79 3HG2 VAL 79 5.482 -1.428 12.728 599 HG22 VAL 79 1HG2 VAL 79 4.192 -0.443 13.425 600 HG23 VAL 79 2HG2 VAL 79 3.798 -1.785 12.345 601 HA PRO 80 HA PRO 80 9.565 -2.492 14.744 602 HB2 PRO 80 1HB PRO 80 9.825 -5.137 13.850 603 HB3 PRO 80 2HB PRO 80 10.059 -4.611 15.522 604 HG2 PRO 80 1HG PRO 80 7.638 -5.856 14.248 605 HG3 PRO 80 2HG PRO 80 8.347 -6.168 15.846 606 HD2 PRO 80 1HD PRO 80 6.147 -4.625 15.544 607 HD3 PRO 80 2HD PRO 80 7.362 -4.267 16.793 608 H VAL 81 H VAL 81 10.198 -1.665 12.857 609 HA VAL 81 HA VAL 81 8.424 -1.486 10.598 610 HB VAL 81 HB VAL 81 11.298 -0.511 10.959 611 HG11 VAL 81 1HG1 VAL 81 10.893 -0.883 8.551 612 HG12 VAL 81 2HG1 VAL 81 10.979 0.841 8.904 613 HG13 VAL 81 3HG1 VAL 81 9.412 0.078 8.635 614 HG21 VAL 81 3HG2 VAL 81 10.265 1.728 11.167 615 HG22 VAL 81 1HG2 VAL 81 9.643 0.629 12.401 616 HG23 VAL 81 2HG2 VAL 81 8.659 1.017 10.986 617 H ARG 82 H ARG 82 8.438 -2.692 8.753 618 HA ARG 82 HA ARG 82 10.145 -5.097 8.764 619 HB2 ARG 82 1HB ARG 82 7.526 -5.131 8.849 620 HB3 ARG 82 2HB ARG 82 7.603 -4.726 7.136 621 HG2 ARG 82 1HG ARG 82 8.670 -6.813 6.605 622 HG3 ARG 82 2HG ARG 82 8.992 -7.158 8.308 623 HD2 ARG 82 1HD ARG 82 6.284 -7.091 6.950 624 HD3 ARG 82 2HD ARG 82 7.144 -8.518 7.546 625 HE ARG 82 HE ARG 82 6.474 -6.416 9.486 626 HH11 ARG 82 1HH1 ARG 82 5.761 -9.627 8.282 627 HH12 ARG 82 2HH1 ARG 82 4.735 -10.027 9.620 628 HH21 ARG 82 1HH2 ARG 82 5.162 -6.945 11.229 629 HH22 ARG 82 2HH2 ARG 82 4.384 -8.495 11.298 630 H ARG 83 H ARG 83 11.772 -5.119 7.352 631 HA ARG 83 HA ARG 83 11.912 -3.123 5.200 632 HB2 ARG 83 1HB ARG 83 14.021 -4.904 6.499 633 HB3 ARG 83 2HB ARG 83 14.342 -3.703 5.250 634 HG2 ARG 83 1HG ARG 83 13.672 -1.899 6.762 635 HG3 ARG 83 2HG ARG 83 13.247 -3.075 8.012 636 HD2 ARG 83 1HD ARG 83 16.028 -2.655 6.857 637 HD3 ARG 83 2HD ARG 83 15.460 -2.034 8.406 638 HE ARG 83 HE ARG 83 15.024 -4.732 8.550 639 HH11 ARG 83 1HH1 ARG 83 17.913 -2.785 7.969 640 HH12 ARG 83 2HH1 ARG 83 18.961 -3.920 8.749 641 HH21 ARG 83 1HH2 ARG 83 16.439 -6.177 9.548 642 HH22 ARG 83 2HH2 ARG 83 18.138 -5.836 9.613 643 H PHE 84 H PHE 84 11.727 -3.757 3.100 644 HA PHE 84 HA PHE 84 11.685 -6.642 2.455 645 HB2 PHE 84 1HB PHE 84 10.381 -4.276 1.047 646 HB3 PHE 84 2HB PHE 84 10.166 -5.973 0.620 647 HD1 PHE 84 HD1 PHE 84 9.260 -7.536 2.479 648 HD2 PHE 84 HD2 PHE 84 8.863 -3.288 2.593 649 HE1 PHE 84 HE1 PHE 84 7.418 -7.742 4.074 650 HE2 PHE 84 HE2 PHE 84 7.009 -3.517 4.194 651 HZ PHE 84 HZ PHE 84 6.294 -5.747 4.932 652 H GLN 85 H GLN 85 12.806 -7.443 0.710 653 HA GLN 85 HA GLN 85 15.042 -6.056 -0.377 654 HB2 GLN 85 1HB GLN 85 14.857 -8.544 -0.044 655 HB3 GLN 85 2HB GLN 85 13.714 -8.612 -1.377 656 HG2 GLN 85 1HG GLN 85 15.398 -7.969 -2.964 657 HG3 GLN 85 2HG GLN 85 16.547 -7.572 -1.689 658 HE21 GLN 85 2HE2 GLN 85 17.545 -9.276 -0.535 659 HE22 GLN 85 1HE2 GLN 85 17.612 -10.882 -1.170 660 H THR 86 H THR 86 11.793 -6.758 -1.524 661 HA THR 86 HA THR 86 11.967 -4.716 -3.611 662 HB THR 86 HB THR 86 12.614 -6.723 -4.851 663 HG1 THR 86 HG1 THR 86 11.345 -6.212 -6.468 664 HG21 THR 86 3HG2 THR 86 11.654 -8.469 -3.403 665 HG22 THR 86 1HG2 THR 86 11.139 -8.690 -5.072 666 HG23 THR 86 2HG2 THR 86 10.024 -7.994 -3.892 667 H LEU 87 H LEU 87 9.809 -4.329 -4.601 668 HA LEU 87 HA LEU 87 7.742 -3.963 -2.722 669 HB2 LEU 87 1HB LEU 87 8.239 -3.020 -5.309 670 HB3 LEU 87 2HB LEU 87 6.837 -4.033 -5.563 671 HG LEU 87 HG LEU 87 6.102 -1.749 -5.211 672 HD11 LEU 87 1HD1 LEU 87 4.644 -3.461 -4.280 673 HD12 LEU 87 2HD1 LEU 87 4.572 -1.980 -3.332 674 HD13 LEU 87 3HD1 LEU 87 5.485 -3.368 -2.731 675 HD21 LEU 87 3HD2 LEU 87 8.049 -0.892 -4.013 676 HD22 LEU 87 1HD2 LEU 87 7.575 -1.789 -2.566 677 HD23 LEU 87 2HD2 LEU 87 6.554 -0.485 -3.180 678 H GLY 88 H GLY 88 8.412 -6.584 -5.013 679 HA2 GLY 88 1HA GLY 88 6.155 -8.170 -4.808 680 HA3 GLY 88 2HA GLY 88 7.792 -8.791 -4.940 681 H GLU 89 H GLU 89 8.857 -7.950 -2.502 682 HA GLU 89 HA GLU 89 7.927 -9.903 -0.641 683 HB2 GLU 89 1HB GLU 89 9.801 -7.528 -0.225 684 HB3 GLU 89 2HB GLU 89 9.547 -8.818 0.946 685 HG2 GLU 89 1HG GLU 89 10.790 -9.080 -1.800 686 HG3 GLU 89 2HG GLU 89 11.625 -9.149 -0.250 687 H LEU 90 H LEU 90 7.518 -6.412 -0.968 688 HA LEU 90 HA LEU 90 6.381 -5.786 1.501 689 HB2 LEU 90 1HB LEU 90 7.268 -4.230 -0.293 690 HB3 LEU 90 2HB LEU 90 5.759 -4.437 -1.156 691 HG LEU 90 HG LEU 90 5.833 -3.314 1.674 692 HD11 LEU 90 1HD1 LEU 90 7.329 -1.934 0.307 693 HD12 LEU 90 2HD1 LEU 90 5.869 -1.055 0.739 694 HD13 LEU 90 3HD1 LEU 90 6.051 -1.706 -0.891 695 HD21 LEU 90 3HD2 LEU 90 3.781 -2.990 -0.551 696 HD22 LEU 90 1HD2 LEU 90 3.710 -2.216 1.039 697 HD23 LEU 90 2HD2 LEU 90 3.598 -3.969 0.907 698 H ILE 91 H ILE 91 4.742 -6.458 -1.583 699 HA ILE 91 HA ILE 91 2.077 -6.525 -0.581 700 HB ILE 91 HB ILE 91 3.172 -7.837 -3.114 701 HG12 ILE 91 1HG1 ILE 91 3.804 -5.472 -3.118 702 HG13 ILE 91 2HG1 ILE 91 2.525 -5.721 -4.293 703 HG21 ILE 91 1HG2 ILE 91 0.338 -6.966 -2.447 704 HG22 ILE 91 2HG2 ILE 91 0.919 -8.628 -2.585 705 HG23 ILE 91 3HG2 ILE 91 0.877 -7.588 -4.009 706 HD11 ILE 91 3HD1 ILE 91 2.208 -3.653 -3.131 707 HD12 ILE 91 1HD1 ILE 91 2.253 -4.464 -1.566 708 HD13 ILE 91 2HD1 ILE 91 0.920 -4.767 -2.684 709 H GLY 92 H GLY 92 4.583 -8.958 -1.025 710 HA2 GLY 92 1HA GLY 92 3.221 -11.347 -0.623 711 HA3 GLY 92 2HA GLY 92 4.898 -11.067 -0.192 712 H LEU 93 H LEU 93 4.948 -9.485 1.901 713 HA LEU 93 HA LEU 93 3.967 -11.062 4.060 714 HB2 LEU 93 1HB LEU 93 5.517 -8.472 3.873 715 HB3 LEU 93 2HB LEU 93 4.840 -8.946 5.413 716 HG LEU 93 HG LEU 93 7.162 -9.577 5.349 717 HD11 LEU 93 1HD1 LEU 93 5.669 -11.060 6.558 718 HD12 LEU 93 2HD1 LEU 93 7.037 -11.940 5.889 719 HD13 LEU 93 3HD1 LEU 93 5.451 -12.064 5.120 720 HD21 LEU 93 3HD2 LEU 93 6.571 -11.186 2.846 721 HD22 LEU 93 1HD2 LEU 93 8.100 -11.167 3.733 722 HD23 LEU 93 2HD2 LEU 93 7.520 -9.701 2.952 723 H TYR 94 H TYR 94 2.972 -7.987 2.604 724 HA TYR 94 HA TYR 94 1.147 -7.367 4.746 725 HB2 TYR 94 1HB TYR 94 1.884 -6.003 2.158 726 HB3 TYR 94 2HB TYR 94 0.513 -5.440 3.109 727 HD1 TYR 94 HD2 TYR 94 3.263 -6.787 5.096 728 HD2 TYR 94 HD1 TYR 94 1.816 -3.239 3.197 729 HE1 TYR 94 HE2 TYR 94 4.718 -5.429 6.524 730 HE2 TYR 94 HE1 TYR 94 3.282 -1.892 4.630 731 HH TYR 94 HH TYR 94 5.797 -3.193 6.438 732 H ALA 95 H ALA 95 0.821 -9.331 1.945 733 HA ALA 95 HA ALA 95 -1.981 -9.333 1.723 734 HB1 ALA 95 3HB ALA 95 -0.475 -10.494 0.164 735 HB2 ALA 95 1HB ALA 95 -1.708 -11.590 0.791 736 HB3 ALA 95 2HB ALA 95 -0.058 -11.662 1.420 737 H GLN 96 H GLN 96 -0.019 -10.204 4.357 738 HA GLN 96 HA GLN 96 -2.028 -11.834 5.747 739 HB2 GLN 96 1HB GLN 96 0.747 -10.917 6.643 740 HB3 GLN 96 2HB GLN 96 -0.319 -11.968 7.577 741 HG2 GLN 96 1HG GLN 96 0.943 -12.620 4.888 742 HG3 GLN 96 2HG GLN 96 1.438 -13.253 6.459 743 HE21 GLN 96 2HE2 GLN 96 -0.918 -13.469 3.903 744 HE22 GLN 96 1HE2 GLN 96 -1.723 -14.881 4.483 745 HA PRO 97 HA PRO 97 -3.565 -8.097 7.837 746 HB2 PRO 97 1HB PRO 97 -5.284 -9.262 9.588 747 HB3 PRO 97 2HB PRO 97 -5.611 -9.211 7.851 748 HG2 PRO 97 1HG PRO 97 -4.478 -11.471 9.495 749 HG3 PRO 97 2HG PRO 97 -5.751 -11.523 8.257 750 HD2 PRO 97 1HD PRO 97 -3.153 -12.204 7.731 751 HD3 PRO 97 2HD PRO 97 -4.227 -11.505 6.505 752 H ASN 98 H ASN 98 -3.909 -7.352 10.122 753 HA ASN 98 HA ASN 98 -3.078 -6.578 12.062 754 HB2 ASN 98 1HB ASN 98 -3.854 -8.831 12.827 755 HB3 ASN 98 2HB ASN 98 -2.228 -9.456 12.588 756 HD21 ASN 98 2HD2 ASN 98 -0.605 -8.872 14.063 757 HD22 ASN 98 1HD2 ASN 98 -0.963 -8.137 15.583 758 H GLN 99 H GLN 99 -1.544 -5.423 10.650 759 HA GLN 99 HA GLN 99 1.177 -5.702 11.749 760 HB2 GLN 99 1HB GLN 99 0.555 -5.292 8.778 761 HB3 GLN 99 2HB GLN 99 2.154 -5.084 9.495 762 HG2 GLN 99 1HG GLN 99 2.234 -7.451 10.093 763 HG3 GLN 99 2HG GLN 99 0.594 -7.692 9.492 764 HE21 GLN 99 2HE2 GLN 99 0.234 -7.664 7.252 765 HE22 GLN 99 1HE2 GLN 99 1.523 -7.920 6.141 766 H GLY 100 H GLY 100 -1.522 -3.770 11.127 767 HA2 GLY 100 1HA GLY 100 -1.507 -1.426 11.896 768 HA3 GLY 100 2HA GLY 100 -0.015 -1.200 10.989 769 H LEU 101 H LEU 101 -1.701 -3.211 9.222 770 HA LEU 101 HA LEU 101 -2.574 -1.356 7.199 771 HB2 LEU 101 1HB LEU 101 -2.958 -4.365 7.428 772 HB3 LEU 101 2HB LEU 101 -3.337 -3.420 5.992 773 HG LEU 101 HG LEU 101 -0.543 -3.671 7.186 774 HD11 LEU 101 1HD1 LEU 101 -0.024 -5.157 5.332 775 HD12 LEU 101 2HD1 LEU 101 -1.694 -5.080 4.766 776 HD13 LEU 101 3HD1 LEU 101 -1.316 -5.826 6.322 777 HD21 LEU 101 3HD2 LEU 101 -0.858 -1.571 5.942 778 HD22 LEU 101 1HD2 LEU 101 -1.445 -2.471 4.538 779 HD23 LEU 101 2HD2 LEU 101 0.226 -2.654 5.076 780 H VAL 102 H VAL 102 -4.772 -1.531 6.220 781 HA VAL 102 HA VAL 102 -6.834 -0.973 8.107 782 HB VAL 102 HB VAL 102 -8.391 -0.909 6.107 783 HG11 VAL 102 1HG1 VAL 102 -5.816 0.711 5.838 784 HG12 VAL 102 2HG1 VAL 102 -7.224 1.133 6.816 785 HG13 VAL 102 3HG1 VAL 102 -7.358 1.093 5.060 786 HG21 VAL 102 3HG2 VAL 102 -7.440 -1.109 3.834 787 HG22 VAL 102 1HG2 VAL 102 -7.276 -2.632 4.715 788 HG23 VAL 102 2HG2 VAL 102 -5.879 -1.573 4.514 789 H CYS 103 H CYS 103 -6.292 -3.798 5.951 790 HA CYS 103 HA CYS 103 -7.212 -5.755 7.772 791 HB2 CYS 103 1HB CYS 103 -9.457 -4.780 7.191 792 HB3 CYS 103 2HB CYS 103 -9.166 -5.182 5.506 793 HG CYS 103 HG CYS 103 -8.834 -8.013 6.352 794 H ALA 104 H ALA 104 -4.976 -5.296 6.177 795 HA ALA 104 HA ALA 104 -3.385 -6.514 5.108 796 HB1 ALA 104 3HB ALA 104 -3.747 -8.782 4.274 797 HB2 ALA 104 1HB ALA 104 -5.500 -8.606 4.453 798 HB3 ALA 104 2HB ALA 104 -4.460 -8.620 5.874 799 H LEU 105 H LEU 105 -3.103 -7.568 2.741 800 HA LEU 105 HA LEU 105 -4.357 -5.737 0.782 801 HB2 LEU 105 1HB LEU 105 -1.783 -7.365 0.553 802 HB3 LEU 105 2HB LEU 105 -2.415 -6.271 -0.665 803 HG LEU 105 HG LEU 105 -1.143 -5.592 1.999 804 HD11 LEU 105 1HD1 LEU 105 -0.514 -4.682 -0.822 805 HD12 LEU 105 2HD1 LEU 105 0.376 -5.876 0.129 806 HD13 LEU 105 3HD1 LEU 105 0.341 -4.194 0.647 807 HD21 LEU 105 3HD2 LEU 105 -1.697 -3.215 1.649 808 HD22 LEU 105 1HD2 LEU 105 -3.127 -4.205 1.935 809 HD23 LEU 105 2HD2 LEU 105 -2.745 -3.663 0.301 810 H LEU 106 H LEU 106 -6.139 -6.742 0.090 811 HA LEU 106 HA LEU 106 -6.115 -9.662 -0.456 812 HB2 LEU 106 1HB LEU 106 -8.601 -9.611 -0.024 813 HB3 LEU 106 2HB LEU 106 -7.596 -9.339 1.376 814 HG LEU 106 HG LEU 106 -8.891 -7.009 -0.090 815 HD11 LEU 106 1HD1 LEU 106 -10.709 -8.557 0.511 816 HD12 LEU 106 2HD1 LEU 106 -10.767 -7.096 1.495 817 HD13 LEU 106 3HD1 LEU 106 -10.139 -8.598 2.180 818 HD21 LEU 106 3HD2 LEU 106 -8.688 -5.848 2.071 819 HD22 LEU 106 1HD2 LEU 106 -7.112 -6.420 1.530 820 HD23 LEU 106 2HD2 LEU 106 -7.972 -7.287 2.799 821 H LEU 107 H LEU 107 -7.593 -6.596 -1.596 822 HA LEU 107 HA LEU 107 -7.818 -7.738 -4.338 823 HB2 LEU 107 1HB LEU 107 -9.460 -5.593 -2.931 824 HB3 LEU 107 2HB LEU 107 -9.365 -5.644 -4.677 825 HG LEU 107 HG LEU 107 -10.329 -7.976 -4.603 826 HD11 LEU 107 1HD1 LEU 107 -10.885 -7.339 -1.695 827 HD12 LEU 107 2HD1 LEU 107 -9.826 -8.611 -2.309 828 HD13 LEU 107 3HD1 LEU 107 -11.559 -8.698 -2.606 829 HD21 LEU 107 3HD2 LEU 107 -12.633 -7.203 -4.346 830 HD22 LEU 107 1HD2 LEU 107 -11.668 -5.993 -5.194 831 HD23 LEU 107 2HD2 LEU 107 -12.083 -5.762 -3.491 832 HA PRO 108 HA PRO 108 -4.708 -4.446 -5.131 833 HB2 PRO 108 1HB PRO 108 -4.811 -5.385 -7.952 834 HB3 PRO 108 2HB PRO 108 -3.427 -5.281 -6.861 835 HG2 PRO 108 1HG PRO 108 -4.503 -7.663 -7.580 836 HG3 PRO 108 2HG PRO 108 -3.796 -7.405 -5.969 837 HD2 PRO 108 1HD PRO 108 -6.708 -7.383 -6.796 838 HD3 PRO 108 2HD PRO 108 -5.954 -8.133 -5.366 839 H VAL 109 H VAL 109 -6.402 -4.771 -8.199 840 HA VAL 109 HA VAL 109 -8.397 -2.737 -7.655 841 HB VAL 109 HB VAL 109 -6.008 -2.187 -9.470 842 HG11 VAL 109 1HG1 VAL 109 -7.220 -0.336 -10.609 843 HG12 VAL 109 2HG1 VAL 109 -8.723 -0.868 -9.854 844 HG13 VAL 109 3HG1 VAL 109 -7.900 -1.916 -11.008 845 HG21 VAL 109 3HG2 VAL 109 -6.149 0.097 -8.439 846 HG22 VAL 109 1HG2 VAL 109 -5.971 -1.178 -7.229 847 HG23 VAL 109 2HG2 VAL 109 -7.550 -0.442 -7.499 Start of MODEL 13 1 H1 MET 1 1H MET 1 -21.364 4.900 -36.175 2 H2 MET 1 2H MET 1 -21.130 6.197 -35.132 3 H3 MET 1 3H MET 1 -22.071 6.410 -36.513 4 HA MET 1 HA MET 1 -23.467 6.241 -34.597 5 HB2 MET 1 1HB MET 1 -23.601 3.656 -36.214 6 HB3 MET 1 2HB MET 1 -24.930 4.394 -35.327 7 HG2 MET 1 1HG MET 1 -25.228 4.805 -37.680 8 HG3 MET 1 2HG MET 1 -24.823 6.340 -36.902 9 HE1 MET 1 3HE MET 1 -23.130 6.674 -40.454 10 HE2 MET 1 1HE MET 1 -24.263 7.399 -39.317 11 HE3 MET 1 2HE MET 1 -24.655 5.863 -40.094 12 H GLY 2 H GLY 2 -22.952 5.896 -32.484 13 HA2 GLY 2 1HA GLY 2 -22.114 3.187 -31.619 14 HA3 GLY 2 2HA GLY 2 -21.140 4.582 -31.167 15 H HIS 3 H HIS 3 -22.808 2.574 -29.651 16 HA HIS 3 HA HIS 3 -24.841 4.149 -28.251 17 HB2 HIS 3 1HB HIS 3 -23.782 1.348 -27.614 18 HB3 HIS 3 2HB HIS 3 -25.257 2.074 -26.988 19 HD1 HIS 3 HD1 HIS 3 -27.326 2.061 -28.533 20 HD2 HIS 3 HD2 HIS 3 -23.960 0.307 -30.212 21 HE1 HIS 3 HE1 HIS 3 -28.156 0.826 -30.555 22 HE2 HIS 3 HE2 HIS 3 -26.073 -0.084 -31.644 23 H HIS 4 H HIS 4 -24.404 3.249 -25.573 24 HA HIS 4 HA HIS 4 -22.015 4.586 -24.664 25 HB2 HIS 4 1HB HIS 4 -22.632 3.773 -22.410 26 HB3 HIS 4 2HB HIS 4 -24.003 4.524 -23.201 27 HD1 HIS 4 HD1 HIS 4 -26.103 3.149 -23.450 28 HD2 HIS 4 HD2 HIS 4 -22.869 0.911 -22.117 29 HE1 HIS 4 HE1 HIS 4 -27.063 0.929 -22.767 30 HE2 HIS 4 HE2 HIS 4 -25.071 -0.442 -22.047 31 H HIS 5 H HIS 5 -19.998 3.731 -24.473 32 HA HIS 5 HA HIS 5 -19.488 0.893 -24.217 33 HB2 HIS 5 1HB HIS 5 -18.122 0.689 -26.297 34 HB3 HIS 5 2HB HIS 5 -19.812 1.017 -26.660 35 HD1 HIS 5 HD1 HIS 5 -16.400 2.592 -26.812 36 HD2 HIS 5 HD2 HIS 5 -20.294 3.443 -27.978 37 HE1 HIS 5 HE1 HIS 5 -16.232 4.605 -28.304 38 HE2 HIS 5 HE2 HIS 5 -18.587 5.026 -29.084 39 H HIS 6 H HIS 6 -17.635 0.572 -23.131 40 HA HIS 6 HA HIS 6 -15.403 2.472 -23.157 41 HB2 HIS 6 1HB HIS 6 -16.902 1.724 -20.600 42 HB3 HIS 6 2HB HIS 6 -15.289 2.435 -20.607 43 HD1 HIS 6 HD1 HIS 6 -18.884 3.280 -21.007 44 HD2 HIS 6 HD2 HIS 6 -15.213 5.191 -21.387 45 HE1 HIS 6 HE1 HIS 6 -19.414 5.731 -21.136 46 HE2 HIS 6 HE2 HIS 6 -17.173 6.869 -21.215 47 H HIS 7 H HIS 7 -13.582 1.467 -21.669 48 HA HIS 7 HA HIS 7 -13.622 -1.425 -21.450 49 HB2 HIS 7 1HB HIS 7 -13.104 -0.906 -23.915 50 HB3 HIS 7 2HB HIS 7 -11.593 -0.192 -23.374 51 HD1 HIS 7 HD1 HIS 7 -9.656 -1.780 -23.076 52 HD2 HIS 7 HD2 HIS 7 -13.305 -3.757 -23.350 53 HE1 HIS 7 HE1 HIS 7 -9.094 -4.220 -23.268 54 HE2 HIS 7 HE2 HIS 7 -11.308 -5.371 -23.590 55 H HIS 8 H HIS 8 -13.258 -0.843 -19.252 56 HA HIS 8 HA HIS 8 -10.728 0.371 -18.475 57 HB2 HIS 8 1HB HIS 8 -13.042 -0.799 -16.876 58 HB3 HIS 8 2HB HIS 8 -11.531 -0.333 -16.101 59 HD1 HIS 8 HD1 HIS 8 -11.134 2.124 -15.675 60 HD2 HIS 8 HD2 HIS 8 -14.516 1.405 -17.973 61 HE1 HIS 8 HE1 HIS 8 -12.316 4.332 -15.830 62 HE2 HIS 8 HE2 HIS 8 -14.415 3.847 -17.142 63 H SER 9 H SER 9 -9.131 -0.911 -19.238 64 HA SER 9 HA SER 9 -8.797 -3.599 -18.038 65 HB2 SER 9 1HB SER 9 -7.539 -4.181 -20.180 66 HB3 SER 9 2HB SER 9 -9.276 -3.947 -20.389 67 HG SER 9 HG SER 9 -7.243 -2.028 -20.945 68 H HIS 10 H HIS 10 -7.627 -2.691 -16.335 69 HA HIS 10 HA HIS 10 -5.287 -1.077 -16.699 70 HB2 HIS 10 1HB HIS 10 -4.878 -1.416 -14.318 71 HB3 HIS 10 2HB HIS 10 -6.586 -1.090 -14.571 72 HD1 HIS 10 HD1 HIS 10 -4.938 -2.767 -12.249 73 HD2 HIS 10 HD2 HIS 10 -7.603 -4.212 -15.080 74 HE1 HIS 10 HE1 HIS 10 -5.825 -4.911 -11.297 75 HE2 HIS 10 HE2 HIS 10 -7.277 -5.856 -13.117 76 H MET 11 H MET 11 -3.146 -1.674 -16.851 77 HA MET 11 HA MET 11 -2.507 -4.370 -17.670 78 HB2 MET 11 1HB MET 11 -1.454 -2.382 -18.745 79 HB3 MET 11 2HB MET 11 -0.667 -1.978 -17.227 80 HG2 MET 11 1HG MET 11 0.641 -4.062 -17.345 81 HG3 MET 11 2HG MET 11 -0.176 -4.490 -18.852 82 HE1 MET 11 3HE MET 11 2.191 -4.828 -20.052 83 HE2 MET 11 1HE MET 11 3.035 -4.394 -18.563 84 HE3 MET 11 2HE MET 11 3.456 -3.599 -20.082 85 H SER 12 H SER 12 -2.242 -2.454 -14.792 86 HA SER 12 HA SER 12 -1.482 -4.708 -13.137 87 HB2 SER 12 1HB SER 12 0.329 -2.252 -13.413 88 HB3 SER 12 2HB SER 12 0.472 -3.441 -12.120 89 HG SER 12 HG SER 12 0.545 -4.948 -14.129 90 H TRP 13 H TRP 13 -1.392 -3.928 -10.735 91 HA TRP 13 HA TRP 13 -3.315 -1.770 -10.185 92 HB2 TRP 13 1HB TRP 13 -2.935 -2.636 -7.747 93 HB3 TRP 13 2HB TRP 13 -3.853 -3.662 -8.838 94 HD1 TRP 13 HD1 TRP 13 -2.909 -6.064 -9.343 95 HE1 TRP 13 HE1 TRP 13 -0.908 -7.423 -8.500 96 HE3 TRP 13 HE3 TRP 13 -0.341 -2.361 -6.886 97 HZ2 TRP 13 HZ2 TRP 13 1.440 -7.015 -7.018 98 HZ3 TRP 13 HZ3 TRP 13 1.785 -2.949 -5.805 99 HH2 TRP 13 HH2 TRP 13 2.658 -5.222 -5.863 100 H TYR 14 H TYR 14 0.030 -2.707 -10.141 101 HA TYR 14 HA TYR 14 1.049 -0.357 -8.845 102 HB2 TYR 14 1HB TYR 14 2.458 -2.378 -8.989 103 HB3 TYR 14 2HB TYR 14 2.413 -2.331 -10.747 104 HD1 TYR 14 HD1 TYR 14 3.796 -0.666 -7.717 105 HD2 TYR 14 HD2 TYR 14 3.882 -0.801 -11.987 106 HE1 TYR 14 HE1 TYR 14 5.779 0.786 -7.728 107 HE2 TYR 14 HE2 TYR 14 5.865 0.641 -11.993 108 HH TYR 14 HH TYR 14 7.603 1.391 -9.115 109 H HIS 15 H HIS 15 0.522 1.593 -9.692 110 HA HIS 15 HA HIS 15 0.425 1.935 -12.637 111 HB2 HIS 15 1HB HIS 15 -0.764 3.690 -10.433 112 HB3 HIS 15 2HB HIS 15 -0.893 3.999 -12.161 113 HD1 HIS 15 HD1 HIS 15 -2.441 2.340 -13.536 114 HD2 HIS 15 HD2 HIS 15 -2.623 1.922 -9.408 115 HE1 HIS 15 HE1 HIS 15 -4.495 0.967 -13.089 116 HE2 HIS 15 HE2 HIS 15 -4.485 0.596 -10.602 117 H ARG 16 H ARG 16 2.132 2.929 -13.520 118 HA ARG 16 HA ARG 16 4.430 3.535 -11.996 119 HB2 ARG 16 1HB ARG 16 4.267 2.637 -14.414 120 HB3 ARG 16 2HB ARG 16 4.030 4.301 -14.921 121 HG2 ARG 16 1HG ARG 16 6.491 3.387 -13.382 122 HG3 ARG 16 2HG ARG 16 6.388 3.317 -15.140 123 HD2 ARG 16 1HD ARG 16 6.242 5.814 -13.418 124 HD3 ARG 16 2HD ARG 16 7.579 5.336 -14.469 125 HE ARG 16 HE ARG 16 5.427 5.479 -16.151 126 HH11 ARG 16 1HH1 ARG 16 6.799 7.797 -13.894 127 HH12 ARG 16 2HH1 ARG 16 6.390 9.165 -14.876 128 HH21 ARG 16 1HH2 ARG 16 4.864 7.287 -17.394 129 HH22 ARG 16 2HH2 ARG 16 5.278 8.882 -16.842 130 H ASP 17 H ASP 17 2.205 5.752 -13.803 131 HA ASP 17 HA ASP 17 3.290 8.016 -12.222 132 HB2 ASP 17 1HB ASP 17 3.641 8.265 -14.662 133 HB3 ASP 17 2HB ASP 17 1.918 8.037 -14.952 134 H LEU 18 H LEU 18 1.866 7.288 -10.473 135 HA LEU 18 HA LEU 18 -0.833 8.447 -10.742 136 HB2 LEU 18 1HB LEU 18 -0.890 5.962 -10.709 137 HB3 LEU 18 2HB LEU 18 -0.005 5.951 -9.192 138 HG LEU 18 HG LEU 18 -1.932 7.033 -8.052 139 HD11 LEU 18 1HD1 LEU 18 -2.857 8.321 -9.903 140 HD12 LEU 18 2HD1 LEU 18 -4.087 7.284 -9.187 141 HD13 LEU 18 3HD1 LEU 18 -3.345 6.836 -10.725 142 HD21 LEU 18 3HD2 LEU 18 -3.451 5.114 -8.083 143 HD22 LEU 18 1HD2 LEU 18 -1.769 4.585 -8.079 144 HD23 LEU 18 2HD2 LEU 18 -2.709 4.524 -9.572 145 H SER 19 H SER 19 -1.321 9.916 -9.234 146 HA SER 19 HA SER 19 0.533 10.466 -6.998 147 HB2 SER 19 1HB SER 19 -1.688 12.187 -8.175 148 HB3 SER 19 2HB SER 19 -0.527 12.689 -6.938 149 HG SER 19 HG SER 19 0.769 11.652 -9.060 150 H ARG 20 H ARG 20 -0.731 11.393 -4.948 151 HA ARG 20 HA ARG 20 -1.947 9.131 -3.819 152 HB2 ARG 20 1HB ARG 20 -0.658 10.620 -2.410 153 HB3 ARG 20 2HB ARG 20 -1.755 11.961 -2.738 154 HG2 ARG 20 1HG ARG 20 -3.583 10.732 -1.583 155 HG3 ARG 20 2HG ARG 20 -2.465 9.418 -1.224 156 HD2 ARG 20 1HD ARG 20 -1.174 10.835 0.239 157 HD3 ARG 20 2HD ARG 20 -2.091 12.264 -0.251 158 HE ARG 20 HE ARG 20 -4.082 10.859 0.690 159 HH11 ARG 20 1HH1 ARG 20 -0.874 11.013 2.124 160 HH12 ARG 20 2HH1 ARG 20 -1.463 10.795 3.734 161 HH21 ARG 20 1HH2 ARG 20 -4.821 10.581 2.817 162 HH22 ARG 20 2HH2 ARG 20 -3.689 10.561 4.130 163 H ALA 21 H ALA 21 -3.442 12.351 -4.379 164 HA ALA 21 HA ALA 21 -6.024 11.719 -3.555 165 HB1 ALA 21 3HB ALA 21 -6.735 13.721 -4.789 166 HB2 ALA 21 1HB ALA 21 -5.201 13.733 -5.674 167 HB3 ALA 21 2HB ALA 21 -5.222 14.020 -3.936 168 H ALA 22 H ALA 22 -4.595 11.508 -6.781 169 HA ALA 22 HA ALA 22 -6.846 10.494 -8.175 170 HB1 ALA 22 3HB ALA 22 -3.891 10.197 -8.821 171 HB2 ALA 22 1HB ALA 22 -4.923 11.548 -9.292 172 HB3 ALA 22 2HB ALA 22 -5.232 9.939 -9.945 173 H ALA 23 H ALA 23 -4.376 8.910 -6.218 174 HA ALA 23 HA ALA 23 -4.734 6.230 -7.138 175 HB1 ALA 23 3HB ALA 23 -2.693 6.944 -5.953 176 HB2 ALA 23 1HB ALA 23 -3.448 5.565 -5.151 177 HB3 ALA 23 2HB ALA 23 -3.626 7.189 -4.475 178 H GLU 24 H GLU 24 -5.878 7.935 -4.223 179 HA GLU 24 HA GLU 24 -7.533 5.824 -3.294 180 HB2 GLU 24 1HB GLU 24 -8.445 7.574 -1.725 181 HB3 GLU 24 2HB GLU 24 -6.695 7.375 -1.692 182 HG2 GLU 24 1HG GLU 24 -6.503 9.369 -3.195 183 HG3 GLU 24 2HG GLU 24 -8.244 9.600 -3.036 184 H GLU 25 H GLU 25 -8.102 8.420 -5.600 185 HA GLU 25 HA GLU 25 -10.931 8.056 -5.815 186 HB2 GLU 25 1HB GLU 25 -8.859 9.089 -7.788 187 HB3 GLU 25 2HB GLU 25 -10.571 8.985 -8.196 188 HG2 GLU 25 1HG GLU 25 -11.119 10.515 -6.352 189 HG3 GLU 25 2HG GLU 25 -9.411 10.612 -5.914 190 H LEU 26 H LEU 26 -8.203 6.669 -7.690 191 HA LEU 26 HA LEU 26 -9.659 4.773 -9.148 192 HB2 LEU 26 1HB LEU 26 -6.771 4.707 -8.228 193 HB3 LEU 26 2HB LEU 26 -7.459 3.455 -9.246 194 HG LEU 26 HG LEU 26 -7.065 6.377 -9.981 195 HD11 LEU 26 1HD1 LEU 26 -5.014 5.047 -10.073 196 HD12 LEU 26 2HD1 LEU 26 -5.534 5.499 -11.693 197 HD13 LEU 26 3HD1 LEU 26 -5.805 3.854 -11.109 198 HD21 LEU 26 3HD2 LEU 26 -9.180 5.649 -10.940 199 HD22 LEU 26 1HD2 LEU 26 -8.424 4.195 -11.603 200 HD23 LEU 26 2HD2 LEU 26 -7.971 5.790 -12.208 201 H LEU 27 H LEU 27 -8.509 4.609 -5.810 202 HA LEU 27 HA LEU 27 -9.180 1.893 -5.316 203 HB2 LEU 27 1HB LEU 27 -8.888 4.311 -3.525 204 HB3 LEU 27 2HB LEU 27 -9.411 2.774 -2.868 205 HG LEU 27 HG LEU 27 -6.752 3.183 -4.283 206 HD11 LEU 27 1HD1 LEU 27 -5.722 3.158 -2.056 207 HD12 LEU 27 2HD1 LEU 27 -7.312 3.088 -1.298 208 HD13 LEU 27 3HD1 LEU 27 -6.832 4.516 -2.218 209 HD21 LEU 27 3HD2 LEU 27 -6.147 1.003 -3.338 210 HD22 LEU 27 1HD2 LEU 27 -7.564 0.865 -4.378 211 HD23 LEU 27 2HD2 LEU 27 -7.754 0.849 -2.623 212 H ALA 28 H ALA 28 -10.982 4.948 -4.992 213 HA ALA 28 HA ALA 28 -13.249 3.914 -3.660 214 HB1 ALA 28 3HB ALA 28 -13.035 6.434 -5.342 215 HB2 ALA 28 1HB ALA 28 -12.612 6.301 -3.634 216 HB3 ALA 28 2HB ALA 28 -14.288 6.086 -4.146 217 H ARG 29 H ARG 29 -12.596 4.463 -7.123 218 HA ARG 29 HA ARG 29 -15.278 3.594 -7.901 219 HB2 ARG 29 1HB ARG 29 -12.929 4.609 -9.553 220 HB3 ARG 29 2HB ARG 29 -14.408 4.000 -10.279 221 HG2 ARG 29 1HG ARG 29 -14.559 6.387 -10.289 222 HG3 ARG 29 2HG ARG 29 -15.676 5.812 -9.052 223 HD2 ARG 29 1HD ARG 29 -14.108 6.428 -7.293 224 HD3 ARG 29 2HD ARG 29 -12.878 6.839 -8.488 225 HE ARG 29 HE ARG 29 -15.331 8.375 -7.891 226 HH11 ARG 29 1HH1 ARG 29 -12.172 8.227 -9.449 227 HH12 ARG 29 2HH1 ARG 29 -12.107 9.935 -9.746 228 HH21 ARG 29 1HH2 ARG 29 -15.189 10.630 -8.252 229 HH22 ARG 29 2HH2 ARG 29 -13.810 11.286 -9.073 230 H ALA 30 H ALA 30 -11.885 2.475 -8.493 231 HA ALA 30 HA ALA 30 -12.799 0.089 -9.869 232 HB1 ALA 30 3HB ALA 30 -10.687 1.153 -10.571 233 HB2 ALA 30 1HB ALA 30 -10.454 -0.532 -10.083 234 HB3 ALA 30 2HB ALA 30 -9.985 0.772 -8.994 235 H GLY 31 H GLY 31 -10.790 0.541 -6.854 236 HA2 GLY 31 1HA GLY 31 -10.923 -2.103 -6.031 237 HA3 GLY 31 2HA GLY 31 -10.534 -0.717 -5.033 238 H ARG 32 H ARG 32 -12.431 -3.251 -5.126 239 HA ARG 32 HA ARG 32 -15.029 -2.244 -4.444 240 HB2 ARG 32 1HB ARG 32 -13.870 -5.040 -4.179 241 HB3 ARG 32 2HB ARG 32 -15.588 -4.624 -4.144 242 HG2 ARG 32 1HG ARG 32 -15.473 -3.859 -6.472 243 HG3 ARG 32 2HG ARG 32 -13.734 -4.160 -6.507 244 HD2 ARG 32 1HD ARG 32 -14.990 -5.942 -7.645 245 HD3 ARG 32 2HD ARG 32 -14.120 -6.562 -6.241 246 HE ARG 32 HE ARG 32 -16.116 -7.005 -5.192 247 HH11 ARG 32 1HH1 ARG 32 -16.816 -5.229 -8.156 248 HH12 ARG 32 2HH1 ARG 32 -18.520 -5.522 -8.058 249 HH21 ARG 32 1HH2 ARG 32 -18.323 -7.401 -5.110 250 HH22 ARG 32 2HH2 ARG 32 -19.375 -6.745 -6.323 251 H ASP 33 H ASP 33 -12.274 -3.436 -2.570 252 HA ASP 33 HA ASP 33 -12.772 -2.544 -0.062 253 HB2 ASP 33 1HB ASP 33 -14.737 -4.634 -0.629 254 HB3 ASP 33 2HB ASP 33 -13.644 -5.266 0.588 255 H GLY 34 H GLY 34 -10.870 -3.004 1.095 256 HA2 GLY 34 1HA GLY 34 -8.935 -4.078 1.753 257 HA3 GLY 34 2HA GLY 34 -9.559 -5.563 1.045 258 H SER 35 H SER 35 -9.297 -2.628 -0.795 259 HA SER 35 HA SER 35 -7.698 -4.003 -2.803 260 HB2 SER 35 1HB SER 35 -8.997 -1.248 -2.961 261 HB3 SER 35 2HB SER 35 -8.491 -2.288 -4.300 262 HG SER 35 HG SER 35 -10.174 -3.665 -2.737 263 H PHE 36 H PHE 36 -5.744 -3.175 -3.640 264 HA PHE 36 HA PHE 36 -4.433 -0.981 -2.224 265 HB2 PHE 36 1HB PHE 36 -2.489 -2.286 -1.651 266 HB3 PHE 36 2HB PHE 36 -3.884 -3.162 -1.037 267 HD1 PHE 36 HD1 PHE 36 -4.757 -5.170 -2.431 268 HD2 PHE 36 HD2 PHE 36 -0.940 -3.362 -3.111 269 HE1 PHE 36 HE1 PHE 36 -4.015 -7.174 -3.644 270 HE2 PHE 36 HE2 PHE 36 -0.216 -5.373 -4.318 271 HZ PHE 36 HZ PHE 36 -1.744 -7.275 -4.587 272 H LEU 37 H LEU 37 -2.829 -0.008 -3.398 273 HA LEU 37 HA LEU 37 -1.863 -1.194 -5.904 274 HB2 LEU 37 1HB LEU 37 -2.063 1.010 -7.055 275 HB3 LEU 37 2HB LEU 37 -3.614 0.349 -6.587 276 HG LEU 37 HG LEU 37 -3.350 1.949 -4.482 277 HD11 LEU 37 1HD1 LEU 37 -2.219 4.062 -4.981 278 HD12 LEU 37 2HD1 LEU 37 -1.555 3.372 -6.463 279 HD13 LEU 37 3HD1 LEU 37 -1.091 2.714 -4.891 280 HD21 LEU 37 3HD2 LEU 37 -4.577 3.727 -5.637 281 HD22 LEU 37 1HD2 LEU 37 -5.162 2.132 -6.115 282 HD23 LEU 37 2HD2 LEU 37 -4.121 3.049 -7.203 283 H VAL 38 H VAL 38 0.306 -0.481 -6.436 284 HA VAL 38 HA VAL 38 1.652 1.189 -4.394 285 HB VAL 38 HB VAL 38 2.940 -1.136 -5.912 286 HG11 VAL 38 1HG1 VAL 38 4.949 -0.663 -4.505 287 HG12 VAL 38 2HG1 VAL 38 4.146 0.774 -3.866 288 HG13 VAL 38 3HG1 VAL 38 4.555 0.678 -5.582 289 HG21 VAL 38 3HG2 VAL 38 3.177 -2.222 -3.701 290 HG22 VAL 38 1HG2 VAL 38 1.478 -1.931 -4.082 291 HG23 VAL 38 2HG2 VAL 38 2.319 -0.879 -2.941 292 H ARG 39 H ARG 39 3.174 2.616 -5.203 293 HA ARG 39 HA ARG 39 3.543 3.179 -7.999 294 HB2 ARG 39 1HB ARG 39 2.320 5.390 -7.892 295 HB3 ARG 39 2HB ARG 39 1.231 4.004 -7.757 296 HG2 ARG 39 1HG ARG 39 1.198 4.292 -5.293 297 HG3 ARG 39 2HG ARG 39 2.253 5.703 -5.452 298 HD2 ARG 39 1HD ARG 39 0.488 6.842 -6.779 299 HD3 ARG 39 2HD ARG 39 -0.557 5.430 -6.581 300 HE ARG 39 HE ARG 39 -0.977 6.038 -4.415 301 HH11 ARG 39 1HH1 ARG 39 1.584 8.079 -5.684 302 HH12 ARG 39 2HH1 ARG 39 1.637 9.078 -4.271 303 HH21 ARG 39 1HH2 ARG 39 -0.869 7.334 -2.570 304 HH22 ARG 39 2HH2 ARG 39 0.257 8.651 -2.498 305 H ASP 40 H ASP 40 4.329 5.723 -7.891 306 HA ASP 40 HA ASP 40 6.448 5.916 -5.865 307 HB2 ASP 40 1HB ASP 40 6.029 7.022 -8.597 308 HB3 ASP 40 2HB ASP 40 6.623 8.236 -7.474 309 H SER 41 H SER 41 6.408 7.392 -4.255 310 HA SER 41 HA SER 41 4.218 9.079 -3.605 311 HB2 SER 41 1HB SER 41 5.768 8.289 -1.870 312 HB3 SER 41 2HB SER 41 7.133 9.067 -2.663 313 HG SER 41 HG SER 41 5.366 10.087 -0.909 314 H GLU 42 H GLU 42 4.396 11.452 -3.478 315 HA GLU 42 HA GLU 42 5.803 12.650 -5.808 316 HB2 GLU 42 1HB GLU 42 3.463 14.010 -4.436 317 HB3 GLU 42 2HB GLU 42 4.090 14.253 -6.055 318 HG2 GLU 42 1HG GLU 42 2.133 13.168 -6.558 319 HG3 GLU 42 2HG GLU 42 3.218 11.781 -6.440 320 H SER 43 H SER 43 5.626 12.432 -2.433 321 HA SER 43 HA SER 43 6.530 15.094 -1.759 322 HB2 SER 43 1HB SER 43 6.363 12.610 0.020 323 HB3 SER 43 2HB SER 43 6.486 14.291 0.549 324 HG SER 43 HG SER 43 4.426 14.435 -0.859 325 H VAL 44 H VAL 44 7.936 11.844 -1.149 326 HA VAL 44 HA VAL 44 10.619 13.013 -0.885 327 HB VAL 44 HB VAL 44 9.677 10.154 -0.352 328 HG11 VAL 44 1HG1 VAL 44 11.792 9.884 0.914 329 HG12 VAL 44 2HG1 VAL 44 12.289 11.504 0.419 330 HG13 VAL 44 3HG1 VAL 44 12.089 10.235 -0.792 331 HG21 VAL 44 3HG2 VAL 44 9.703 10.762 2.051 332 HG22 VAL 44 1HG2 VAL 44 8.529 11.728 1.152 333 HG23 VAL 44 2HG2 VAL 44 10.076 12.431 1.628 334 H ALA 45 H ALA 45 11.851 13.096 -2.583 335 HA ALA 45 HA ALA 45 12.242 12.905 -4.925 336 HB1 ALA 45 3HB ALA 45 13.908 10.866 -3.435 337 HB2 ALA 45 1HB ALA 45 14.184 12.606 -3.470 338 HB3 ALA 45 2HB ALA 45 14.353 11.661 -4.948 339 H GLY 46 H GLY 46 12.754 9.474 -4.140 340 HA2 GLY 46 1HA GLY 46 10.646 8.637 -6.030 341 HA3 GLY 46 2HA GLY 46 12.288 7.993 -6.136 342 H ALA 47 H ALA 47 9.819 8.587 -3.652 343 HA ALA 47 HA ALA 47 10.512 6.119 -2.241 344 HB1 ALA 47 3HB ALA 47 8.936 6.924 -0.524 345 HB2 ALA 47 1HB ALA 47 8.492 8.282 -1.560 346 HB3 ALA 47 2HB ALA 47 10.131 8.158 -0.921 347 H PHE 48 H PHE 48 8.715 4.654 -1.553 348 HA PHE 48 HA PHE 48 6.909 4.056 -3.803 349 HB2 PHE 48 1HB PHE 48 7.701 2.215 -1.493 350 HB3 PHE 48 2HB PHE 48 6.964 1.750 -3.020 351 HD1 PHE 48 HD2 PHE 48 10.117 2.935 -1.435 352 HD2 PHE 48 HD1 PHE 48 8.332 1.375 -5.000 353 HE1 PHE 48 HE2 PHE 48 12.350 2.575 -2.399 354 HE2 PHE 48 HE1 PHE 48 10.575 1.031 -5.953 355 HZ PHE 48 HZ PHE 48 12.578 1.626 -4.659 356 H ALA 49 H ALA 49 4.801 4.440 -3.538 357 HA ALA 49 HA ALA 49 3.663 4.828 -0.826 358 HB1 ALA 49 3HB ALA 49 3.579 6.822 -2.268 359 HB2 ALA 49 1HB ALA 49 1.954 6.218 -1.938 360 HB3 ALA 49 2HB ALA 49 2.709 5.913 -3.504 361 H LEU 50 H LEU 50 2.090 3.502 -0.179 362 HA LEU 50 HA LEU 50 0.888 1.511 -2.022 363 HB2 LEU 50 1HB LEU 50 2.444 0.387 -0.503 364 HB3 LEU 50 2HB LEU 50 1.799 1.257 0.876 365 HG LEU 50 HG LEU 50 -0.345 0.000 0.669 366 HD11 LEU 50 1HD1 LEU 50 -0.523 -1.991 -0.736 367 HD12 LEU 50 2HD1 LEU 50 1.032 -1.620 -1.486 368 HD13 LEU 50 3HD1 LEU 50 -0.340 -0.531 -1.705 369 HD21 LEU 50 3HD2 LEU 50 2.106 -1.763 0.971 370 HD22 LEU 50 1HD2 LEU 50 0.480 -2.135 1.554 371 HD23 LEU 50 2HD2 LEU 50 1.366 -0.770 2.231 372 H CYS 51 H CYS 51 -1.221 2.166 -2.314 373 HA CYS 51 HA CYS 51 -2.604 3.618 -0.115 374 HB2 CYS 51 1HB CYS 51 -3.223 3.698 -3.103 375 HB3 CYS 51 2HB CYS 51 -3.984 4.673 -1.845 376 HG CYS 51 HG CYS 51 -0.684 4.992 -1.876 377 H VAL 52 H VAL 52 -4.300 2.595 0.791 378 HA VAL 52 HA VAL 52 -5.441 0.192 -0.461 379 HB VAL 52 HB VAL 52 -4.534 0.373 2.449 380 HG11 VAL 52 1HG1 VAL 52 -5.766 -1.982 0.964 381 HG12 VAL 52 2HG1 VAL 52 -6.549 -1.027 2.225 382 HG13 VAL 52 3HG1 VAL 52 -5.146 -2.024 2.617 383 HG21 VAL 52 3HG2 VAL 52 -2.838 -1.329 1.884 384 HG22 VAL 52 1HG2 VAL 52 -2.597 0.148 0.947 385 HG23 VAL 52 2HG2 VAL 52 -3.327 -1.269 0.192 386 H LEU 53 H LEU 53 -7.603 0.231 -0.431 387 HA LEU 53 HA LEU 53 -9.078 1.995 1.422 388 HB2 LEU 53 1HB LEU 53 -9.389 2.411 -1.020 389 HB3 LEU 53 2HB LEU 53 -9.922 0.754 -1.227 390 HG LEU 53 HG LEU 53 -11.896 1.249 0.263 391 HD11 LEU 53 1HD1 LEU 53 -10.998 3.125 1.544 392 HD12 LEU 53 2HD1 LEU 53 -12.501 3.576 0.746 393 HD13 LEU 53 3HD1 LEU 53 -10.959 4.128 0.090 394 HD21 LEU 53 3HD2 LEU 53 -11.668 2.993 -2.205 395 HD22 LEU 53 1HD2 LEU 53 -13.168 2.492 -1.417 396 HD23 LEU 53 2HD2 LEU 53 -12.126 1.285 -2.171 397 H TYR 54 H TYR 54 -10.718 1.135 2.662 398 HA TYR 54 HA TYR 54 -11.789 -1.500 2.347 399 HB2 TYR 54 1HB TYR 54 -9.622 -2.096 3.422 400 HB3 TYR 54 2HB TYR 54 -9.976 -1.006 4.759 401 HD1 TYR 54 HD1 TYR 54 -11.530 -3.953 2.985 402 HD2 TYR 54 HD2 TYR 54 -10.886 -1.965 6.707 403 HE1 TYR 54 HE1 TYR 54 -12.658 -5.794 4.164 404 HE2 TYR 54 HE2 TYR 54 -12.007 -3.796 7.885 405 HH TYR 54 HH TYR 54 -13.654 -5.555 7.422 406 H GLN 55 H GLN 55 -13.847 -1.122 2.784 407 HA GLN 55 HA GLN 55 -15.786 -0.086 3.392 408 HB2 GLN 55 1HB GLN 55 -14.492 -0.279 6.133 409 HB3 GLN 55 2HB GLN 55 -16.219 -0.075 5.841 410 HG2 GLN 55 1HG GLN 55 -16.269 -2.272 4.700 411 HG3 GLN 55 2HG GLN 55 -14.545 -2.470 5.033 412 HE21 GLN 55 2HE2 GLN 55 -17.729 -2.305 6.474 413 HE22 GLN 55 1HE2 GLN 55 -17.306 -3.075 7.960 414 H LYS 56 H LYS 56 -14.729 1.860 2.189 415 HA LYS 56 HA LYS 56 -14.174 4.014 1.904 416 HB2 LYS 56 1HB LYS 56 -16.653 4.038 2.608 417 HB3 LYS 56 2HB LYS 56 -16.107 4.614 4.178 418 HG2 LYS 56 1HG LYS 56 -15.094 6.607 3.090 419 HG3 LYS 56 2HG LYS 56 -15.657 6.029 1.518 420 HD2 LYS 56 1HD LYS 56 -18.012 6.201 2.359 421 HD3 LYS 56 2HD LYS 56 -17.389 6.866 3.875 422 HE2 LYS 56 1HE LYS 56 -17.024 8.118 1.124 423 HE3 LYS 56 2HE LYS 56 -18.208 8.631 2.329 424 HZ1 LYS 56 3HZ LYS 56 -15.251 8.697 2.695 425 HZ2 LYS 56 1HZ LYS 56 -16.401 9.211 3.820 426 HZ3 LYS 56 2HZ LYS 56 -16.235 10.031 2.347 427 H HIS 57 H HIS 57 -12.481 2.605 3.829 428 HA HIS 57 HA HIS 57 -11.386 4.918 5.360 429 HB2 HIS 57 1HB HIS 57 -11.854 2.769 6.685 430 HB3 HIS 57 2HB HIS 57 -10.597 1.979 5.744 431 HD1 HIS 57 HD1 HIS 57 -10.804 2.845 8.954 432 HD2 HIS 57 HD2 HIS 57 -8.259 4.306 6.013 433 HE1 HIS 57 HE1 HIS 57 -8.825 3.775 10.178 434 HE2 HIS 57 HE2 HIS 57 -7.368 4.773 8.388 435 H VAL 58 H VAL 58 -10.198 5.948 3.903 436 HA VAL 58 HA VAL 58 -8.370 4.606 2.078 437 HB VAL 58 HB VAL 58 -8.810 7.586 2.633 438 HG11 VAL 58 1HG1 VAL 58 -7.458 7.985 0.577 439 HG12 VAL 58 2HG1 VAL 58 -7.103 6.257 0.480 440 HG13 VAL 58 3HG1 VAL 58 -6.509 7.207 1.845 441 HG21 VAL 58 3HG2 VAL 58 -10.760 6.511 1.572 442 HG22 VAL 58 1HG2 VAL 58 -9.730 5.869 0.291 443 HG23 VAL 58 2HG2 VAL 58 -9.966 7.612 0.445 444 H HIS 59 H HIS 59 -6.298 4.267 2.525 445 HA HIS 59 HA HIS 59 -4.893 5.827 4.550 446 HB2 HIS 59 1HB HIS 59 -5.766 3.661 5.699 447 HB3 HIS 59 2HB HIS 59 -4.580 2.796 4.717 448 HD1 HIS 59 HD1 HIS 59 -2.017 3.485 5.150 449 HD2 HIS 59 HD2 HIS 59 -4.749 4.925 7.925 450 HE1 HIS 59 HE1 HIS 59 -0.647 4.267 7.101 451 HE2 HIS 59 HE2 HIS 59 -2.327 5.064 8.789 452 H THR 60 H THR 60 -2.867 6.310 3.866 453 HA THR 60 HA THR 60 -1.682 4.751 1.640 454 HB THR 60 HB THR 60 -0.318 6.861 1.228 455 HG1 THR 60 HG1 THR 60 -0.657 7.771 3.338 456 HG21 THR 60 3HG2 THR 60 -2.343 6.410 -0.150 457 HG22 THR 60 1HG2 THR 60 -2.111 8.137 0.116 458 HG23 THR 60 2HG2 THR 60 -3.334 7.263 1.038 459 H TYR 61 H TYR 61 0.280 3.829 2.020 460 HA TYR 61 HA TYR 61 1.670 4.274 4.577 461 HB2 TYR 61 1HB TYR 61 1.845 1.780 2.811 462 HB3 TYR 61 2HB TYR 61 2.449 1.972 4.452 463 HD1 TYR 61 HD2 TYR 61 -0.620 1.566 2.396 464 HD2 TYR 61 HD1 TYR 61 0.978 1.593 6.360 465 HE1 TYR 61 HE2 TYR 61 -2.712 0.644 3.249 466 HE2 TYR 61 HE1 TYR 61 -1.135 0.665 7.204 467 HH TYR 61 HH TYR 61 -3.523 -0.613 5.093 468 H ARG 62 H ARG 62 3.122 5.819 3.948 469 HA ARG 62 HA ARG 62 4.456 5.709 1.367 470 HB2 ARG 62 1HB ARG 62 5.619 7.796 2.169 471 HB3 ARG 62 2HB ARG 62 3.864 7.911 2.151 472 HG2 ARG 62 1HG ARG 62 3.830 7.565 4.610 473 HG3 ARG 62 2HG ARG 62 5.593 7.491 4.620 474 HD2 ARG 62 1HD ARG 62 5.689 9.817 3.795 475 HD3 ARG 62 2HD ARG 62 3.920 9.880 3.757 476 HE ARG 62 HE ARG 62 4.972 9.177 6.345 477 HH11 ARG 62 1HH1 ARG 62 4.219 11.922 4.288 478 HH12 ARG 62 2HH1 ARG 62 4.028 13.012 5.623 479 HH21 ARG 62 1HH2 ARG 62 4.708 10.624 8.073 480 HH22 ARG 62 2HH2 ARG 62 4.298 12.281 7.759 481 H ILE 63 H ILE 63 5.602 3.624 1.621 482 HA ILE 63 HA ILE 63 7.819 3.336 3.227 483 HB ILE 63 HB ILE 63 7.498 2.565 0.290 484 HG12 ILE 63 1HG1 ILE 63 6.742 0.908 2.740 485 HG13 ILE 63 2HG1 ILE 63 5.598 1.757 1.704 486 HG21 ILE 63 1HG2 ILE 63 9.320 1.352 2.385 487 HG22 ILE 63 2HG2 ILE 63 9.817 2.329 1.002 488 HG23 ILE 63 3HG2 ILE 63 9.093 0.741 0.747 489 HD11 ILE 63 3HD1 ILE 63 5.691 -0.614 1.200 490 HD12 ILE 63 1HD1 ILE 63 7.413 -0.500 0.836 491 HD13 ILE 63 2HD1 ILE 63 6.233 0.341 -0.178 492 H LEU 64 H LEU 64 9.533 4.595 3.426 493 HA LEU 64 HA LEU 64 10.535 6.211 1.161 494 HB2 LEU 64 1HB LEU 64 10.995 6.443 4.170 495 HB3 LEU 64 2HB LEU 64 12.023 7.255 3.004 496 HG LEU 64 HG LEU 64 10.042 8.556 2.193 497 HD11 LEU 64 1HD1 LEU 64 8.550 7.297 4.506 498 HD12 LEU 64 2HD1 LEU 64 8.216 7.058 2.789 499 HD13 LEU 64 3HD1 LEU 64 7.976 8.645 3.517 500 HD21 LEU 64 3HD2 LEU 64 10.636 8.847 5.153 501 HD22 LEU 64 1HD2 LEU 64 9.901 10.082 4.123 502 HD23 LEU 64 2HD2 LEU 64 11.555 9.554 3.823 503 HA PRO 65 HA PRO 65 13.534 2.840 0.731 504 HB2 PRO 65 1HB PRO 65 15.456 4.332 -0.708 505 HB3 PRO 65 2HB PRO 65 14.120 3.409 -1.418 506 HG2 PRO 65 1HG PRO 65 14.320 6.345 -0.832 507 HG3 PRO 65 2HG PRO 65 13.526 5.526 -2.192 508 HD2 PRO 65 1HD PRO 65 12.115 6.561 -0.134 509 HD3 PRO 65 2HD PRO 65 11.600 5.074 -0.960 510 H ASP 66 H ASP 66 15.515 5.836 1.000 511 HA ASP 66 HA ASP 66 15.755 7.022 3.032 512 HB2 ASP 66 1HB ASP 66 14.701 5.452 4.610 513 HB3 ASP 66 2HB ASP 66 15.994 4.286 4.372 514 H GLY 67 H GLY 67 17.873 4.116 3.432 515 HA2 GLY 67 1HA GLY 67 20.195 5.690 2.689 516 HA3 GLY 67 2HA GLY 67 20.159 4.038 3.276 517 H GLU 68 H GLU 68 18.157 4.980 0.499 518 HA GLU 68 HA GLU 68 18.062 4.397 -1.630 519 HB2 GLU 68 1HB GLU 68 21.074 4.768 -1.446 520 HB3 GLU 68 2HB GLU 68 20.150 4.779 -2.952 521 HG2 GLU 68 1HG GLU 68 18.933 6.770 -2.234 522 HG3 GLU 68 2HG GLU 68 19.716 6.727 -0.658 523 H ASP 69 H ASP 69 19.370 2.055 0.362 524 HA ASP 69 HA ASP 69 19.975 0.124 -1.790 525 HB2 ASP 69 1HB ASP 69 20.614 0.119 1.200 526 HB3 ASP 69 2HB ASP 69 20.772 -1.334 0.217 527 H PHE 70 H PHE 70 17.964 0.611 1.036 528 HA PHE 70 HA PHE 70 16.364 -1.827 0.478 529 HB2 PHE 70 1HB PHE 70 15.773 -1.696 2.921 530 HB3 PHE 70 2HB PHE 70 17.466 -2.032 2.633 531 HD1 PHE 70 HD2 PHE 70 19.178 -0.196 3.026 532 HD2 PHE 70 HD1 PHE 70 15.076 0.277 4.158 533 HE1 PHE 70 HE2 PHE 70 19.800 1.671 4.506 534 HE2 PHE 70 HE1 PHE 70 15.715 2.143 5.637 535 HZ PHE 70 HZ PHE 70 18.071 2.839 5.812 536 H LEU 71 H LEU 71 14.023 -1.579 0.670 537 HA LEU 71 HA LEU 71 13.033 1.194 0.987 538 HB2 LEU 71 1HB LEU 71 10.992 0.533 -0.179 539 HB3 LEU 71 2HB LEU 71 12.402 0.226 -1.152 540 HG LEU 71 HG LEU 71 12.056 -2.283 -0.228 541 HD11 LEU 71 1HD1 LEU 71 9.218 -1.220 -0.183 542 HD12 LEU 71 2HD1 LEU 71 10.129 -1.829 1.201 543 HD13 LEU 71 3HD1 LEU 71 9.693 -2.921 -0.109 544 HD21 LEU 71 3HD2 LEU 71 10.466 -1.118 -2.541 545 HD22 LEU 71 1HD2 LEU 71 10.840 -2.833 -2.304 546 HD23 LEU 71 2HD2 LEU 71 12.138 -1.678 -2.597 547 H ALA 72 H ALA 72 12.425 1.640 2.993 548 HA ALA 72 HA ALA 72 11.611 -0.546 4.813 549 HB1 ALA 72 3HB ALA 72 13.571 0.775 5.475 550 HB2 ALA 72 1HB ALA 72 12.249 0.993 6.622 551 HB3 ALA 72 2HB ALA 72 12.611 2.253 5.438 552 H VAL 73 H VAL 73 9.625 -0.694 5.507 553 HA VAL 73 HA VAL 73 7.570 1.162 4.570 554 HB VAL 73 HB VAL 73 7.164 -1.407 6.176 555 HG11 VAL 73 1HG1 VAL 73 5.188 0.063 6.132 556 HG12 VAL 73 2HG1 VAL 73 4.891 -1.402 5.200 557 HG13 VAL 73 3HG1 VAL 73 5.240 0.112 4.363 558 HG21 VAL 73 3HG2 VAL 73 6.819 -2.592 4.046 559 HG22 VAL 73 1HG2 VAL 73 8.456 -1.952 4.167 560 HG23 VAL 73 2HG2 VAL 73 7.264 -1.135 3.152 561 H GLN 74 H GLN 74 6.430 2.542 5.894 562 HA GLN 74 HA GLN 74 7.337 2.794 8.697 563 HB2 GLN 74 1HB GLN 74 6.275 4.812 6.686 564 HB3 GLN 74 2HB GLN 74 6.081 5.122 8.403 565 HG2 GLN 74 1HG GLN 74 8.055 6.262 7.506 566 HG3 GLN 74 2HG GLN 74 8.495 5.083 8.741 567 HE21 GLN 74 2HE2 GLN 74 9.687 3.243 8.138 568 HE22 GLN 74 1HE2 GLN 74 10.466 3.109 6.602 569 H THR 75 H THR 75 6.041 1.209 9.604 570 HA THR 75 HA THR 75 3.156 1.263 9.324 571 HB THR 75 HB THR 75 3.297 -0.515 11.179 572 HG1 THR 75 HG1 THR 75 5.411 -1.336 11.606 573 HG21 THR 75 3HG2 THR 75 4.202 -2.291 9.710 574 HG22 THR 75 1HG2 THR 75 4.936 -1.068 8.665 575 HG23 THR 75 2HG2 THR 75 3.179 -1.188 8.788 576 H SER 76 H SER 76 5.309 1.469 12.213 577 HA SER 76 HA SER 76 4.442 4.121 12.931 578 HB2 SER 76 1HB SER 76 3.680 1.834 14.816 579 HB3 SER 76 2HB SER 76 3.530 3.552 15.186 580 HG SER 76 HG SER 76 2.187 3.421 13.069 581 H GLN 77 H GLN 77 6.214 5.106 13.901 582 HA GLN 77 HA GLN 77 8.400 3.642 15.078 583 HB2 GLN 77 1HB GLN 77 7.593 6.573 15.442 584 HB3 GLN 77 2HB GLN 77 9.118 5.866 15.972 585 HG2 GLN 77 1HG GLN 77 9.734 5.426 13.626 586 HG3 GLN 77 2HG GLN 77 8.200 6.112 13.089 587 HE21 GLN 77 2HE2 GLN 77 10.929 6.952 12.454 588 HE22 GLN 77 1HE2 GLN 77 11.051 8.610 12.928 589 H GLY 78 H GLY 78 7.916 2.347 16.892 590 HA2 GLY 78 1HA GLY 78 6.971 2.708 19.291 591 HA3 GLY 78 2HA GLY 78 5.478 2.994 18.396 592 H VAL 79 H VAL 79 6.266 1.088 16.267 593 HA VAL 79 HA VAL 79 6.039 -1.532 17.649 594 HB VAL 79 HB VAL 79 4.458 -2.361 16.005 595 HG11 VAL 79 1HG1 VAL 79 3.478 0.324 17.035 596 HG12 VAL 79 2HG1 VAL 79 3.448 -1.209 17.909 597 HG13 VAL 79 3HG1 VAL 79 2.453 -0.999 16.469 598 HG21 VAL 79 3HG2 VAL 79 3.483 -0.927 14.189 599 HG22 VAL 79 1HG2 VAL 79 5.206 -1.251 13.969 600 HG23 VAL 79 2HG2 VAL 79 4.675 0.317 14.571 601 HA PRO 80 HA PRO 80 9.548 -2.961 15.202 602 HB2 PRO 80 1HB PRO 80 7.802 -5.321 14.477 603 HB3 PRO 80 2HB PRO 80 9.477 -5.302 15.057 604 HG2 PRO 80 1HG PRO 80 7.528 -5.909 16.753 605 HG3 PRO 80 2HG PRO 80 8.832 -4.822 17.279 606 HD2 PRO 80 1HD PRO 80 6.013 -4.145 16.447 607 HD3 PRO 80 2HD PRO 80 6.994 -3.457 17.762 608 H VAL 81 H VAL 81 9.964 -1.807 13.414 609 HA VAL 81 HA VAL 81 8.273 -1.468 11.149 610 HB VAL 81 HB VAL 81 9.874 0.275 11.804 611 HG11 VAL 81 1HG1 VAL 81 12.108 -1.690 11.166 612 HG12 VAL 81 2HG1 VAL 81 11.662 -1.100 12.764 613 HG13 VAL 81 3HG1 VAL 81 12.328 0.016 11.578 614 HG21 VAL 81 3HG2 VAL 81 10.931 0.769 9.625 615 HG22 VAL 81 1HG2 VAL 81 9.281 0.177 9.430 616 HG23 VAL 81 2HG2 VAL 81 10.642 -0.894 9.110 617 H ARG 82 H ARG 82 8.322 -2.490 9.160 618 HA ARG 82 HA ARG 82 10.103 -4.833 8.784 619 HB2 ARG 82 1HB ARG 82 7.379 -4.211 7.548 620 HB3 ARG 82 2HB ARG 82 8.370 -5.606 7.130 621 HG2 ARG 82 1HG ARG 82 7.260 -5.077 9.916 622 HG3 ARG 82 2HG ARG 82 6.472 -6.091 8.707 623 HD2 ARG 82 1HD ARG 82 7.661 -7.546 10.227 624 HD3 ARG 82 2HD ARG 82 8.520 -7.557 8.685 625 HE ARG 82 HE ARG 82 9.512 -5.686 10.690 626 HH11 ARG 82 1HH1 ARG 82 9.882 -8.893 9.314 627 HH12 ARG 82 2HH1 ARG 82 11.519 -9.067 9.861 628 HH21 ARG 82 1HH2 ARG 82 11.663 -5.923 11.376 629 HH22 ARG 82 2HH2 ARG 82 12.522 -7.388 11.024 630 H ARG 83 H ARG 83 11.761 -4.426 7.459 631 HA ARG 83 HA ARG 83 11.486 -2.579 5.186 632 HB2 ARG 83 1HB ARG 83 13.395 -2.127 6.585 633 HB3 ARG 83 2HB ARG 83 13.859 -3.817 6.648 634 HG2 ARG 83 1HG ARG 83 13.904 -2.388 3.999 635 HG3 ARG 83 2HG ARG 83 15.188 -2.066 5.162 636 HD2 ARG 83 1HD ARG 83 14.477 -4.762 3.932 637 HD3 ARG 83 2HD ARG 83 15.927 -3.802 3.631 638 HE ARG 83 HE ARG 83 15.914 -4.267 6.339 639 HH11 ARG 83 1HH1 ARG 83 16.034 -6.334 3.486 640 HH12 ARG 83 2HH1 ARG 83 16.862 -7.608 4.324 641 HH21 ARG 83 1HH2 ARG 83 17.004 -5.935 7.376 642 HH22 ARG 83 2HH2 ARG 83 17.420 -7.374 6.504 643 H PHE 84 H PHE 84 11.841 -3.286 3.112 644 HA PHE 84 HA PHE 84 12.381 -6.139 2.570 645 HB2 PHE 84 1HB PHE 84 10.253 -4.496 1.108 646 HB3 PHE 84 2HB PHE 84 10.659 -6.182 0.796 647 HD1 PHE 84 HD2 PHE 84 10.290 -7.872 2.732 648 HD2 PHE 84 HD1 PHE 84 8.543 -3.972 2.680 649 HE1 PHE 84 HE2 PHE 84 8.641 -8.586 4.400 650 HE2 PHE 84 HE1 PHE 84 6.900 -4.694 4.362 651 HZ PHE 84 HZ PHE 84 6.951 -6.999 5.221 652 H GLN 85 H GLN 85 13.244 -6.474 0.369 653 HA GLN 85 HA GLN 85 14.739 -4.145 -0.694 654 HB2 GLN 85 1HB GLN 85 16.034 -6.198 -0.164 655 HB3 GLN 85 2HB GLN 85 15.031 -7.133 -1.256 656 HG2 GLN 85 1HG GLN 85 17.235 -6.646 -2.220 657 HG3 GLN 85 2HG GLN 85 15.938 -5.924 -3.175 658 HE21 GLN 85 2HE2 GLN 85 18.591 -5.259 -0.953 659 HE22 GLN 85 1HE2 GLN 85 18.722 -3.572 -1.317 660 H THR 86 H THR 86 11.926 -6.022 -1.283 661 HA THR 86 HA THR 86 11.690 -5.159 -4.068 662 HB THR 86 HB THR 86 11.365 -8.084 -3.202 663 HG1 THR 86 HG1 THR 86 13.424 -6.697 -4.548 664 HG21 THR 86 3HG2 THR 86 11.017 -8.567 -5.613 665 HG22 THR 86 1HG2 THR 86 11.076 -6.843 -5.973 666 HG23 THR 86 2HG2 THR 86 9.757 -7.494 -4.994 667 H LEU 87 H LEU 87 9.594 -4.734 -4.582 668 HA LEU 87 HA LEU 87 7.616 -4.341 -2.614 669 HB2 LEU 87 1HB LEU 87 7.332 -4.513 -5.634 670 HB3 LEU 87 2HB LEU 87 6.051 -3.970 -4.554 671 HG LEU 87 HG LEU 87 8.741 -2.582 -4.926 672 HD11 LEU 87 1HD1 LEU 87 5.998 -1.764 -5.933 673 HD12 LEU 87 2HD1 LEU 87 7.342 -2.351 -6.916 674 HD13 LEU 87 3HD1 LEU 87 7.482 -0.813 -6.067 675 HD21 LEU 87 3HD2 LEU 87 6.329 -1.730 -3.278 676 HD22 LEU 87 1HD2 LEU 87 7.776 -0.759 -3.566 677 HD23 LEU 87 2HD2 LEU 87 7.894 -2.257 -2.648 678 H GLY 88 H GLY 88 8.181 -7.092 -4.793 679 HA2 GLY 88 1HA GLY 88 5.885 -8.613 -4.370 680 HA3 GLY 88 2HA GLY 88 7.483 -9.278 -4.674 681 H GLU 89 H GLU 89 8.709 -8.251 -2.259 682 HA GLU 89 HA GLU 89 8.020 -10.255 -0.327 683 HB2 GLU 89 1HB GLU 89 9.765 -7.772 -0.023 684 HB3 GLU 89 2HB GLU 89 9.681 -9.099 1.130 685 HG2 GLU 89 1HG GLU 89 10.633 -10.629 -0.545 686 HG3 GLU 89 2HG GLU 89 10.696 -9.303 -1.716 687 H LEU 90 H LEU 90 7.462 -6.764 -0.625 688 HA LEU 90 HA LEU 90 6.223 -6.184 1.812 689 HB2 LEU 90 1HB LEU 90 6.891 -4.387 0.317 690 HB3 LEU 90 2HB LEU 90 5.860 -4.997 -0.962 691 HG LEU 90 HG LEU 90 3.854 -4.444 0.582 692 HD11 LEU 90 1HD1 LEU 90 4.187 -2.722 2.284 693 HD12 LEU 90 2HD1 LEU 90 5.936 -2.808 2.058 694 HD13 LEU 90 3HD1 LEU 90 5.056 -4.204 2.688 695 HD21 LEU 90 3HD2 LEU 90 3.787 -2.088 -0.123 696 HD22 LEU 90 1HD2 LEU 90 4.340 -3.143 -1.425 697 HD23 LEU 90 2HD2 LEU 90 5.502 -2.153 -0.539 698 H ILE 91 H ILE 91 4.667 -6.854 -1.314 699 HA ILE 91 HA ILE 91 2.013 -6.980 -0.442 700 HB ILE 91 HB ILE 91 3.171 -8.408 -2.877 701 HG12 ILE 91 1HG1 ILE 91 3.921 -6.091 -2.991 702 HG13 ILE 91 2HG1 ILE 91 2.641 -6.308 -4.174 703 HG21 ILE 91 1HG2 ILE 91 0.856 -9.053 -2.394 704 HG22 ILE 91 2HG2 ILE 91 0.935 -8.105 -3.878 705 HG23 ILE 91 3HG2 ILE 91 0.365 -7.356 -2.385 706 HD11 ILE 91 3HD1 ILE 91 2.442 -4.183 -3.085 707 HD12 ILE 91 1HD1 ILE 91 2.422 -4.940 -1.493 708 HD13 ILE 91 2HD1 ILE 91 1.082 -5.196 -2.613 709 H GLY 92 H GLY 92 4.453 -9.488 -0.868 710 HA2 GLY 92 1HA GLY 92 3.025 -11.829 -0.491 711 HA3 GLY 92 2HA GLY 92 4.710 -11.607 -0.062 712 H LEU 93 H LEU 93 4.802 -10.034 2.053 713 HA LEU 93 HA LEU 93 3.770 -11.662 4.186 714 HB2 LEU 93 1HB LEU 93 5.990 -10.546 4.340 715 HB3 LEU 93 2HB LEU 93 5.203 -8.974 4.312 716 HG LEU 93 HG LEU 93 4.029 -9.612 6.487 717 HD11 LEU 93 1HD1 LEU 93 5.954 -11.954 6.499 718 HD12 LEU 93 2HD1 LEU 93 4.198 -12.040 6.334 719 HD13 LEU 93 3HD1 LEU 93 4.908 -11.453 7.835 720 HD21 LEU 93 3HD2 LEU 93 7.058 -9.509 6.601 721 HD22 LEU 93 1HD2 LEU 93 5.952 -9.156 7.933 722 HD23 LEU 93 2HD2 LEU 93 5.968 -8.124 6.506 723 H TYR 94 H TYR 94 2.824 -8.581 2.718 724 HA TYR 94 HA TYR 94 1.083 -7.879 4.939 725 HB2 TYR 94 1HB TYR 94 1.926 -6.414 2.430 726 HB3 TYR 94 2HB TYR 94 0.607 -5.815 3.428 727 HD1 TYR 94 HD2 TYR 94 3.662 -7.420 4.870 728 HD2 TYR 94 HD1 TYR 94 1.677 -3.727 4.036 729 HE1 TYR 94 HE2 TYR 94 5.247 -6.237 6.324 730 HE2 TYR 94 HE1 TYR 94 3.265 -2.549 5.488 731 HH TYR 94 HH TYR 94 4.752 -3.082 7.410 732 H ALA 95 H ALA 95 0.655 -9.932 2.372 733 HA ALA 95 HA ALA 95 -2.111 -9.333 1.745 734 HB1 ALA 95 3HB ALA 95 -2.060 -11.426 0.487 735 HB2 ALA 95 1HB ALA 95 -0.507 -11.860 1.217 736 HB3 ALA 95 2HB ALA 95 -0.621 -10.471 0.134 737 H GLN 96 H GLN 96 -0.978 -10.162 4.580 738 HA GLN 96 HA GLN 96 -3.303 -11.764 5.422 739 HB2 GLN 96 1HB GLN 96 -1.844 -13.169 6.879 740 HB3 GLN 96 2HB GLN 96 -1.478 -13.402 5.174 741 HG2 GLN 96 1HG GLN 96 0.472 -11.888 5.406 742 HG3 GLN 96 2HG GLN 96 0.137 -11.729 7.131 743 HE21 GLN 96 2HE2 GLN 96 0.584 -13.484 8.493 744 HE22 GLN 96 1HE2 GLN 96 1.563 -14.811 7.985 745 HA PRO 97 HA PRO 97 -3.542 -8.832 8.932 746 HB2 PRO 97 1HB PRO 97 -3.331 -11.306 10.681 747 HB3 PRO 97 2HB PRO 97 -4.436 -9.925 10.819 748 HG2 PRO 97 1HG PRO 97 -5.321 -12.186 9.755 749 HG3 PRO 97 2HG PRO 97 -5.762 -10.632 9.007 750 HD2 PRO 97 1HD PRO 97 -3.739 -12.675 8.101 751 HD3 PRO 97 2HD PRO 97 -4.831 -11.658 7.131 752 H ASN 98 H ASN 98 -1.893 -7.614 9.470 753 HA ASN 98 HA ASN 98 0.783 -8.772 10.111 754 HB2 ASN 98 1HB ASN 98 0.091 -6.056 8.920 755 HB3 ASN 98 2HB ASN 98 1.716 -6.535 9.387 756 HD21 ASN 98 2HD2 ASN 98 2.758 -8.217 8.198 757 HD22 ASN 98 1HD2 ASN 98 2.240 -8.620 6.603 758 H GLN 99 H GLN 99 -0.959 -5.691 10.895 759 HA GLN 99 HA GLN 99 -0.682 -4.977 13.318 760 HB2 GLN 99 1HB GLN 99 1.430 -6.230 13.708 761 HB3 GLN 99 2HB GLN 99 2.250 -5.259 12.489 762 HG2 GLN 99 1HG GLN 99 1.995 -3.250 13.900 763 HG3 GLN 99 2HG GLN 99 1.117 -4.199 15.104 764 HE21 GLN 99 2HE2 GLN 99 4.233 -3.650 13.600 765 HE22 GLN 99 1HE2 GLN 99 5.182 -4.422 14.820 766 H GLY 100 H GLY 100 -1.733 -3.137 12.509 767 HA2 GLY 100 1HA GLY 100 -1.348 -0.762 12.513 768 HA3 GLY 100 2HA GLY 100 0.059 -1.000 11.486 769 H LEU 101 H LEU 101 -1.468 -2.981 9.826 770 HA LEU 101 HA LEU 101 -2.397 -1.127 7.844 771 HB2 LEU 101 1HB LEU 101 -2.883 -4.129 7.793 772 HB3 LEU 101 2HB LEU 101 -2.887 -3.020 6.431 773 HG LEU 101 HG LEU 101 -0.509 -4.127 7.956 774 HD11 LEU 101 1HD1 LEU 101 0.191 -4.915 5.759 775 HD12 LEU 101 2HD1 LEU 101 -1.206 -4.149 4.998 776 HD13 LEU 101 3HD1 LEU 101 -1.433 -5.483 6.132 777 HD21 LEU 101 3HD2 LEU 101 0.994 -2.693 6.642 778 HD22 LEU 101 1HD2 LEU 101 -0.043 -1.743 7.703 779 HD23 LEU 101 2HD2 LEU 101 -0.395 -1.827 5.977 780 H VAL 102 H VAL 102 -4.455 -0.667 7.139 781 HA VAL 102 HA VAL 102 -6.734 -0.975 8.805 782 HB VAL 102 HB VAL 102 -8.062 -0.023 6.956 783 HG11 VAL 102 1HG1 VAL 102 -5.379 1.383 7.272 784 HG12 VAL 102 2HG1 VAL 102 -6.756 1.508 8.369 785 HG13 VAL 102 3HG1 VAL 102 -6.883 2.133 6.727 786 HG21 VAL 102 3HG2 VAL 102 -7.048 0.546 4.753 787 HG22 VAL 102 1HG2 VAL 102 -7.070 -1.200 5.023 788 HG23 VAL 102 2HG2 VAL 102 -5.567 -0.297 5.215 789 H CYS 103 H CYS 103 -5.417 -2.939 6.258 790 HA CYS 103 HA CYS 103 -6.980 -5.216 6.920 791 HB2 CYS 103 1HB CYS 103 -8.128 -5.523 4.745 792 HB3 CYS 103 2HB CYS 103 -8.672 -4.037 5.519 793 HG CYS 103 HG CYS 103 -6.690 -4.386 2.775 794 H ALA 104 H ALA 104 -6.463 -7.030 5.334 795 HA ALA 104 HA ALA 104 -3.677 -7.153 4.644 796 HB1 ALA 104 3HB ALA 104 -4.856 -9.151 5.439 797 HB2 ALA 104 1HB ALA 104 -4.225 -9.421 3.813 798 HB3 ALA 104 2HB ALA 104 -5.943 -9.093 4.049 799 H LEU 105 H LEU 105 -2.844 -7.400 2.496 800 HA LEU 105 HA LEU 105 -4.117 -5.742 0.503 801 HB2 LEU 105 1HB LEU 105 -1.554 -7.379 0.274 802 HB3 LEU 105 2HB LEU 105 -2.077 -6.098 -0.812 803 HG LEU 105 HG LEU 105 -1.049 -5.836 2.036 804 HD11 LEU 105 1HD1 LEU 105 -0.050 -4.619 -0.558 805 HD12 LEU 105 2HD1 LEU 105 0.666 -5.977 0.317 806 HD13 LEU 105 3HD1 LEU 105 0.646 -4.375 1.047 807 HD21 LEU 105 3HD2 LEU 105 -2.371 -3.625 0.424 808 HD22 LEU 105 1HD2 LEU 105 -1.475 -3.400 1.925 809 HD23 LEU 105 2HD2 LEU 105 -2.963 -4.342 1.925 810 H LEU 106 H LEU 106 -5.809 -6.638 -0.518 811 HA LEU 106 HA LEU 106 -5.688 -9.492 -1.356 812 HB2 LEU 106 1HB LEU 106 -8.107 -7.894 -0.440 813 HB3 LEU 106 2HB LEU 106 -8.167 -9.544 -1.047 814 HG LEU 106 HG LEU 106 -6.771 -8.634 1.505 815 HD11 LEU 106 1HD1 LEU 106 -9.201 -8.630 1.730 816 HD12 LEU 106 2HD1 LEU 106 -8.479 -9.914 2.694 817 HD13 LEU 106 3HD1 LEU 106 -9.280 -10.301 1.167 818 HD21 LEU 106 3HD2 LEU 106 -6.356 -11.031 1.946 819 HD22 LEU 106 1HD2 LEU 106 -5.516 -10.470 0.500 820 HD23 LEU 106 2HD2 LEU 106 -6.986 -11.436 0.348 821 H LEU 107 H LEU 107 -7.377 -6.427 -2.231 822 HA LEU 107 HA LEU 107 -7.973 -7.595 -4.874 823 HB2 LEU 107 1HB LEU 107 -9.275 -5.427 -3.225 824 HB3 LEU 107 2HB LEU 107 -9.475 -5.372 -4.960 825 HG LEU 107 HG LEU 107 -11.406 -6.428 -3.978 826 HD11 LEU 107 1HD1 LEU 107 -9.706 -8.501 -5.389 827 HD12 LEU 107 2HD1 LEU 107 -10.680 -7.243 -6.156 828 HD13 LEU 107 3HD1 LEU 107 -11.466 -8.513 -5.228 829 HD21 LEU 107 3HD2 LEU 107 -11.293 -8.515 -2.684 830 HD22 LEU 107 1HD2 LEU 107 -10.429 -7.206 -1.880 831 HD23 LEU 107 2HD2 LEU 107 -9.527 -8.462 -2.731 832 HA PRO 108 HA PRO 108 -5.070 -4.717 -6.843 833 HB2 PRO 108 1HB PRO 108 -6.435 -5.325 -9.407 834 HB3 PRO 108 2HB PRO 108 -4.794 -5.730 -8.902 835 HG2 PRO 108 1HG PRO 108 -6.707 -7.627 -9.188 836 HG3 PRO 108 2HG PRO 108 -5.437 -7.754 -7.946 837 HD2 PRO 108 1HD PRO 108 -8.288 -6.784 -7.650 838 HD3 PRO 108 2HD PRO 108 -7.385 -7.934 -6.635 839 H VAL 109 H VAL 109 -5.741 -3.271 -9.155 840 HA VAL 109 HA VAL 109 -7.952 -1.493 -8.575 841 HB VAL 109 HB VAL 109 -5.085 -0.414 -8.325 842 HG11 VAL 109 1HG1 VAL 109 -7.698 1.162 -8.452 843 HG12 VAL 109 2HG1 VAL 109 -6.443 1.132 -9.693 844 HG13 VAL 109 3HG1 VAL 109 -6.100 1.846 -8.120 845 HG21 VAL 109 3HG2 VAL 109 -5.965 -1.371 -6.205 846 HG22 VAL 109 1HG2 VAL 109 -7.386 -0.332 -6.316 847 HG23 VAL 109 2HG2 VAL 109 -5.786 0.380 -6.082 Start of MODEL 14 1 H1 MET 1 1H MET 1 19.339 0.179 -10.384 2 H2 MET 1 2H MET 1 20.195 -0.751 -9.269 3 H3 MET 1 3H MET 1 18.509 -0.819 -9.307 4 HA MET 1 HA MET 1 20.312 -1.674 -11.470 5 HB2 MET 1 1HB MET 1 18.738 -3.303 -9.430 6 HB3 MET 1 2HB MET 1 19.460 -3.997 -10.874 7 HG2 MET 1 1HG MET 1 21.697 -3.306 -10.064 8 HG3 MET 1 2HG MET 1 20.947 -2.681 -8.589 9 HE1 MET 1 3HE MET 1 22.666 -4.268 -7.175 10 HE2 MET 1 1HE MET 1 23.336 -4.884 -8.688 11 HE3 MET 1 2HE MET 1 22.797 -6.007 -7.440 12 H GLY 2 H GLY 2 19.349 -1.288 -13.332 13 HA2 GLY 2 1HA GLY 2 16.855 -2.297 -14.141 14 HA3 GLY 2 2HA GLY 2 16.659 -0.585 -13.762 15 H HIS 3 H HIS 3 19.541 -2.153 -15.073 16 HA HIS 3 HA HIS 3 19.740 -0.250 -17.249 17 HB2 HIS 3 1HB HIS 3 21.737 -1.013 -15.990 18 HB3 HIS 3 2HB HIS 3 21.480 -2.657 -16.550 19 HD1 HIS 3 HD1 HIS 3 22.184 -3.211 -18.969 20 HD2 HIS 3 HD2 HIS 3 22.907 0.736 -17.893 21 HE1 HIS 3 HE1 HIS 3 23.642 -2.277 -20.786 22 HE2 HIS 3 HE2 HIS 3 23.871 0.163 -20.226 23 H HIS 4 H HIS 4 18.087 -3.184 -16.879 24 HA HIS 4 HA HIS 4 17.718 -3.395 -19.820 25 HB2 HIS 4 1HB HIS 4 17.074 -5.419 -17.625 26 HB3 HIS 4 2HB HIS 4 16.605 -5.604 -19.308 27 HD1 HIS 4 HD1 HIS 4 18.823 -7.125 -17.270 28 HD2 HIS 4 HD2 HIS 4 19.372 -5.089 -20.847 29 HE1 HIS 4 HE1 HIS 4 20.939 -8.068 -18.250 30 HE2 HIS 4 HE2 HIS 4 21.312 -6.739 -20.362 31 H HIS 5 H HIS 5 16.526 -1.330 -19.506 32 HA HIS 5 HA HIS 5 14.006 -1.336 -18.100 33 HB2 HIS 5 1HB HIS 5 15.353 0.749 -18.475 34 HB3 HIS 5 2HB HIS 5 15.018 0.644 -20.197 35 HD1 HIS 5 HD1 HIS 5 13.551 1.736 -16.966 36 HD2 HIS 5 HD2 HIS 5 12.296 1.269 -20.901 37 HE1 HIS 5 HE1 HIS 5 11.403 3.026 -17.143 38 HE2 HIS 5 HE2 HIS 5 10.716 2.813 -19.556 39 H HIS 6 H HIS 6 12.617 -2.853 -18.860 40 HA HIS 6 HA HIS 6 11.738 -2.725 -21.683 41 HB2 HIS 6 1HB HIS 6 10.641 -4.963 -21.182 42 HB3 HIS 6 2HB HIS 6 12.398 -4.973 -21.154 43 HD1 HIS 6 HD1 HIS 6 9.416 -5.197 -18.842 44 HD2 HIS 6 HD2 HIS 6 13.531 -5.776 -18.725 45 HE1 HIS 6 HE1 HIS 6 9.884 -6.254 -16.619 46 HE2 HIS 6 HE2 HIS 6 12.362 -6.674 -16.600 47 H HIS 7 H HIS 7 9.837 -1.777 -22.082 48 HA HIS 7 HA HIS 7 8.266 -0.652 -19.916 49 HB2 HIS 7 1HB HIS 7 7.003 0.498 -21.756 50 HB3 HIS 7 2HB HIS 7 8.735 0.776 -21.820 51 HD1 HIS 7 HD1 HIS 7 9.877 0.274 -23.973 52 HD2 HIS 7 HD2 HIS 7 6.072 -1.377 -23.798 53 HE1 HIS 7 HE1 HIS 7 9.429 -0.612 -26.273 54 HE2 HIS 7 HE2 HIS 7 7.034 -1.401 -26.198 55 H HIS 8 H HIS 8 8.198 -3.643 -20.506 56 HA HIS 8 HA HIS 8 5.261 -3.950 -20.285 57 HB2 HIS 8 1HB HIS 8 7.306 -5.877 -21.494 58 HB3 HIS 8 2HB HIS 8 5.631 -6.301 -21.166 59 HD1 HIS 8 HD1 HIS 8 7.632 -5.401 -23.898 60 HD2 HIS 8 HD2 HIS 8 3.865 -4.200 -22.612 61 HE1 HIS 8 HE1 HIS 8 6.519 -4.390 -25.910 62 HE2 HIS 8 HE2 HIS 8 4.270 -3.620 -25.101 63 H SER 9 H SER 9 6.526 -3.182 -18.140 64 HA SER 9 HA SER 9 7.967 -5.086 -16.602 65 HB2 SER 9 1HB SER 9 6.562 -2.524 -15.728 66 HB3 SER 9 2HB SER 9 7.789 -3.397 -14.798 67 HG SER 9 HG SER 9 8.345 -1.508 -16.310 68 H HIS 10 H HIS 10 4.699 -5.178 -17.295 69 HA HIS 10 HA HIS 10 2.867 -6.233 -16.485 70 HB2 HIS 10 1HB HIS 10 4.916 -7.620 -14.701 71 HB3 HIS 10 2HB HIS 10 3.214 -8.072 -14.741 72 HD1 HIS 10 HD1 HIS 10 6.173 -7.830 -17.115 73 HD2 HIS 10 HD2 HIS 10 2.615 -9.913 -16.659 74 HE1 HIS 10 HE1 HIS 10 6.163 -9.543 -18.952 75 HE2 HIS 10 HE2 HIS 10 3.922 -10.673 -18.750 76 H MET 11 H MET 11 3.553 -3.705 -15.590 77 HA MET 11 HA MET 11 3.063 -3.395 -12.750 78 HB2 MET 11 1HB MET 11 3.230 -0.930 -13.304 79 HB3 MET 11 2HB MET 11 4.638 -1.876 -13.754 80 HG2 MET 11 1HG MET 11 3.886 -1.884 -16.100 81 HG3 MET 11 2HG MET 11 2.484 -0.907 -15.653 82 HE1 MET 11 3HE MET 11 2.593 1.629 -14.974 83 HE2 MET 11 1HE MET 11 4.086 2.520 -14.682 84 HE3 MET 11 2HE MET 11 3.603 1.228 -13.586 85 H SER 12 H SER 12 1.006 -4.607 -12.945 86 HA SER 12 HA SER 12 -1.294 -3.422 -14.195 87 HB2 SER 12 1HB SER 12 -1.113 -5.690 -12.166 88 HB3 SER 12 2HB SER 12 -2.540 -5.274 -13.124 89 HG SER 12 HG SER 12 -0.738 -6.949 -13.808 90 H TRP 13 H TRP 13 -0.530 -4.055 -10.659 91 HA TRP 13 HA TRP 13 -2.320 -1.869 -9.908 92 HB2 TRP 13 1HB TRP 13 -1.767 -2.704 -7.535 93 HB3 TRP 13 2HB TRP 13 -2.696 -3.788 -8.556 94 HD1 TRP 13 HD1 TRP 13 -1.755 -6.173 -8.937 95 HE1 TRP 13 HE1 TRP 13 0.321 -7.458 -8.173 96 HE3 TRP 13 HE3 TRP 13 0.986 -2.290 -7.016 97 HZ2 TRP 13 HZ2 TRP 13 2.793 -6.943 -6.989 98 HZ3 TRP 13 HZ3 TRP 13 3.218 -2.794 -6.104 99 HH2 TRP 13 HH2 TRP 13 4.099 -5.068 -6.087 100 H TYR 14 H TYR 14 0.652 -1.850 -11.055 101 HA TYR 14 HA TYR 14 1.772 0.004 -9.044 102 HB2 TYR 14 1HB TYR 14 3.276 -1.928 -9.217 103 HB3 TYR 14 2HB TYR 14 3.311 -1.794 -10.976 104 HD1 TYR 14 HD1 TYR 14 4.103 0.239 -7.885 105 HD2 TYR 14 HD2 TYR 14 5.094 -0.537 -11.977 106 HE1 TYR 14 HE1 TYR 14 5.979 1.821 -7.738 107 HE2 TYR 14 HE2 TYR 14 6.973 1.038 -11.826 108 HH TYR 14 HH TYR 14 8.121 2.282 -8.890 109 H HIS 15 H HIS 15 1.845 2.059 -9.752 110 HA HIS 15 HA HIS 15 1.990 2.574 -12.664 111 HB2 HIS 15 1HB HIS 15 0.544 4.216 -10.540 112 HB3 HIS 15 2HB HIS 15 0.676 4.646 -12.244 113 HD1 HIS 15 HD1 HIS 15 -0.876 3.434 -13.892 114 HD2 HIS 15 HD2 HIS 15 -1.256 2.089 -9.985 115 HE1 HIS 15 HE1 HIS 15 -2.887 1.941 -13.885 116 HE2 HIS 15 HE2 HIS 15 -3.207 1.300 -11.484 117 H ARG 16 H ARG 16 3.389 4.114 -13.345 118 HA ARG 16 HA ARG 16 5.702 4.740 -11.860 119 HB2 ARG 16 1HB ARG 16 4.542 5.830 -14.450 120 HB3 ARG 16 2HB ARG 16 6.069 6.416 -13.808 121 HG2 ARG 16 1HG ARG 16 7.129 4.296 -14.094 122 HG3 ARG 16 2HG ARG 16 5.594 3.490 -14.426 123 HD2 ARG 16 1HD ARG 16 7.103 4.008 -16.444 124 HD3 ARG 16 2HD ARG 16 5.405 4.474 -16.578 125 HE ARG 16 HE ARG 16 7.631 6.351 -15.968 126 HH11 ARG 16 1HH1 ARG 16 4.508 5.735 -17.478 127 HH12 ARG 16 2HH1 ARG 16 4.338 7.358 -18.071 128 HH21 ARG 16 1HH2 ARG 16 7.367 8.487 -16.739 129 HH22 ARG 16 2HH2 ARG 16 5.952 8.914 -17.647 130 H ASP 17 H ASP 17 3.157 6.938 -13.064 131 HA ASP 17 HA ASP 17 4.018 9.028 -11.214 132 HB2 ASP 17 1HB ASP 17 2.280 10.424 -12.480 133 HB3 ASP 17 2HB ASP 17 3.667 9.885 -13.409 134 H LEU 18 H LEU 18 0.552 8.924 -11.908 135 HA LEU 18 HA LEU 18 -1.276 8.552 -10.802 136 HB2 LEU 18 1HB LEU 18 -0.492 6.224 -10.637 137 HB3 LEU 18 2HB LEU 18 0.367 6.615 -9.157 138 HG LEU 18 HG LEU 18 -1.785 7.022 -7.997 139 HD11 LEU 18 1HD1 LEU 18 -3.147 6.224 -10.592 140 HD12 LEU 18 2HD1 LEU 18 -3.152 7.834 -9.864 141 HD13 LEU 18 3HD1 LEU 18 -3.944 6.493 -9.040 142 HD21 LEU 18 3HD2 LEU 18 -0.824 4.760 -7.943 143 HD22 LEU 18 1HD2 LEU 18 -1.730 4.324 -9.394 144 HD23 LEU 18 2HD2 LEU 18 -2.584 4.707 -7.896 145 H SER 19 H SER 19 -1.924 10.369 -9.738 146 HA SER 19 HA SER 19 -0.631 11.431 -7.436 147 HB2 SER 19 1HB SER 19 -2.063 12.805 -8.939 148 HB3 SER 19 2HB SER 19 -3.469 11.847 -8.497 149 HG SER 19 HG SER 19 -2.868 14.005 -7.383 150 H ARG 20 H ARG 20 -1.232 11.239 -5.272 151 HA ARG 20 HA ARG 20 -2.333 8.842 -4.258 152 HB2 ARG 20 1HB ARG 20 -0.721 10.187 -2.990 153 HB3 ARG 20 2HB ARG 20 -1.832 11.550 -2.959 154 HG2 ARG 20 1HG ARG 20 -3.393 10.221 -1.531 155 HG3 ARG 20 2HG ARG 20 -2.213 8.905 -1.506 156 HD2 ARG 20 1HD ARG 20 -0.593 10.338 -0.379 157 HD3 ARG 20 2HD ARG 20 -1.678 11.727 -0.515 158 HE ARG 20 HE ARG 20 -2.707 9.432 0.957 159 HH11 ARG 20 1HH1 ARG 20 -1.109 12.562 1.197 160 HH12 ARG 20 2HH1 ARG 20 -1.525 12.768 2.868 161 HH21 ARG 20 1HH2 ARG 20 -3.214 9.711 3.113 162 HH22 ARG 20 2HH2 ARG 20 -2.738 11.153 3.950 163 H ALA 21 H ALA 21 -3.660 12.073 -4.741 164 HA ALA 21 HA ALA 21 -6.247 11.789 -3.706 165 HB1 ALA 21 3HB ALA 21 -5.293 13.941 -4.437 166 HB2 ALA 21 1HB ALA 21 -6.852 13.655 -5.210 167 HB3 ALA 21 2HB ALA 21 -5.355 13.411 -6.118 168 H ALA 22 H ALA 22 -4.976 11.062 -6.928 169 HA ALA 22 HA ALA 22 -7.436 10.142 -8.080 170 HB1 ALA 22 3HB ALA 22 -6.021 9.425 -9.969 171 HB2 ALA 22 1HB ALA 22 -4.571 9.723 -9.002 172 HB3 ALA 22 2HB ALA 22 -5.621 11.066 -9.457 173 H ALA 23 H ALA 23 -4.756 8.604 -6.396 174 HA ALA 23 HA ALA 23 -5.214 5.900 -7.148 175 HB1 ALA 23 3HB ALA 23 -3.705 5.356 -5.267 176 HB2 ALA 23 1HB ALA 23 -3.821 7.018 -4.682 177 HB3 ALA 23 2HB ALA 23 -3.059 6.676 -6.234 178 H GLU 24 H GLU 24 -5.911 7.679 -4.168 179 HA GLU 24 HA GLU 24 -7.512 5.927 -2.764 180 HB2 GLU 24 1HB GLU 24 -6.671 7.964 -1.765 181 HB3 GLU 24 2HB GLU 24 -7.506 8.969 -2.944 182 HG2 GLU 24 1HG GLU 24 -9.672 8.357 -1.962 183 HG3 GLU 24 2HG GLU 24 -8.871 7.275 -0.826 184 H GLU 25 H GLU 25 -8.422 8.247 -5.272 185 HA GLU 25 HA GLU 25 -11.242 7.933 -5.091 186 HB2 GLU 25 1HB GLU 25 -10.177 9.905 -6.139 187 HB3 GLU 25 2HB GLU 25 -9.547 8.891 -7.435 188 HG2 GLU 25 1HG GLU 25 -11.788 8.454 -8.265 189 HG3 GLU 25 2HG GLU 25 -12.502 9.261 -6.868 190 H LEU 26 H LEU 26 -8.857 6.532 -7.370 191 HA LEU 26 HA LEU 26 -10.618 4.980 -8.906 192 HB2 LEU 26 1HB LEU 26 -7.640 4.722 -8.402 193 HB3 LEU 26 2HB LEU 26 -8.491 3.660 -9.520 194 HG LEU 26 HG LEU 26 -8.266 6.691 -9.792 195 HD11 LEU 26 1HD1 LEU 26 -6.129 5.572 -10.204 196 HD12 LEU 26 2HD1 LEU 26 -6.793 6.244 -11.689 197 HD13 LEU 26 3HD1 LEU 26 -6.893 4.507 -11.389 198 HD21 LEU 26 3HD2 LEU 26 -9.530 4.663 -11.675 199 HD22 LEU 26 1HD2 LEU 26 -9.304 6.384 -12.008 200 HD23 LEU 26 2HD2 LEU 26 -10.385 5.874 -10.717 201 H LEU 27 H LEU 27 -8.955 4.206 -5.882 202 HA LEU 27 HA LEU 27 -9.687 1.427 -5.817 203 HB2 LEU 27 1HB LEU 27 -8.882 3.317 -3.566 204 HB3 LEU 27 2HB LEU 27 -9.169 1.597 -3.341 205 HG LEU 27 HG LEU 27 -6.979 2.801 -5.060 206 HD11 LEU 27 1HD1 LEU 27 -6.780 1.433 -2.364 207 HD12 LEU 27 2HD1 LEU 27 -6.538 3.154 -2.691 208 HD13 LEU 27 3HD1 LEU 27 -5.418 1.966 -3.358 209 HD21 LEU 27 3HD2 LEU 27 -7.715 0.673 -5.998 210 HD22 LEU 27 1HD2 LEU 27 -7.512 -0.113 -4.428 211 HD23 LEU 27 2HD2 LEU 27 -6.108 0.516 -5.296 212 H ALA 28 H ALA 28 -10.915 4.314 -4.102 213 HA ALA 28 HA ALA 28 -12.960 3.050 -2.654 214 HB1 ALA 28 3HB ALA 28 -11.985 5.212 -2.025 215 HB2 ALA 28 1HB ALA 28 -13.745 5.320 -2.127 216 HB3 ALA 28 2HB ALA 28 -12.739 5.975 -3.426 217 H ARG 29 H ARG 29 -12.990 4.367 -5.900 218 HA ARG 29 HA ARG 29 -15.853 4.308 -6.257 219 HB2 ARG 29 1HB ARG 29 -14.511 5.877 -7.571 220 HB3 ARG 29 2HB ARG 29 -13.564 4.559 -8.260 221 HG2 ARG 29 1HG ARG 29 -15.652 3.705 -9.362 222 HG3 ARG 29 2HG ARG 29 -16.519 5.107 -8.730 223 HD2 ARG 29 1HD ARG 29 -15.146 6.609 -10.053 224 HD3 ARG 29 2HD ARG 29 -14.126 5.269 -10.597 225 HE ARG 29 HE ARG 29 -16.484 4.429 -11.479 226 HH11 ARG 29 1HH1 ARG 29 -15.137 7.660 -11.705 227 HH12 ARG 29 2HH1 ARG 29 -15.947 8.023 -13.195 228 HH21 ARG 29 1HH2 ARG 29 -17.528 4.897 -13.423 229 HH22 ARG 29 2HH2 ARG 29 -17.320 6.450 -14.166 230 H ALA 30 H ALA 30 -13.125 2.175 -7.099 231 HA ALA 30 HA ALA 30 -14.706 0.475 -8.841 232 HB1 ALA 30 3HB ALA 30 -12.301 0.957 -9.253 233 HB2 ALA 30 1HB ALA 30 -12.643 -0.773 -9.165 234 HB3 ALA 30 2HB ALA 30 -11.887 0.047 -7.789 235 H GLY 31 H GLY 31 -12.951 -0.027 -5.781 236 HA2 GLY 31 1HA GLY 31 -14.188 -2.695 -5.521 237 HA3 GLY 31 2HA GLY 31 -12.537 -2.305 -5.074 238 H ARG 32 H ARG 32 -13.375 -3.419 -3.227 239 HA ARG 32 HA ARG 32 -14.480 -1.590 -1.149 240 HB2 ARG 32 1HB ARG 32 -15.078 -4.518 -1.657 241 HB3 ARG 32 2HB ARG 32 -15.060 -3.965 0.010 242 HG2 ARG 32 1HG ARG 32 -17.328 -3.885 -0.711 243 HG3 ARG 32 2HG ARG 32 -16.759 -2.219 -0.610 244 HD2 ARG 32 1HD ARG 32 -16.323 -2.395 -3.138 245 HD3 ARG 32 2HD ARG 32 -17.277 -3.882 -3.090 246 HE ARG 32 HE ARG 32 -18.718 -1.804 -1.844 247 HH11 ARG 32 1HH1 ARG 32 -17.743 -2.834 -5.049 248 HH12 ARG 32 2HH1 ARG 32 -18.977 -1.918 -5.853 249 HH21 ARG 32 1HH2 ARG 32 -20.305 -0.587 -2.884 250 HH22 ARG 32 2HH2 ARG 32 -20.447 -0.649 -4.614 251 H ASP 33 H ASP 33 -13.839 -3.473 1.015 252 HA ASP 33 HA ASP 33 -11.373 -2.449 1.781 253 HB2 ASP 33 1HB ASP 33 -11.514 -4.055 3.681 254 HB3 ASP 33 2HB ASP 33 -13.014 -3.175 3.412 255 H GLY 34 H GLY 34 -9.333 -3.062 1.570 256 HA2 GLY 34 1HA GLY 34 -7.503 -4.523 1.373 257 HA3 GLY 34 2HA GLY 34 -8.557 -5.761 0.702 258 H SER 35 H SER 35 -9.343 -2.889 -0.851 259 HA SER 35 HA SER 35 -8.022 -3.662 -3.298 260 HB2 SER 35 1HB SER 35 -9.524 -1.075 -2.677 261 HB3 SER 35 2HB SER 35 -8.985 -1.597 -4.268 262 HG SER 35 HG SER 35 -10.657 -3.265 -2.727 263 H PHE 36 H PHE 36 -5.937 -3.201 -3.768 264 HA PHE 36 HA PHE 36 -4.645 -0.889 -2.476 265 HB2 PHE 36 1HB PHE 36 -2.739 -2.187 -1.808 266 HB3 PHE 36 2HB PHE 36 -4.164 -3.029 -1.221 267 HD1 PHE 36 HD1 PHE 36 -5.012 -5.075 -2.568 268 HD2 PHE 36 HD2 PHE 36 -1.149 -3.328 -3.193 269 HE1 PHE 36 HE1 PHE 36 -4.245 -7.133 -3.665 270 HE2 PHE 36 HE2 PHE 36 -0.399 -5.396 -4.286 271 HZ PHE 36 HZ PHE 36 -1.944 -7.294 -4.523 272 H LEU 37 H LEU 37 -2.847 -0.069 -3.478 273 HA LEU 37 HA LEU 37 -1.761 -1.280 -5.891 274 HB2 LEU 37 1HB LEU 37 -1.899 0.936 -7.141 275 HB3 LEU 37 2HB LEU 37 -3.411 0.077 -6.937 276 HG LEU 37 HG LEU 37 -3.908 1.679 -4.981 277 HD11 LEU 37 1HD1 LEU 37 -1.671 3.308 -6.213 278 HD12 LEU 37 2HD1 LEU 37 -1.671 2.574 -4.606 279 HD13 LEU 37 3HD1 LEU 37 -2.813 3.857 -4.983 280 HD21 LEU 37 3HD2 LEU 37 -3.770 2.864 -7.773 281 HD22 LEU 37 1HD2 LEU 37 -4.799 3.420 -6.447 282 HD23 LEU 37 2HD2 LEU 37 -5.054 1.823 -7.149 283 H VAL 38 H VAL 38 0.280 -0.226 -6.529 284 HA VAL 38 HA VAL 38 1.580 1.416 -4.451 285 HB VAL 38 HB VAL 38 2.869 -0.871 -6.024 286 HG11 VAL 38 1HG1 VAL 38 4.212 1.075 -4.095 287 HG12 VAL 38 2HG1 VAL 38 4.498 0.982 -5.834 288 HG13 VAL 38 3HG1 VAL 38 4.973 -0.356 -4.789 289 HG21 VAL 38 3HG2 VAL 38 2.434 -0.534 -3.026 290 HG22 VAL 38 1HG2 VAL 38 3.271 -1.885 -3.794 291 HG23 VAL 38 2HG2 VAL 38 1.547 -1.639 -4.079 292 H ARG 39 H ARG 39 3.054 2.920 -5.273 293 HA ARG 39 HA ARG 39 3.219 3.537 -8.110 294 HB2 ARG 39 1HB ARG 39 2.273 5.911 -7.607 295 HB3 ARG 39 2HB ARG 39 1.100 4.598 -7.738 296 HG2 ARG 39 1HG ARG 39 0.816 4.472 -5.355 297 HG3 ARG 39 2HG ARG 39 2.215 5.504 -5.059 298 HD2 ARG 39 1HD ARG 39 -0.375 6.394 -6.369 299 HD3 ARG 39 2HD ARG 39 0.092 6.695 -4.685 300 HE ARG 39 HE ARG 39 1.449 7.779 -7.080 301 HH11 ARG 39 1HH1 ARG 39 0.853 7.955 -3.630 302 HH12 ARG 39 2HH1 ARG 39 1.659 9.474 -3.448 303 HH21 ARG 39 1HH2 ARG 39 2.459 9.758 -6.866 304 HH22 ARG 39 2HH2 ARG 39 2.554 10.529 -5.310 305 H ASP 40 H ASP 40 4.601 5.619 -8.360 306 HA ASP 40 HA ASP 40 6.621 5.729 -6.209 307 HB2 ASP 40 1HB ASP 40 7.369 5.469 -8.650 308 HB3 ASP 40 2HB ASP 40 6.839 7.129 -8.902 309 H SER 41 H SER 41 6.563 7.336 -4.767 310 HA SER 41 HA SER 41 4.281 8.995 -4.588 311 HB2 SER 41 1HB SER 41 6.791 8.953 -2.861 312 HB3 SER 41 2HB SER 41 5.233 9.651 -2.403 313 HG SER 41 HG SER 41 5.590 6.921 -3.105 314 H GLU 42 H GLU 42 4.297 10.494 -6.203 315 HA GLU 42 HA GLU 42 6.026 12.354 -7.098 316 HB2 GLU 42 1HB GLU 42 3.118 12.904 -6.412 317 HB3 GLU 42 2HB GLU 42 4.090 13.832 -7.553 318 HG2 GLU 42 1HG GLU 42 3.271 10.918 -7.845 319 HG3 GLU 42 2HG GLU 42 2.564 12.288 -8.702 320 H SER 43 H SER 43 4.558 12.507 -3.894 321 HA SER 43 HA SER 43 5.304 15.251 -3.374 322 HB2 SER 43 1HB SER 43 4.463 14.718 -1.066 323 HB3 SER 43 2HB SER 43 3.309 14.330 -2.344 324 HG SER 43 HG SER 43 3.660 12.690 -0.672 325 H VAL 44 H VAL 44 6.936 12.241 -3.191 326 HA VAL 44 HA VAL 44 8.975 13.290 -1.305 327 HB VAL 44 HB VAL 44 8.454 10.389 -2.118 328 HG11 VAL 44 1HG1 VAL 44 10.048 9.789 -0.315 329 HG12 VAL 44 2HG1 VAL 44 10.379 11.497 -0.025 330 HG13 VAL 44 3HG1 VAL 44 10.826 10.759 -1.568 331 HG21 VAL 44 3HG2 VAL 44 7.775 11.772 0.515 332 HG22 VAL 44 1HG2 VAL 44 7.589 10.043 0.184 333 HG23 VAL 44 2HG2 VAL 44 6.617 11.224 -0.699 334 H ALA 45 H ALA 45 8.817 11.017 -4.017 335 HA ALA 45 HA ALA 45 9.712 10.986 -6.082 336 HB1 ALA 45 3HB ALA 45 11.865 12.930 -5.203 337 HB2 ALA 45 1HB ALA 45 10.425 13.343 -6.136 338 HB3 ALA 45 2HB ALA 45 11.645 12.266 -6.828 339 H GLY 46 H GLY 46 10.687 9.246 -6.581 340 HA2 GLY 46 1HA GLY 46 11.817 7.202 -6.411 341 HA3 GLY 46 2HA GLY 46 13.080 8.085 -5.556 342 H ALA 47 H ALA 47 9.803 6.910 -5.053 343 HA ALA 47 HA ALA 47 10.320 5.682 -2.501 344 HB1 ALA 47 3HB ALA 47 10.091 8.019 -1.711 345 HB2 ALA 47 1HB ALA 47 8.733 7.032 -1.159 346 HB3 ALA 47 2HB ALA 47 8.522 8.145 -2.516 347 H PHE 48 H PHE 48 8.492 4.261 -1.940 348 HA PHE 48 HA PHE 48 6.483 4.048 -4.094 349 HB2 PHE 48 1HB PHE 48 7.598 1.856 -2.287 350 HB3 PHE 48 2HB PHE 48 6.384 1.628 -3.550 351 HD1 PHE 48 HD1 PHE 48 7.018 2.051 -5.984 352 HD2 PHE 48 HD2 PHE 48 9.949 1.919 -2.868 353 HE1 PHE 48 HE1 PHE 48 8.797 1.724 -7.654 354 HE2 PHE 48 HE2 PHE 48 11.710 1.592 -4.546 355 HZ PHE 48 HZ PHE 48 11.139 1.489 -6.936 356 H ALA 49 H ALA 49 4.416 4.254 -3.592 357 HA ALA 49 HA ALA 49 3.610 4.583 -0.752 358 HB1 ALA 49 3HB ALA 49 3.326 6.625 -2.088 359 HB2 ALA 49 1HB ALA 49 1.760 5.989 -1.584 360 HB3 ALA 49 2HB ALA 49 2.317 5.757 -3.244 361 H LEU 50 H LEU 50 2.141 3.185 0.051 362 HA LEU 50 HA LEU 50 0.863 1.206 -1.735 363 HB2 LEU 50 1HB LEU 50 2.544 0.129 -0.307 364 HB3 LEU 50 2HB LEU 50 1.884 0.900 1.125 365 HG LEU 50 HG LEU 50 -0.194 -0.449 0.912 366 HD11 LEU 50 1HD1 LEU 50 1.147 -1.826 -1.437 367 HD12 LEU 50 2HD1 LEU 50 -0.273 -0.778 -1.510 368 HD13 LEU 50 3HD1 LEU 50 -0.366 -2.321 -0.667 369 HD21 LEU 50 3HD2 LEU 50 0.739 -2.620 1.573 370 HD22 LEU 50 1HD2 LEU 50 1.622 -1.290 2.318 371 HD23 LEU 50 2HD2 LEU 50 2.319 -2.149 0.943 372 H CYS 51 H CYS 51 -1.175 1.869 -1.964 373 HA CYS 51 HA CYS 51 -2.596 3.284 0.205 374 HB2 CYS 51 1HB CYS 51 -3.333 3.061 -2.751 375 HB3 CYS 51 2HB CYS 51 -4.021 4.169 -1.561 376 HG CYS 51 HG CYS 51 -0.706 4.312 -2.286 377 H VAL 52 H VAL 52 -4.120 2.149 1.298 378 HA VAL 52 HA VAL 52 -5.192 -0.395 0.198 379 HB VAL 52 HB VAL 52 -4.333 0.177 3.086 380 HG11 VAL 52 1HG1 VAL 52 -5.595 -2.357 1.954 381 HG12 VAL 52 2HG1 VAL 52 -6.349 -1.240 3.096 382 HG13 VAL 52 3HG1 VAL 52 -4.939 -2.183 3.584 383 HG21 VAL 52 3HG2 VAL 52 -3.140 -1.769 1.065 384 HG22 VAL 52 1HG2 VAL 52 -2.628 -1.582 2.747 385 HG23 VAL 52 2HG2 VAL 52 -2.406 -0.254 1.603 386 H LEU 53 H LEU 53 -7.341 -0.287 -0.008 387 HA LEU 53 HA LEU 53 -8.851 1.953 1.045 388 HB2 LEU 53 1HB LEU 53 -9.150 1.426 -1.282 389 HB3 LEU 53 2HB LEU 53 -9.402 -0.278 -0.936 390 HG LEU 53 HG LEU 53 -11.579 0.319 0.185 391 HD11 LEU 53 1HD1 LEU 53 -11.121 2.637 0.773 392 HD12 LEU 53 2HD1 LEU 53 -12.589 2.507 -0.193 393 HD13 LEU 53 3HD1 LEU 53 -11.095 3.084 -0.940 394 HD21 LEU 53 3HD2 LEU 53 -11.558 -0.501 -2.104 395 HD22 LEU 53 1HD2 LEU 53 -11.346 1.140 -2.711 396 HD23 LEU 53 2HD2 LEU 53 -12.834 0.690 -1.880 397 H TYR 54 H TYR 54 -10.197 1.820 2.780 398 HA TYR 54 HA TYR 54 -11.730 -0.670 3.206 399 HB2 TYR 54 1HB TYR 54 -9.914 -0.570 4.907 400 HB3 TYR 54 2HB TYR 54 -10.446 1.032 5.397 401 HD1 TYR 54 HD1 TYR 54 -11.751 -2.470 5.077 402 HD2 TYR 54 HD2 TYR 54 -11.899 1.179 7.269 403 HE1 TYR 54 HE1 TYR 54 -13.242 -3.514 6.717 404 HE2 TYR 54 HE2 TYR 54 -13.395 0.129 8.920 405 HH TYR 54 HH TYR 54 -13.934 -3.253 9.001 406 H GLN 55 H GLN 55 -13.640 0.154 2.321 407 HA GLN 55 HA GLN 55 -15.641 1.159 2.265 408 HB2 GLN 55 1HB GLN 55 -15.013 1.821 5.165 409 HB3 GLN 55 2HB GLN 55 -16.603 1.978 4.428 410 HG2 GLN 55 1HG GLN 55 -16.673 -0.457 4.040 411 HG3 GLN 55 2HG GLN 55 -15.064 -0.623 4.737 412 HE21 GLN 55 2HE2 GLN 55 -15.841 -2.062 6.301 413 HE22 GLN 55 1HE2 GLN 55 -16.787 -1.539 7.649 414 H LYS 56 H LYS 56 -14.037 2.573 0.933 415 HA LYS 56 HA LYS 56 -13.618 4.535 -0.101 416 HB2 LYS 56 1HB LYS 56 -15.975 5.099 0.411 417 HB3 LYS 56 2HB LYS 56 -15.489 5.818 1.933 418 HG2 LYS 56 1HG LYS 56 -14.343 6.919 -0.629 419 HG3 LYS 56 2HG LYS 56 -16.008 7.304 -0.199 420 HD2 LYS 56 1HD LYS 56 -15.251 8.276 1.946 421 HD3 LYS 56 2HD LYS 56 -13.579 7.862 1.559 422 HE2 LYS 56 1HE LYS 56 -13.660 9.389 -0.382 423 HE3 LYS 56 2HE LYS 56 -15.332 9.797 0.011 424 HZ1 LYS 56 3HZ LYS 56 -14.580 10.714 2.109 425 HZ2 LYS 56 1HZ LYS 56 -13.778 11.453 0.819 426 HZ3 LYS 56 2HZ LYS 56 -12.980 10.297 1.753 427 H HIS 57 H HIS 57 -12.975 4.280 3.276 428 HA HIS 57 HA HIS 57 -11.088 6.503 3.386 429 HB2 HIS 57 1HB HIS 57 -11.660 4.334 5.477 430 HB3 HIS 57 2HB HIS 57 -10.705 5.789 5.742 431 HD1 HIS 57 HD1 HIS 57 -14.252 4.669 5.169 432 HD2 HIS 57 HD2 HIS 57 -12.182 8.036 6.430 433 HE1 HIS 57 HE1 HIS 57 -16.009 6.256 5.995 434 HE2 HIS 57 HE2 HIS 57 -14.744 8.359 6.576 435 H VAL 58 H VAL 58 -9.362 6.151 2.145 436 HA VAL 58 HA VAL 58 -7.974 3.568 2.039 437 HB VAL 58 HB VAL 58 -7.500 6.132 0.445 438 HG11 VAL 58 1HG1 VAL 58 -6.094 4.728 -1.049 439 HG12 VAL 58 2HG1 VAL 58 -6.304 3.357 0.039 440 HG13 VAL 58 3HG1 VAL 58 -5.432 4.790 0.588 441 HG21 VAL 58 3HG2 VAL 58 -9.684 5.110 -0.076 442 HG22 VAL 58 1HG2 VAL 58 -8.898 3.560 -0.388 443 HG23 VAL 58 2HG2 VAL 58 -8.574 4.942 -1.439 444 H HIS 59 H HIS 59 -6.300 3.220 3.360 445 HA HIS 59 HA HIS 59 -4.929 5.410 4.736 446 HB2 HIS 59 1HB HIS 59 -4.907 2.380 5.183 447 HB3 HIS 59 2HB HIS 59 -4.021 3.548 6.166 448 HD1 HIS 59 HD1 HIS 59 -7.651 3.146 5.049 449 HD2 HIS 59 HD2 HIS 59 -5.426 4.133 8.421 450 HE1 HIS 59 HE1 HIS 59 -9.330 3.604 6.849 451 HE2 HIS 59 HE2 HIS 59 -7.967 4.169 8.892 452 H THR 60 H THR 60 -2.878 5.969 4.105 453 HA THR 60 HA THR 60 -1.696 4.474 1.835 454 HB THR 60 HB THR 60 -0.868 6.742 1.021 455 HG1 THR 60 HG1 THR 60 -1.504 7.644 3.278 456 HG21 THR 60 3HG2 THR 60 -3.009 7.470 0.023 457 HG22 THR 60 1HG2 THR 60 -3.897 6.465 1.171 458 HG23 THR 60 2HG2 THR 60 -2.854 5.715 -0.038 459 H TYR 61 H TYR 61 0.531 4.285 1.852 460 HA TYR 61 HA TYR 61 2.052 5.256 4.188 461 HB2 TYR 61 1HB TYR 61 2.134 2.330 3.269 462 HB3 TYR 61 2HB TYR 61 2.999 3.032 4.629 463 HD1 TYR 61 HD2 TYR 61 1.636 3.867 6.647 464 HD2 TYR 61 HD1 TYR 61 -0.095 1.462 3.557 465 HE1 TYR 61 HE2 TYR 61 -0.252 3.331 8.122 466 HE2 TYR 61 HE1 TYR 61 -1.991 0.943 5.033 467 HH TYR 61 HH TYR 61 -2.422 0.872 7.530 468 H ARG 62 H ARG 62 3.298 6.638 2.893 469 HA ARG 62 HA ARG 62 4.495 5.633 0.443 470 HB2 ARG 62 1HB ARG 62 5.382 7.818 0.080 471 HB3 ARG 62 2HB ARG 62 3.756 8.033 0.689 472 HG2 ARG 62 1HG ARG 62 6.322 8.498 2.254 473 HG3 ARG 62 2HG ARG 62 5.336 9.748 1.503 474 HD2 ARG 62 1HD ARG 62 4.761 9.869 3.774 475 HD3 ARG 62 2HD ARG 62 3.446 8.920 3.088 476 HE ARG 62 HE ARG 62 5.620 7.346 4.168 477 HH11 ARG 62 1HH1 ARG 62 2.601 8.892 5.012 478 HH12 ARG 62 2HH1 ARG 62 2.326 7.879 6.388 479 HH21 ARG 62 1HH2 ARG 62 5.254 6.010 5.940 480 HH22 ARG 62 2HH2 ARG 62 3.841 6.238 6.924 481 H ILE 63 H ILE 63 5.671 3.898 1.087 482 HA ILE 63 HA ILE 63 7.655 3.911 3.116 483 HB ILE 63 HB ILE 63 7.154 1.969 0.814 484 HG12 ILE 63 1HG1 ILE 63 5.973 1.777 3.623 485 HG13 ILE 63 2HG1 ILE 63 5.118 2.559 2.302 486 HG21 ILE 63 1HG2 ILE 63 9.304 1.556 1.929 487 HG22 ILE 63 2HG2 ILE 63 8.163 0.256 2.273 488 HG23 ILE 63 3HG2 ILE 63 8.492 1.481 3.500 489 HD11 ILE 63 3HD1 ILE 63 5.099 0.447 1.072 490 HD12 ILE 63 1HD1 ILE 63 4.327 0.318 2.653 491 HD13 ILE 63 2HD1 ILE 63 5.949 -0.330 2.414 492 H LEU 64 H LEU 64 9.929 4.067 2.892 493 HA LEU 64 HA LEU 64 10.941 5.066 0.302 494 HB2 LEU 64 1HB LEU 64 11.526 6.169 3.089 495 HB3 LEU 64 2HB LEU 64 12.570 6.473 1.714 496 HG LEU 64 HG LEU 64 10.541 7.590 0.593 497 HD11 LEU 64 1HD1 LEU 64 8.788 8.474 2.045 498 HD12 LEU 64 2HD1 LEU 64 9.438 7.553 3.405 499 HD13 LEU 64 3HD1 LEU 64 8.765 6.710 2.007 500 HD21 LEU 64 3HD2 LEU 64 11.712 8.876 3.080 501 HD22 LEU 64 1HD2 LEU 64 10.920 9.729 1.751 502 HD23 LEU 64 2HD2 LEU 64 12.434 8.872 1.471 503 HA PRO 65 HA PRO 65 14.410 2.129 1.187 504 HB2 PRO 65 1HB PRO 65 15.753 4.045 -0.720 505 HB3 PRO 65 2HB PRO 65 15.754 2.274 -0.726 506 HG2 PRO 65 1HG PRO 65 14.269 3.598 -2.497 507 HG3 PRO 65 2HG PRO 65 13.613 2.148 -1.702 508 HD2 PRO 65 1HD PRO 65 13.047 5.062 -1.095 509 HD3 PRO 65 2HD PRO 65 11.918 3.685 -1.186 510 H ASP 66 H ASP 66 15.642 2.539 3.135 511 HA ASP 66 HA ASP 66 15.900 5.375 3.935 512 HB2 ASP 66 1HB ASP 66 13.785 4.431 4.813 513 HB3 ASP 66 2HB ASP 66 14.636 3.038 5.459 514 H GLY 67 H GLY 67 17.614 2.780 3.164 515 HA2 GLY 67 1HA GLY 67 19.973 3.233 4.543 516 HA3 GLY 67 2HA GLY 67 19.118 1.979 5.452 517 H GLU 68 H GLU 68 21.644 1.658 3.849 518 HA GLU 68 HA GLU 68 22.507 1.131 1.808 519 HB2 GLU 68 1HB GLU 68 21.215 -1.332 2.967 520 HB3 GLU 68 2HB GLU 68 22.354 -1.413 1.627 521 HG2 GLU 68 1HG GLU 68 22.919 -0.345 4.409 522 HG3 GLU 68 2HG GLU 68 23.479 -1.875 3.737 523 H ASP 69 H ASP 69 19.340 -0.586 1.549 524 HA ASP 69 HA ASP 69 18.909 0.058 -1.164 525 HB2 ASP 69 1HB ASP 69 21.003 -1.395 -1.372 526 HB3 ASP 69 2HB ASP 69 20.091 -2.732 -0.679 527 H PHE 70 H PHE 70 17.634 -0.270 1.494 528 HA PHE 70 HA PHE 70 15.590 -2.341 0.985 529 HB2 PHE 70 1HB PHE 70 17.005 -1.716 3.621 530 HB3 PHE 70 2HB PHE 70 15.569 -2.721 3.494 531 HD1 PHE 70 HD1 PHE 70 19.163 -2.507 2.511 532 HD2 PHE 70 HD2 PHE 70 15.738 -5.041 2.936 533 HE1 PHE 70 HE1 PHE 70 20.577 -4.484 2.148 534 HE2 PHE 70 HE2 PHE 70 17.163 -7.010 2.586 535 HZ PHE 70 HZ PHE 70 19.581 -6.738 2.185 536 H LEU 71 H LEU 71 13.561 -1.887 1.905 537 HA LEU 71 HA LEU 71 12.936 0.989 2.134 538 HB2 LEU 71 1HB LEU 71 11.266 -1.432 1.351 539 HB3 LEU 71 2HB LEU 71 10.539 0.114 1.734 540 HG LEU 71 HG LEU 71 11.898 1.126 -0.170 541 HD11 LEU 71 1HD1 LEU 71 12.391 -1.767 -0.944 542 HD12 LEU 71 2HD1 LEU 71 13.615 -0.611 -0.411 543 HD13 LEU 71 3HD1 LEU 71 12.757 -0.343 -1.925 544 HD21 LEU 71 3HD2 LEU 71 9.844 -0.994 -0.881 545 HD22 LEU 71 1HD2 LEU 71 10.354 0.340 -1.919 546 HD23 LEU 71 2HD2 LEU 71 9.512 0.675 -0.410 547 H ALA 72 H ALA 72 11.509 1.715 3.785 548 HA ALA 72 HA ALA 72 11.013 -0.074 6.080 549 HB1 ALA 72 3HB ALA 72 11.825 1.631 7.661 550 HB2 ALA 72 1HB ALA 72 12.310 2.670 6.314 551 HB3 ALA 72 2HB ALA 72 13.116 1.120 6.569 552 H VAL 73 H VAL 73 8.965 0.033 6.589 553 HA VAL 73 HA VAL 73 7.153 2.078 5.566 554 HB VAL 73 HB VAL 73 6.446 -0.308 7.344 555 HG11 VAL 73 1HG1 VAL 73 4.647 1.366 7.115 556 HG12 VAL 73 2HG1 VAL 73 4.202 -0.139 6.304 557 HG13 VAL 73 3HG1 VAL 73 4.739 1.253 5.353 558 HG21 VAL 73 3HG2 VAL 73 7.709 -1.190 5.431 559 HG22 VAL 73 1HG2 VAL 73 6.675 -0.312 4.303 560 HG23 VAL 73 2HG2 VAL 73 6.006 -1.624 5.276 561 H GLN 74 H GLN 74 6.301 3.750 6.845 562 HA GLN 74 HA GLN 74 7.166 3.815 9.685 563 HB2 GLN 74 1HB GLN 74 6.756 6.186 7.806 564 HB3 GLN 74 2HB GLN 74 7.298 6.271 9.482 565 HG2 GLN 74 1HG GLN 74 8.806 4.987 7.175 566 HG3 GLN 74 2HG GLN 74 9.186 6.537 7.925 567 HE21 GLN 74 2HE2 GLN 74 10.714 3.949 7.649 568 HE22 GLN 74 1HE2 GLN 74 11.251 3.582 9.251 569 H THR 75 H THR 75 5.323 2.745 10.236 570 HA THR 75 HA THR 75 2.979 4.503 10.684 571 HB THR 75 HB THR 75 2.267 3.019 8.881 572 HG1 THR 75 HG1 THR 75 0.492 3.133 10.053 573 HG21 THR 75 3HG2 THR 75 2.216 0.554 9.093 574 HG22 THR 75 1HG2 THR 75 3.037 0.660 10.654 575 HG23 THR 75 2HG2 THR 75 3.876 1.150 9.179 576 H SER 76 H SER 76 2.306 4.540 12.742 577 HA SER 76 HA SER 76 1.694 3.987 14.819 578 HB2 SER 76 1HB SER 76 2.146 1.110 13.980 579 HB3 SER 76 2HB SER 76 1.171 1.652 15.342 580 HG SER 76 HG SER 76 0.643 2.565 12.724 581 H GLN 77 H GLN 77 4.859 3.647 13.965 582 HA GLN 77 HA GLN 77 6.850 3.473 14.950 583 HB2 GLN 77 1HB GLN 77 6.020 5.270 16.380 584 HB3 GLN 77 2HB GLN 77 5.268 4.105 17.460 585 HG2 GLN 77 1HG GLN 77 7.541 3.230 18.044 586 HG3 GLN 77 2HG GLN 77 8.257 4.488 17.040 587 HE21 GLN 77 2HE2 GLN 77 8.173 6.642 17.768 588 HE22 GLN 77 1HE2 GLN 77 7.814 7.042 19.407 589 H GLY 78 H GLY 78 4.983 2.034 17.655 590 HA2 GLY 78 1HA GLY 78 6.897 0.138 18.360 591 HA3 GLY 78 2HA GLY 78 5.208 0.092 18.832 592 H VAL 79 H VAL 79 4.252 -0.252 16.049 593 HA VAL 79 HA VAL 79 4.182 -3.029 15.819 594 HB VAL 79 HB VAL 79 2.534 -1.571 14.685 595 HG11 VAL 79 1HG1 VAL 79 4.701 -1.010 12.626 596 HG12 VAL 79 2HG1 VAL 79 4.030 0.154 13.770 597 HG13 VAL 79 3HG1 VAL 79 3.004 -0.524 12.507 598 HG21 VAL 79 3HG2 VAL 79 2.235 -2.904 12.619 599 HG22 VAL 79 1HG2 VAL 79 2.685 -3.924 13.989 600 HG23 VAL 79 2HG2 VAL 79 3.888 -3.508 12.769 601 HA PRO 80 HA PRO 80 8.388 -4.058 14.413 602 HB2 PRO 80 1HB PRO 80 6.912 -6.497 13.395 603 HB3 PRO 80 2HB PRO 80 8.439 -6.400 14.293 604 HG2 PRO 80 1HG PRO 80 6.211 -7.087 15.569 605 HG3 PRO 80 2HG PRO 80 7.348 -5.959 16.342 606 HD2 PRO 80 1HD PRO 80 4.726 -5.371 14.970 607 HD3 PRO 80 2HD PRO 80 5.415 -4.643 16.442 608 H VAL 81 H VAL 81 9.127 -2.958 12.719 609 HA VAL 81 HA VAL 81 7.867 -3.104 10.053 610 HB VAL 81 HB VAL 81 9.872 -1.109 11.218 611 HG11 VAL 81 1HG1 VAL 81 10.375 -1.406 8.817 612 HG12 VAL 81 2HG1 VAL 81 9.626 0.172 9.084 613 HG13 VAL 81 3HG1 VAL 81 8.675 -1.153 8.405 614 HG21 VAL 81 3HG2 VAL 81 6.956 -0.761 10.417 615 HG22 VAL 81 1HG2 VAL 81 8.026 0.531 10.979 616 HG23 VAL 81 2HG2 VAL 81 7.587 -0.790 12.066 617 H ARG 82 H ARG 82 9.016 -4.026 8.342 618 HA ARG 82 HA ARG 82 11.642 -5.220 8.982 619 HB2 ARG 82 1HB ARG 82 9.611 -6.073 6.862 620 HB3 ARG 82 2HB ARG 82 11.183 -6.815 7.123 621 HG2 ARG 82 1HG ARG 82 9.629 -8.284 8.115 622 HG3 ARG 82 2HG ARG 82 10.366 -7.430 9.472 623 HD2 ARG 82 1HD ARG 82 8.389 -5.977 9.639 624 HD3 ARG 82 2HD ARG 82 7.686 -6.752 8.216 625 HE ARG 82 HE ARG 82 8.270 -8.657 10.243 626 HH11 ARG 82 1HH1 ARG 82 5.900 -6.192 9.423 627 HH12 ARG 82 2HH1 ARG 82 4.624 -6.979 10.289 628 HH21 ARG 82 1HH2 ARG 82 6.617 -9.649 11.367 629 HH22 ARG 82 2HH2 ARG 82 5.034 -8.953 11.392 630 H ARG 83 H ARG 83 13.286 -5.025 7.493 631 HA ARG 83 HA ARG 83 13.130 -2.877 5.532 632 HB2 ARG 83 1HB ARG 83 15.655 -3.671 5.175 633 HB3 ARG 83 2HB ARG 83 15.201 -2.717 6.569 634 HG2 ARG 83 1HG ARG 83 16.666 -4.372 7.396 635 HG3 ARG 83 2HG ARG 83 15.055 -4.872 7.892 636 HD2 ARG 83 1HD ARG 83 15.030 -6.475 5.960 637 HD3 ARG 83 2HD ARG 83 16.711 -6.046 5.629 638 HE ARG 83 HE ARG 83 16.781 -6.773 8.225 639 HH11 ARG 83 1HH1 ARG 83 15.425 -8.428 5.431 640 HH12 ARG 83 2HH1 ARG 83 15.726 -10.008 6.074 641 HH21 ARG 83 1HH2 ARG 83 17.165 -8.832 9.049 642 HH22 ARG 83 2HH2 ARG 83 16.708 -10.233 8.133 643 H PHE 84 H PHE 84 12.532 -3.240 3.416 644 HA PHE 84 HA PHE 84 12.418 -6.042 2.479 645 HB2 PHE 84 1HB PHE 84 10.877 -3.585 1.532 646 HB3 PHE 84 2HB PHE 84 10.664 -5.223 0.917 647 HD1 PHE 84 HD2 PHE 84 9.830 -7.025 2.529 648 HD2 PHE 84 HD1 PHE 84 9.659 -2.857 3.472 649 HE1 PHE 84 HE2 PHE 84 8.154 -7.483 4.258 650 HE2 PHE 84 HE1 PHE 84 7.981 -3.326 5.211 651 HZ PHE 84 HZ PHE 84 7.227 -5.640 5.605 652 H GLN 85 H GLN 85 13.560 -6.664 0.722 653 HA GLN 85 HA GLN 85 15.506 -4.777 -0.392 654 HB2 GLN 85 1HB GLN 85 16.217 -7.060 0.397 655 HB3 GLN 85 2HB GLN 85 15.215 -7.779 -0.857 656 HG2 GLN 85 1HG GLN 85 16.626 -6.696 -2.590 657 HG3 GLN 85 2HG GLN 85 17.643 -6.008 -1.322 658 HE21 GLN 85 2HE2 GLN 85 19.477 -7.088 -2.138 659 HE22 GLN 85 1HE2 GLN 85 19.706 -8.793 -1.954 660 H THR 86 H THR 86 12.463 -6.232 -1.210 661 HA THR 86 HA THR 86 12.329 -4.536 -3.548 662 HB THR 86 HB THR 86 13.272 -6.681 -4.470 663 HG1 THR 86 HG1 THR 86 12.189 -5.539 -5.956 664 HG21 THR 86 3HG2 THR 86 11.828 -8.669 -4.699 665 HG22 THR 86 1HG2 THR 86 10.590 -7.902 -3.699 666 HG23 THR 86 2HG2 THR 86 12.155 -8.327 -3.000 667 H LEU 87 H LEU 87 10.139 -4.425 -4.426 668 HA LEU 87 HA LEU 87 8.123 -4.073 -2.504 669 HB2 LEU 87 1HB LEU 87 7.883 -4.377 -5.520 670 HB3 LEU 87 2HB LEU 87 6.555 -3.869 -4.482 671 HG LEU 87 HG LEU 87 9.164 -2.345 -4.881 672 HD11 LEU 87 1HD1 LEU 87 7.822 -0.688 -6.076 673 HD12 LEU 87 2HD1 LEU 87 6.384 -1.694 -5.906 674 HD13 LEU 87 3HD1 LEU 87 7.747 -2.256 -6.875 675 HD21 LEU 87 3HD2 LEU 87 8.112 -0.548 -3.560 676 HD22 LEU 87 1HD2 LEU 87 8.290 -2.016 -2.606 677 HD23 LEU 87 2HD2 LEU 87 6.709 -1.571 -3.253 678 H GLY 88 H GLY 88 8.886 -6.892 -4.513 679 HA2 GLY 88 1HA GLY 88 6.547 -8.410 -4.296 680 HA3 GLY 88 2HA GLY 88 8.168 -9.080 -4.423 681 H GLU 89 H GLU 89 9.276 -8.156 -2.055 682 HA GLU 89 HA GLU 89 8.436 -10.074 -0.134 683 HB2 GLU 89 1HB GLU 89 10.248 -7.652 0.179 684 HB3 GLU 89 2HB GLU 89 10.146 -8.991 1.322 685 HG2 GLU 89 1HG GLU 89 11.014 -9.294 -1.575 686 HG3 GLU 89 2HG GLU 89 12.135 -9.039 -0.241 687 H LEU 90 H LEU 90 7.920 -6.599 -0.484 688 HA LEU 90 HA LEU 90 6.688 -6.035 1.986 689 HB2 LEU 90 1HB LEU 90 7.612 -4.262 0.632 690 HB3 LEU 90 2HB LEU 90 6.600 -4.694 -0.735 691 HG LEU 90 HG LEU 90 4.580 -3.969 0.634 692 HD11 LEU 90 1HD1 LEU 90 6.650 -2.823 2.531 693 HD12 LEU 90 2HD1 LEU 90 5.519 -4.134 2.878 694 HD13 LEU 90 3HD1 LEU 90 4.911 -2.509 2.571 695 HD21 LEU 90 3HD2 LEU 90 5.524 -2.545 -1.126 696 HD22 LEU 90 1HD2 LEU 90 6.644 -1.823 0.035 697 HD23 LEU 90 2HD2 LEU 90 4.904 -1.575 0.208 698 H ILE 91 H ILE 91 5.410 -7.294 -1.054 699 HA ILE 91 HA ILE 91 2.652 -6.514 -0.378 700 HB ILE 91 HB ILE 91 3.777 -7.739 -2.943 701 HG12 ILE 91 1HG1 ILE 91 4.535 -5.416 -2.638 702 HG13 ILE 91 2HG1 ILE 91 3.369 -5.491 -3.948 703 HG21 ILE 91 1HG2 ILE 91 1.585 -7.246 -3.991 704 HG22 ILE 91 2HG2 ILE 91 0.953 -6.717 -2.428 705 HG23 ILE 91 3HG2 ILE 91 1.417 -8.404 -2.665 706 HD11 ILE 91 3HD1 ILE 91 3.069 -3.521 -2.558 707 HD12 ILE 91 1HD1 ILE 91 2.800 -4.535 -1.142 708 HD13 ILE 91 2HD1 ILE 91 1.653 -4.567 -2.486 709 H GLY 92 H GLY 92 4.787 -9.291 -0.521 710 HA2 GLY 92 1HA GLY 92 2.757 -11.326 -0.383 711 HA3 GLY 92 2HA GLY 92 4.483 -11.518 -0.096 712 H LEU 93 H LEU 93 5.045 -9.875 1.960 713 HA LEU 93 HA LEU 93 4.157 -11.185 4.273 714 HB2 LEU 93 1HB LEU 93 6.284 -9.783 3.865 715 HB3 LEU 93 2HB LEU 93 5.310 -8.367 4.204 716 HG LEU 93 HG LEU 93 5.569 -10.613 6.250 717 HD11 LEU 93 1HD1 LEU 93 7.437 -9.444 7.310 718 HD12 LEU 93 2HD1 LEU 93 7.480 -8.272 5.989 719 HD13 LEU 93 3HD1 LEU 93 7.858 -9.971 5.680 720 HD21 LEU 93 3HD2 LEU 93 5.109 -8.848 7.910 721 HD22 LEU 93 1HD2 LEU 93 3.813 -8.945 6.719 722 HD23 LEU 93 2HD2 LEU 93 4.998 -7.643 6.623 723 H TYR 94 H TYR 94 3.093 -8.098 2.814 724 HA TYR 94 HA TYR 94 1.189 -7.508 4.899 725 HB2 TYR 94 1HB TYR 94 2.026 -6.157 2.318 726 HB3 TYR 94 2HB TYR 94 0.586 -5.619 3.175 727 HD1 TYR 94 HD1 TYR 94 3.882 -6.747 4.629 728 HD2 TYR 94 HD2 TYR 94 1.193 -3.477 4.018 729 HE1 TYR 94 HE1 TYR 94 5.243 -5.346 6.115 730 HE2 TYR 94 HE2 TYR 94 2.558 -2.083 5.501 731 HH TYR 94 HH TYR 94 4.141 -2.323 7.294 732 H ALA 95 H ALA 95 1.062 -9.433 2.020 733 HA ALA 95 HA ALA 95 -1.792 -9.475 1.767 734 HB1 ALA 95 3HB ALA 95 -1.433 -11.507 0.423 735 HB2 ALA 95 1HB ALA 95 0.248 -11.579 0.969 736 HB3 ALA 95 2HB ALA 95 -0.298 -10.233 -0.034 737 H GLN 96 H GLN 96 0.085 -10.429 4.344 738 HA GLN 96 HA GLN 96 -2.169 -11.688 5.660 739 HB2 GLN 96 1HB GLN 96 -0.804 -13.640 6.505 740 HB3 GLN 96 2HB GLN 96 -1.144 -13.714 4.778 741 HG2 GLN 96 1HG GLN 96 1.140 -12.998 4.251 742 HG3 GLN 96 2HG GLN 96 1.490 -12.771 5.964 743 HE21 GLN 96 2HE2 GLN 96 0.905 -15.127 3.462 744 HE22 GLN 96 1HE2 GLN 96 1.580 -16.477 4.294 745 HA PRO 97 HA PRO 97 0.917 -8.766 7.690 746 HB2 PRO 97 1HB PRO 97 -0.584 -6.562 8.186 747 HB3 PRO 97 2HB PRO 97 0.069 -6.917 6.580 748 HG2 PRO 97 1HG PRO 97 -2.718 -7.327 7.629 749 HG3 PRO 97 2HG PRO 97 -2.195 -6.785 6.019 750 HD2 PRO 97 1HD PRO 97 -2.975 -9.397 6.644 751 HD3 PRO 97 2HD PRO 97 -1.978 -8.952 5.246 752 H ASN 98 H ASN 98 -2.407 -8.455 9.133 753 HA ASN 98 HA ASN 98 -3.157 -8.294 11.247 754 HB2 ASN 98 1HB ASN 98 -2.419 -10.777 11.131 755 HB3 ASN 98 2HB ASN 98 -0.978 -10.302 12.012 756 HD21 ASN 98 2HD2 ASN 98 -1.213 -9.660 14.230 757 HD22 ASN 98 1HD2 ASN 98 -2.635 -10.058 15.135 758 H GLN 99 H GLN 99 -1.644 -6.196 10.559 759 HA GLN 99 HA GLN 99 -0.102 -5.118 12.595 760 HB2 GLN 99 1HB GLN 99 1.467 -6.978 10.820 761 HB3 GLN 99 2HB GLN 99 2.225 -5.425 11.134 762 HG2 GLN 99 1HG GLN 99 2.096 -5.861 13.569 763 HG3 GLN 99 2HG GLN 99 1.380 -7.438 13.229 764 HE21 GLN 99 2HE2 GLN 99 4.275 -5.483 12.813 765 HE22 GLN 99 1HE2 GLN 99 5.363 -6.809 12.632 766 H GLY 100 H GLY 100 -1.590 -3.420 11.487 767 HA2 GLY 100 1HA GLY 100 -0.707 -1.181 11.138 768 HA3 GLY 100 2HA GLY 100 0.369 -1.826 9.912 769 H LEU 101 H LEU 101 -1.760 -3.549 8.777 770 HA LEU 101 HA LEU 101 -2.963 -1.528 7.036 771 HB2 LEU 101 1HB LEU 101 -2.962 -4.560 6.814 772 HB3 LEU 101 2HB LEU 101 -3.697 -3.468 5.645 773 HG LEU 101 HG LEU 101 -0.735 -3.791 6.253 774 HD11 LEU 101 1HD1 LEU 101 -2.340 -4.257 3.726 775 HD12 LEU 101 2HD1 LEU 101 -1.652 -5.488 4.793 776 HD13 LEU 101 3HD1 LEU 101 -0.585 -4.420 3.889 777 HD21 LEU 101 3HD2 LEU 101 -1.133 -1.401 5.961 778 HD22 LEU 101 1HD2 LEU 101 -2.016 -1.693 4.462 779 HD23 LEU 101 2HD2 LEU 101 -0.288 -2.049 4.559 780 H VAL 102 H VAL 102 -4.857 -0.819 7.331 781 HA VAL 102 HA VAL 102 -6.734 -1.318 9.228 782 HB VAL 102 HB VAL 102 -6.643 0.719 7.864 783 HG11 VAL 102 1HG1 VAL 102 -7.555 0.840 5.559 784 HG12 VAL 102 2HG1 VAL 102 -7.775 -0.909 5.554 785 HG13 VAL 102 3HG1 VAL 102 -6.152 -0.229 5.646 786 HG21 VAL 102 3HG2 VAL 102 -9.065 1.128 7.568 787 HG22 VAL 102 1HG2 VAL 102 -8.707 0.308 9.091 788 HG23 VAL 102 2HG2 VAL 102 -9.367 -0.603 7.732 789 H CYS 103 H CYS 103 -6.455 -3.035 6.127 790 HA CYS 103 HA CYS 103 -8.509 -4.981 6.892 791 HB2 CYS 103 1HB CYS 103 -9.783 -4.623 4.759 792 HB3 CYS 103 2HB CYS 103 -9.817 -3.199 5.803 793 HG CYS 103 HG CYS 103 -9.157 -1.648 3.884 794 H ALA 104 H ALA 104 -5.516 -4.627 5.959 795 HA ALA 104 HA ALA 104 -3.915 -5.964 5.043 796 HB1 ALA 104 3HB ALA 104 -5.179 -7.840 6.053 797 HB2 ALA 104 1HB ALA 104 -4.433 -8.317 4.525 798 HB3 ALA 104 2HB ALA 104 -6.159 -7.966 4.592 799 H LEU 105 H LEU 105 -4.131 -7.707 2.681 800 HA LEU 105 HA LEU 105 -4.760 -5.720 0.562 801 HB2 LEU 105 1HB LEU 105 -2.737 -8.016 0.452 802 HB3 LEU 105 2HB LEU 105 -3.055 -6.856 -0.831 803 HG LEU 105 HG LEU 105 -1.673 -6.334 1.828 804 HD11 LEU 105 1HD1 LEU 105 -0.652 -6.109 -1.017 805 HD12 LEU 105 2HD1 LEU 105 -0.264 -7.382 0.146 806 HD13 LEU 105 3HD1 LEU 105 0.253 -5.727 0.451 807 HD21 LEU 105 3HD2 LEU 105 -2.429 -4.268 -0.257 808 HD22 LEU 105 1HD2 LEU 105 -1.403 -3.988 1.147 809 HD23 LEU 105 2HD2 LEU 105 -3.099 -4.409 1.368 810 H LEU 106 H LEU 106 -5.595 -6.769 -1.451 811 HA LEU 106 HA LEU 106 -6.696 -9.411 -1.383 812 HB2 LEU 106 1HB LEU 106 -8.251 -8.363 0.247 813 HB3 LEU 106 2HB LEU 106 -8.685 -7.141 -0.935 814 HG LEU 106 HG LEU 106 -9.643 -8.967 -2.401 815 HD11 LEU 106 1HD1 LEU 106 -8.332 -10.856 -1.563 816 HD12 LEU 106 2HD1 LEU 106 -10.060 -11.186 -1.484 817 HD13 LEU 106 3HD1 LEU 106 -9.172 -10.774 -0.011 818 HD21 LEU 106 3HD2 LEU 106 -11.695 -9.282 -1.115 819 HD22 LEU 106 1HD2 LEU 106 -11.097 -7.630 -0.948 820 HD23 LEU 106 2HD2 LEU 106 -10.869 -8.788 0.367 821 H LEU 107 H LEU 107 -7.537 -6.175 -2.700 822 HA LEU 107 HA LEU 107 -8.066 -7.474 -5.313 823 HB2 LEU 107 1HB LEU 107 -10.054 -6.530 -4.054 824 HB3 LEU 107 2HB LEU 107 -9.334 -4.937 -4.214 825 HG LEU 107 HG LEU 107 -9.465 -5.160 -6.717 826 HD11 LEU 107 1HD1 LEU 107 -10.996 -7.714 -6.137 827 HD12 LEU 107 2HD1 LEU 107 -9.404 -7.596 -6.890 828 HD13 LEU 107 3HD1 LEU 107 -10.815 -6.947 -7.716 829 HD21 LEU 107 3HD2 LEU 107 -11.229 -3.967 -5.489 830 HD22 LEU 107 1HD2 LEU 107 -12.134 -5.474 -5.300 831 HD23 LEU 107 2HD2 LEU 107 -11.877 -4.787 -6.908 832 HA PRO 108 HA PRO 108 -4.750 -4.534 -6.629 833 HB2 PRO 108 1HB PRO 108 -4.472 -6.459 -8.884 834 HB3 PRO 108 2HB PRO 108 -3.257 -5.915 -7.723 835 HG2 PRO 108 1HG PRO 108 -4.229 -8.434 -7.666 836 HG3 PRO 108 2HG PRO 108 -3.780 -7.573 -6.179 837 HD2 PRO 108 1HD PRO 108 -6.534 -7.943 -7.382 838 HD3 PRO 108 2HD PRO 108 -6.000 -8.167 -5.696 839 H VAL 109 H VAL 109 -6.046 -2.822 -7.370 840 HA VAL 109 HA VAL 109 -8.212 -3.336 -9.266 841 HB VAL 109 HB VAL 109 -7.489 -0.844 -7.642 842 HG11 VAL 109 1HG1 VAL 109 -9.964 -1.353 -9.344 843 HG12 VAL 109 2HG1 VAL 109 -8.692 -0.178 -9.686 844 HG13 VAL 109 3HG1 VAL 109 -9.729 0.028 -8.273 845 HG21 VAL 109 3HG2 VAL 109 -9.718 -2.875 -7.215 846 HG22 VAL 109 1HG2 VAL 109 -9.442 -1.423 -6.248 847 HG23 VAL 109 2HG2 VAL 109 -8.255 -2.729 -6.236 Start of MODEL 15 1 H1 MET 1 1H MET 1 -3.080 -1.734 -47.937 2 H2 MET 1 2H MET 1 -3.123 -2.796 -46.633 3 H3 MET 1 3H MET 1 -2.743 -3.377 -48.173 4 HA MET 1 HA MET 1 -0.802 -3.206 -46.790 5 HB2 MET 1 1HB MET 1 0.605 -1.863 -48.374 6 HB3 MET 1 2HB MET 1 -0.479 -2.973 -49.194 7 HG2 MET 1 1HG MET 1 -2.003 -1.103 -49.706 8 HG3 MET 1 2HG MET 1 -0.904 0.010 -48.891 9 HE1 MET 1 3HE MET 1 0.045 -3.071 -51.257 10 HE2 MET 1 1HE MET 1 0.136 -2.246 -52.815 11 HE3 MET 1 2HE MET 1 -1.409 -2.384 -51.992 12 H GLY 2 H GLY 2 0.065 -2.254 -45.052 13 HA2 GLY 2 1HA GLY 2 0.572 0.386 -44.520 14 HA3 GLY 2 2HA GLY 2 -1.066 0.130 -43.911 15 H HIS 3 H HIS 3 -0.482 0.392 -41.760 16 HA HIS 3 HA HIS 3 0.465 -1.945 -40.404 17 HB2 HIS 3 1HB HIS 3 2.303 -0.702 -39.108 18 HB3 HIS 3 2HB HIS 3 2.687 -1.118 -40.772 19 HD1 HIS 3 HD1 HIS 3 2.546 0.926 -42.529 20 HD2 HIS 3 HD2 HIS 3 2.556 1.968 -38.507 21 HE1 HIS 3 HE1 HIS 3 3.126 3.366 -42.465 22 HE2 HIS 3 HE2 HIS 3 3.073 3.988 -40.031 23 H HIS 4 H HIS 4 -1.509 -1.969 -39.439 24 HA HIS 4 HA HIS 4 -2.500 0.322 -37.891 25 HB2 HIS 4 1HB HIS 4 -3.719 -2.425 -38.424 26 HB3 HIS 4 2HB HIS 4 -4.507 -1.146 -37.503 27 HD1 HIS 4 HD1 HIS 4 -3.946 -2.348 -40.934 28 HD2 HIS 4 HD2 HIS 4 -5.228 1.156 -39.102 29 HE1 HIS 4 HE1 HIS 4 -5.008 -0.982 -42.757 30 HE2 HIS 4 HE2 HIS 4 -5.674 1.172 -41.644 31 H HIS 5 H HIS 5 -1.770 0.577 -35.885 32 HA HIS 5 HA HIS 5 -0.922 -1.743 -34.241 33 HB2 HIS 5 1HB HIS 5 -0.156 1.210 -34.081 34 HB3 HIS 5 2HB HIS 5 0.350 -0.002 -32.909 35 HD1 HIS 5 HD1 HIS 5 2.214 -1.620 -33.588 36 HD2 HIS 5 HD2 HIS 5 1.142 1.016 -36.614 37 HE1 HIS 5 HE1 HIS 5 3.992 -1.848 -35.339 38 HE2 HIS 5 HE2 HIS 5 3.209 -0.399 -37.234 39 H HIS 6 H HIS 6 -1.941 -2.178 -32.363 40 HA HIS 6 HA HIS 6 -3.550 -0.233 -30.935 41 HB2 HIS 6 1HB HIS 6 -5.189 -1.048 -32.599 42 HB3 HIS 6 2HB HIS 6 -4.866 -2.716 -32.140 43 HD1 HIS 6 HD1 HIS 6 -6.338 0.469 -30.670 44 HD2 HIS 6 HD2 HIS 6 -6.460 -3.643 -30.098 45 HE1 HIS 6 HE1 HIS 6 -8.073 0.093 -28.904 46 HE2 HIS 6 HE2 HIS 6 -8.197 -2.407 -28.638 47 H HIS 7 H HIS 7 -1.967 -0.607 -29.373 48 HA HIS 7 HA HIS 7 -2.609 -2.845 -27.576 49 HB2 HIS 7 1HB HIS 7 0.228 -2.061 -28.390 50 HB3 HIS 7 2HB HIS 7 -0.125 -2.995 -26.945 51 HD1 HIS 7 HD1 HIS 7 1.095 -3.549 -30.148 52 HD2 HIS 7 HD2 HIS 7 -1.823 -5.434 -27.878 53 HE1 HIS 7 HE1 HIS 7 0.874 -5.849 -31.121 54 HE2 HIS 7 HE2 HIS 7 -0.812 -7.010 -29.659 55 H HIS 8 H HIS 8 -2.258 -2.359 -25.373 56 HA HIS 8 HA HIS 8 -1.368 0.361 -24.619 57 HB2 HIS 8 1HB HIS 8 -3.821 -1.108 -23.547 58 HB3 HIS 8 2HB HIS 8 -3.104 0.280 -22.744 59 HD1 HIS 8 HD1 HIS 8 -5.650 -0.574 -25.132 60 HD2 HIS 8 HD2 HIS 8 -3.170 2.691 -24.496 61 HE1 HIS 8 HE1 HIS 8 -6.757 1.338 -26.309 62 HE2 HIS 8 HE2 HIS 8 -5.333 3.339 -25.761 63 H SER 9 H SER 9 -0.532 0.468 -22.429 64 HA SER 9 HA SER 9 1.138 -1.683 -21.652 65 HB2 SER 9 1HB SER 9 1.679 0.677 -21.130 66 HB3 SER 9 2HB SER 9 0.277 0.784 -20.064 67 HG SER 9 HG SER 9 2.748 -0.133 -19.535 68 H HIS 10 H HIS 10 1.102 -2.839 -19.621 69 HA HIS 10 HA HIS 10 -1.542 -3.360 -18.424 70 HB2 HIS 10 1HB HIS 10 -1.203 -5.824 -18.626 71 HB3 HIS 10 2HB HIS 10 -1.369 -5.043 -20.186 72 HD1 HIS 10 HD1 HIS 10 0.724 -7.395 -18.419 73 HD2 HIS 10 HD2 HIS 10 1.284 -4.653 -21.494 74 HE1 HIS 10 HE1 HIS 10 2.876 -8.057 -19.530 75 HE2 HIS 10 HE2 HIS 10 3.292 -6.263 -21.239 76 H MET 11 H MET 11 -0.985 -2.471 -16.508 77 HA MET 11 HA MET 11 0.882 -4.022 -14.816 78 HB2 MET 11 1HB MET 11 0.379 -1.015 -14.595 79 HB3 MET 11 2HB MET 11 1.385 -1.977 -13.519 80 HG2 MET 11 1HG MET 11 2.866 -2.490 -15.480 81 HG3 MET 11 2HG MET 11 1.921 -1.336 -16.427 82 HE1 MET 11 3HE MET 11 2.708 2.050 -14.547 83 HE2 MET 11 1HE MET 11 1.343 0.991 -14.205 84 HE3 MET 11 2HE MET 11 1.820 1.294 -15.873 85 H SER 12 H SER 12 -0.103 -4.897 -13.076 86 HA SER 12 HA SER 12 -2.918 -5.073 -13.075 87 HB2 SER 12 1HB SER 12 -0.950 -6.043 -10.957 88 HB3 SER 12 2HB SER 12 -2.628 -6.570 -11.112 89 HG SER 12 HG SER 12 -0.983 -6.776 -13.362 90 H TRP 13 H TRP 13 -1.176 -4.277 -10.009 91 HA TRP 13 HA TRP 13 -3.112 -2.086 -9.546 92 HB2 TRP 13 1HB TRP 13 -2.392 -2.596 -7.062 93 HB3 TRP 13 2HB TRP 13 -3.535 -3.660 -7.867 94 HD1 TRP 13 HD1 TRP 13 -2.968 -6.175 -7.846 95 HE1 TRP 13 HE1 TRP 13 -0.945 -7.606 -7.205 96 HE3 TRP 13 HE3 TRP 13 0.490 -2.459 -7.063 97 HZ2 TRP 13 HZ2 TRP 13 1.753 -7.254 -6.518 98 HZ3 TRP 13 HZ3 TRP 13 2.773 -3.110 -6.423 99 HH2 TRP 13 HH2 TRP 13 3.390 -5.458 -6.148 100 H TYR 14 H TYR 14 -0.245 -2.083 -10.844 101 HA TYR 14 HA TYR 14 1.018 -0.149 -8.969 102 HB2 TYR 14 1HB TYR 14 2.383 -2.241 -9.463 103 HB3 TYR 14 2HB TYR 14 2.444 -1.756 -11.152 104 HD1 TYR 14 HD2 TYR 14 3.592 -0.947 -7.732 105 HD2 TYR 14 HD1 TYR 14 3.963 0.066 -11.868 106 HE1 TYR 14 HE2 TYR 14 5.575 0.404 -7.221 107 HE2 TYR 14 HE1 TYR 14 5.955 1.403 -11.350 108 HH TYR 14 HH TYR 14 6.866 2.639 -9.301 109 H HIS 15 H HIS 15 0.563 1.901 -9.656 110 HA HIS 15 HA HIS 15 0.721 2.481 -12.563 111 HB2 HIS 15 1HB HIS 15 -0.795 3.947 -10.346 112 HB3 HIS 15 2HB HIS 15 -0.617 4.558 -11.988 113 HD1 HIS 15 HD1 HIS 15 -2.143 3.633 -13.767 114 HD2 HIS 15 HD2 HIS 15 -2.480 1.617 -10.145 115 HE1 HIS 15 HE1 HIS 15 -4.126 2.122 -14.023 116 HE2 HIS 15 HE2 HIS 15 -4.417 1.052 -11.760 117 H ARG 16 H ARG 16 2.526 3.467 -13.131 118 HA ARG 16 HA ARG 16 4.525 4.196 -11.282 119 HB2 ARG 16 1HB ARG 16 4.320 4.610 -14.286 120 HB3 ARG 16 2HB ARG 16 5.762 5.022 -13.352 121 HG2 ARG 16 1HG ARG 16 5.900 2.660 -12.580 122 HG3 ARG 16 2HG ARG 16 4.524 2.256 -13.607 123 HD2 ARG 16 1HD ARG 16 5.818 2.780 -15.600 124 HD3 ARG 16 2HD ARG 16 7.173 3.351 -14.620 125 HE ARG 16 HE ARG 16 7.051 0.908 -13.706 126 HH11 ARG 16 1HH1 ARG 16 6.732 1.854 -17.084 127 HH12 ARG 16 2HH1 ARG 16 7.271 0.318 -17.680 128 HH21 ARG 16 1HH2 ARG 16 7.784 -1.066 -14.495 129 HH22 ARG 16 2HH2 ARG 16 7.878 -1.333 -16.209 130 H ASP 17 H ASP 17 2.636 6.293 -13.543 131 HA ASP 17 HA ASP 17 3.332 8.627 -11.849 132 HB2 ASP 17 1HB ASP 17 2.946 10.021 -13.923 133 HB3 ASP 17 2HB ASP 17 4.333 8.949 -14.026 134 H LEU 18 H LEU 18 1.652 8.202 -10.479 135 HA LEU 18 HA LEU 18 -1.024 9.004 -11.435 136 HB2 LEU 18 1HB LEU 18 -0.952 6.514 -11.040 137 HB3 LEU 18 2HB LEU 18 -0.447 6.810 -9.386 138 HG LEU 18 HG LEU 18 -2.642 7.944 -8.939 139 HD11 LEU 18 1HD1 LEU 18 -3.182 8.732 -11.185 140 HD12 LEU 18 2HD1 LEU 18 -4.492 7.744 -10.548 141 HD13 LEU 18 3HD1 LEU 18 -3.388 7.069 -11.750 142 HD21 LEU 18 3HD2 LEU 18 -2.898 5.109 -10.004 143 HD22 LEU 18 1HD2 LEU 18 -4.023 5.903 -8.897 144 HD23 LEU 18 2HD2 LEU 18 -2.371 5.571 -8.383 145 H SER 19 H SER 19 -1.883 10.620 -10.193 146 HA SER 19 HA SER 19 -0.353 11.777 -8.017 147 HB2 SER 19 1HB SER 19 -3.077 12.544 -9.173 148 HB3 SER 19 2HB SER 19 -2.084 13.540 -8.101 149 HG SER 19 HG SER 19 -0.932 12.581 -10.461 150 H ARG 20 H ARG 20 -1.324 12.141 -5.846 151 HA ARG 20 HA ARG 20 -2.382 9.718 -4.802 152 HB2 ARG 20 1HB ARG 20 -0.914 11.191 -3.437 153 HB3 ARG 20 2HB ARG 20 -2.186 12.408 -3.386 154 HG2 ARG 20 1HG ARG 20 -3.669 10.721 -2.236 155 HG3 ARG 20 2HG ARG 20 -2.297 9.617 -2.181 156 HD2 ARG 20 1HD ARG 20 -1.083 11.151 -0.726 157 HD3 ARG 20 2HD ARG 20 -2.373 12.353 -0.879 158 HE ARG 20 HE ARG 20 -3.473 9.931 0.071 159 HH11 ARG 20 1HH1 ARG 20 -1.410 12.527 1.214 160 HH12 ARG 20 2HH1 ARG 20 -1.875 12.323 2.870 161 HH21 ARG 20 1HH2 ARG 20 -4.098 9.701 2.229 162 HH22 ARG 20 2HH2 ARG 20 -3.404 10.721 3.449 163 H ALA 21 H ALA 21 -3.871 12.948 -5.371 164 HA ALA 21 HA ALA 21 -6.421 12.559 -4.373 165 HB1 ALA 21 3HB ALA 21 -7.135 14.290 -5.985 166 HB2 ALA 21 1HB ALA 21 -5.635 14.067 -6.895 167 HB3 ALA 21 2HB ALA 21 -5.585 14.703 -5.253 168 H ALA 22 H ALA 22 -5.238 11.812 -7.638 169 HA ALA 22 HA ALA 22 -7.590 10.555 -8.605 170 HB1 ALA 22 3HB ALA 22 -6.192 9.844 -10.496 171 HB2 ALA 22 1HB ALA 22 -4.736 10.309 -9.607 172 HB3 ALA 22 2HB ALA 22 -5.904 11.536 -10.096 173 H ALA 23 H ALA 23 -4.941 9.354 -6.646 174 HA ALA 23 HA ALA 23 -5.264 6.546 -7.216 175 HB1 ALA 23 3HB ALA 23 -3.689 6.201 -5.354 176 HB2 ALA 23 1HB ALA 23 -3.862 7.896 -4.877 177 HB3 ALA 23 2HB ALA 23 -3.119 7.484 -6.424 178 H GLU 24 H GLU 24 -6.142 8.588 -4.377 179 HA GLU 24 HA GLU 24 -7.557 6.654 -2.918 180 HB2 GLU 24 1HB GLU 24 -8.482 9.539 -2.789 181 HB3 GLU 24 2HB GLU 24 -8.289 8.374 -1.488 182 HG2 GLU 24 1HG GLU 24 -6.060 9.848 -2.910 183 HG3 GLU 24 2HG GLU 24 -6.723 10.248 -1.334 184 H GLU 25 H GLU 25 -8.546 8.908 -5.414 185 HA GLU 25 HA GLU 25 -11.346 8.504 -5.399 186 HB2 GLU 25 1HB GLU 25 -10.300 10.443 -6.535 187 HB3 GLU 25 2HB GLU 25 -9.499 9.367 -7.677 188 HG2 GLU 25 1HG GLU 25 -11.777 8.659 -8.498 189 HG3 GLU 25 2HG GLU 25 -12.485 9.875 -7.437 190 H LEU 26 H LEU 26 -8.771 7.114 -7.416 191 HA LEU 26 HA LEU 26 -10.169 5.278 -8.922 192 HB2 LEU 26 1HB LEU 26 -7.685 5.931 -9.036 193 HB3 LEU 26 2HB LEU 26 -7.399 4.747 -7.786 194 HG LEU 26 HG LEU 26 -6.828 4.056 -10.167 195 HD11 LEU 26 1HD1 LEU 26 -8.758 2.233 -8.730 196 HD12 LEU 26 2HD1 LEU 26 -7.025 2.375 -8.431 197 HD13 LEU 26 3HD1 LEU 26 -7.596 1.760 -9.978 198 HD21 LEU 26 3HD2 LEU 26 -8.756 5.050 -11.296 199 HD22 LEU 26 1HD2 LEU 26 -9.833 3.885 -10.516 200 HD23 LEU 26 2HD2 LEU 26 -8.609 3.335 -11.665 201 H LEU 27 H LEU 27 -9.093 4.961 -5.569 202 HA LEU 27 HA LEU 27 -9.914 2.175 -5.371 203 HB2 LEU 27 1HB LEU 27 -8.954 4.154 -3.292 204 HB3 LEU 27 2HB LEU 27 -9.409 2.494 -2.912 205 HG LEU 27 HG LEU 27 -7.129 3.335 -4.739 206 HD11 LEU 27 1HD1 LEU 27 -7.081 2.111 -1.979 207 HD12 LEU 27 2HD1 LEU 27 -6.669 3.774 -2.408 208 HD13 LEU 27 3HD1 LEU 27 -5.675 2.447 -2.999 209 HD21 LEU 27 3HD2 LEU 27 -7.988 0.528 -3.936 210 HD22 LEU 27 1HD2 LEU 27 -6.518 0.944 -4.827 211 HD23 LEU 27 2HD2 LEU 27 -8.095 1.237 -5.549 212 H ALA 28 H ALA 28 -11.250 5.343 -4.574 213 HA ALA 28 HA ALA 28 -13.331 4.435 -2.851 214 HB1 ALA 28 3HB ALA 28 -12.501 6.753 -2.773 215 HB2 ALA 28 1HB ALA 28 -14.240 6.725 -3.095 216 HB3 ALA 28 2HB ALA 28 -13.100 7.037 -4.410 217 H ARG 29 H ARG 29 -13.115 5.153 -6.303 218 HA ARG 29 HA ARG 29 -15.910 4.557 -6.825 219 HB2 ARG 29 1HB ARG 29 -13.696 5.414 -8.734 220 HB3 ARG 29 2HB ARG 29 -15.414 5.309 -9.121 221 HG2 ARG 29 1HG ARG 29 -15.859 7.054 -7.366 222 HG3 ARG 29 2HG ARG 29 -14.114 7.225 -7.151 223 HD2 ARG 29 1HD ARG 29 -13.927 7.889 -9.544 224 HD3 ARG 29 2HD ARG 29 -15.686 7.773 -9.697 225 HE ARG 29 HE ARG 29 -14.437 9.621 -7.750 226 HH11 ARG 29 1HH1 ARG 29 -16.542 9.152 -10.509 227 HH12 ARG 29 2HH1 ARG 29 -17.061 10.805 -10.547 228 HH21 ARG 29 1HH2 ARG 29 -15.117 11.779 -7.801 229 HH22 ARG 29 2HH2 ARG 29 -16.251 12.294 -9.008 230 H ALA 30 H ALA 30 -12.755 3.367 -8.154 231 HA ALA 30 HA ALA 30 -14.045 1.135 -9.469 232 HB1 ALA 30 3HB ALA 30 -11.070 1.649 -9.117 233 HB2 ALA 30 1HB ALA 30 -12.053 2.199 -10.477 234 HB3 ALA 30 2HB ALA 30 -11.807 0.474 -10.206 235 H GLY 31 H GLY 31 -11.708 1.398 -6.695 236 HA2 GLY 31 1HA GLY 31 -11.475 -1.282 -6.110 237 HA3 GLY 31 2HA GLY 31 -11.258 0.037 -4.977 238 H ARG 32 H ARG 32 -12.846 -2.750 -5.349 239 HA ARG 32 HA ARG 32 -15.523 -2.107 -4.620 240 HB2 ARG 32 1HB ARG 32 -14.060 -4.759 -4.364 241 HB3 ARG 32 2HB ARG 32 -15.808 -4.534 -4.317 242 HG2 ARG 32 1HG ARG 32 -15.701 -3.717 -6.696 243 HG3 ARG 32 2HG ARG 32 -13.974 -4.079 -6.699 244 HD2 ARG 32 1HD ARG 32 -15.205 -5.884 -7.779 245 HD3 ARG 32 2HD ARG 32 -14.498 -6.473 -6.271 246 HE ARG 32 HE ARG 32 -16.851 -5.935 -5.335 247 HH11 ARG 32 1HH1 ARG 32 -16.267 -7.217 -8.544 248 HH12 ARG 32 2HH1 ARG 32 -17.806 -8.008 -8.639 249 HH21 ARG 32 1HH2 ARG 32 -18.872 -6.951 -5.478 250 HH22 ARG 32 2HH2 ARG 32 -19.286 -7.849 -6.901 251 H ASP 33 H ASP 33 -12.635 -3.120 -2.811 252 HA ASP 33 HA ASP 33 -12.881 -2.099 -0.387 253 HB2 ASP 33 1HB ASP 33 -15.027 -4.138 -0.552 254 HB3 ASP 33 2HB ASP 33 -13.945 -4.480 0.786 255 H GLY 34 H GLY 34 -11.041 -2.668 0.735 256 HA2 GLY 34 1HA GLY 34 -9.133 -3.808 1.326 257 HA3 GLY 34 2HA GLY 34 -9.845 -5.289 0.695 258 H SER 35 H SER 35 -9.733 -2.513 -1.328 259 HA SER 35 HA SER 35 -8.035 -3.796 -3.280 260 HB2 SER 35 1HB SER 35 -9.340 -1.045 -3.355 261 HB3 SER 35 2HB SER 35 -8.757 -1.990 -4.730 262 HG SER 35 HG SER 35 -10.537 -3.129 -4.707 263 H PHE 36 H PHE 36 -5.991 -2.999 -3.947 264 HA PHE 36 HA PHE 36 -4.900 -0.643 -2.584 265 HB2 PHE 36 1HB PHE 36 -2.880 -1.761 -1.852 266 HB3 PHE 36 2HB PHE 36 -4.254 -2.642 -1.208 267 HD1 PHE 36 HD2 PHE 36 -4.947 -4.832 -2.366 268 HD2 PHE 36 HD1 PHE 36 -1.229 -2.881 -3.182 269 HE1 PHE 36 HE2 PHE 36 -4.050 -6.915 -3.311 270 HE2 PHE 36 HE1 PHE 36 -0.347 -4.970 -4.125 271 HZ PHE 36 HZ PHE 36 -1.756 -6.981 -4.190 272 H LEU 37 H LEU 37 -3.262 0.404 -3.673 273 HA LEU 37 HA LEU 37 -2.140 -0.775 -6.100 274 HB2 LEU 37 1HB LEU 37 -2.399 1.321 -7.366 275 HB3 LEU 37 2HB LEU 37 -3.934 0.634 -6.909 276 HG LEU 37 HG LEU 37 -3.846 2.422 -4.939 277 HD11 LEU 37 1HD1 LEU 37 -2.033 3.765 -6.969 278 HD12 LEU 37 2HD1 LEU 37 -1.586 3.250 -5.338 279 HD13 LEU 37 3HD1 LEU 37 -2.772 4.534 -5.558 280 HD21 LEU 37 3HD2 LEU 37 -4.509 3.253 -7.790 281 HD22 LEU 37 1HD2 LEU 37 -5.098 4.026 -6.314 282 HD23 LEU 37 2HD2 LEU 37 -5.576 2.371 -6.694 283 H VAL 38 H VAL 38 -0.031 -0.051 -6.600 284 HA VAL 38 HA VAL 38 1.300 1.545 -4.489 285 HB VAL 38 HB VAL 38 2.610 -0.607 -6.216 286 HG11 VAL 38 1HG1 VAL 38 4.193 1.181 -5.611 287 HG12 VAL 38 2HG1 VAL 38 4.584 -0.301 -4.737 288 HG13 VAL 38 3HG1 VAL 38 3.752 1.016 -3.907 289 HG21 VAL 38 3HG2 VAL 38 2.801 -1.957 -4.161 290 HG22 VAL 38 1HG2 VAL 38 1.108 -1.638 -4.553 291 HG23 VAL 38 2HG2 VAL 38 1.902 -0.732 -3.263 292 H ARG 39 H ARG 39 2.493 3.221 -5.187 293 HA ARG 39 HA ARG 39 2.667 3.877 -8.043 294 HB2 ARG 39 1HB ARG 39 1.876 6.226 -7.446 295 HB3 ARG 39 2HB ARG 39 0.629 4.982 -7.364 296 HG2 ARG 39 1HG ARG 39 0.799 4.914 -4.918 297 HG3 ARG 39 2HG ARG 39 2.134 6.070 -4.947 298 HD2 ARG 39 1HD ARG 39 -0.715 6.641 -5.852 299 HD3 ARG 39 2HD ARG 39 -0.004 7.139 -4.309 300 HE ARG 39 HE ARG 39 0.908 8.075 -6.973 301 HH11 ARG 39 1HH1 ARG 39 0.404 8.747 -3.548 302 HH12 ARG 39 2HH1 ARG 39 1.006 10.367 -3.668 303 HH21 ARG 39 1HH2 ARG 39 1.700 10.175 -7.098 304 HH22 ARG 39 2HH2 ARG 39 1.751 11.174 -5.680 305 H ASP 40 H ASP 40 4.115 5.764 -8.382 306 HA ASP 40 HA ASP 40 6.470 5.606 -6.644 307 HB2 ASP 40 1HB ASP 40 5.987 7.003 -9.304 308 HB3 ASP 40 2HB ASP 40 7.487 7.179 -8.396 309 H SER 41 H SER 41 7.032 7.107 -5.212 310 HA SER 41 HA SER 41 5.485 9.563 -4.813 311 HB2 SER 41 1HB SER 41 7.673 8.280 -3.109 312 HB3 SER 41 2HB SER 41 6.693 9.678 -2.652 313 HG SER 41 HG SER 41 5.605 7.121 -3.270 314 H GLU 42 H GLU 42 6.911 11.552 -4.323 315 HA GLU 42 HA GLU 42 9.416 11.659 -5.803 316 HB2 GLU 42 1HB GLU 42 7.529 12.070 -7.491 317 HB3 GLU 42 2HB GLU 42 7.087 13.502 -6.562 318 HG2 GLU 42 1HG GLU 42 9.444 14.350 -6.936 319 HG3 GLU 42 2HG GLU 42 9.690 12.990 -8.031 320 H SER 43 H SER 43 10.004 11.887 -3.573 321 HA SER 43 HA SER 43 10.143 14.543 -2.552 322 HB2 SER 43 1HB SER 43 7.778 13.966 -1.880 323 HB3 SER 43 2HB SER 43 8.396 12.593 -0.962 324 HG SER 43 HG SER 43 8.969 15.343 -0.517 325 H VAL 44 H VAL 44 9.998 11.295 -0.991 326 HA VAL 44 HA VAL 44 12.685 11.549 0.093 327 HB VAL 44 HB VAL 44 10.758 9.171 0.190 328 HG11 VAL 44 1HG1 VAL 44 12.190 8.306 2.030 329 HG12 VAL 44 2HG1 VAL 44 13.315 9.643 1.783 330 HG13 VAL 44 3HG1 VAL 44 13.091 8.435 0.516 331 HG21 VAL 44 3HG2 VAL 44 10.278 9.873 2.519 332 HG22 VAL 44 1HG2 VAL 44 9.827 11.128 1.359 333 HG23 VAL 44 2HG2 VAL 44 11.311 11.290 2.303 334 H ALA 45 H ALA 45 13.930 11.708 -1.775 335 HA ALA 45 HA ALA 45 14.788 11.310 -3.847 336 HB1 ALA 45 3HB ALA 45 15.081 8.552 -2.609 337 HB2 ALA 45 1HB ALA 45 16.167 9.921 -2.353 338 HB3 ALA 45 2HB ALA 45 16.034 9.184 -3.952 339 H GLY 46 H GLY 46 14.298 8.092 -4.641 340 HA2 GLY 46 1HA GLY 46 11.779 8.587 -6.111 341 HA3 GLY 46 2HA GLY 46 13.045 7.447 -6.593 342 H ALA 47 H ALA 47 10.569 8.124 -4.219 343 HA ALA 47 HA ALA 47 10.927 5.536 -2.866 344 HB1 ALA 47 3HB ALA 47 9.443 6.422 -1.116 345 HB2 ALA 47 1HB ALA 47 9.190 7.896 -2.056 346 HB3 ALA 47 2HB ALA 47 10.791 7.521 -1.414 347 H PHE 48 H PHE 48 8.826 4.528 -2.108 348 HA PHE 48 HA PHE 48 6.755 4.457 -4.235 349 HB2 PHE 48 1HB PHE 48 7.454 2.274 -2.214 350 HB3 PHE 48 2HB PHE 48 6.214 2.165 -3.456 351 HD1 PHE 48 HD2 PHE 48 6.864 1.949 -5.855 352 HD2 PHE 48 HD1 PHE 48 9.797 1.916 -2.736 353 HE1 PHE 48 HE2 PHE 48 8.524 1.025 -7.413 354 HE2 PHE 48 HE1 PHE 48 11.449 0.985 -4.302 355 HZ PHE 48 HZ PHE 48 10.815 0.543 -6.647 356 H ALA 49 H ALA 49 4.565 4.389 -3.573 357 HA ALA 49 HA ALA 49 3.882 4.643 -0.714 358 HB1 ALA 49 3HB ALA 49 3.743 6.901 -1.710 359 HB2 ALA 49 1HB ALA 49 2.136 6.309 -1.279 360 HB3 ALA 49 2HB ALA 49 2.665 6.295 -2.964 361 H LEU 50 H LEU 50 1.867 3.700 -0.191 362 HA LEU 50 HA LEU 50 0.684 1.861 -2.185 363 HB2 LEU 50 1HB LEU 50 2.147 0.569 -0.748 364 HB3 LEU 50 2HB LEU 50 1.507 1.337 0.689 365 HG LEU 50 HG LEU 50 -0.650 0.161 0.390 366 HD11 LEU 50 1HD1 LEU 50 -0.697 -0.074 -2.048 367 HD12 LEU 50 2HD1 LEU 50 -0.956 -1.617 -1.239 368 HD13 LEU 50 3HD1 LEU 50 0.612 -1.260 -1.964 369 HD21 LEU 50 3HD2 LEU 50 1.067 -0.868 1.791 370 HD22 LEU 50 1HD2 LEU 50 1.725 -1.719 0.390 371 HD23 LEU 50 2HD2 LEU 50 0.102 -2.097 0.975 372 H CYS 51 H CYS 51 -1.339 2.588 -2.493 373 HA CYS 51 HA CYS 51 -2.839 3.935 -0.346 374 HB2 CYS 51 1HB CYS 51 -3.532 3.676 -3.311 375 HB3 CYS 51 2HB CYS 51 -4.342 4.707 -2.128 376 HG CYS 51 HG CYS 51 -2.965 6.763 -2.790 377 H VAL 52 H VAL 52 -4.452 2.761 0.694 378 HA VAL 52 HA VAL 52 -5.454 0.269 -0.561 379 HB VAL 52 HB VAL 52 -4.670 0.450 2.397 380 HG11 VAL 52 1HG1 VAL 52 -5.626 -1.942 0.753 381 HG12 VAL 52 2HG1 VAL 52 -6.551 -1.095 1.995 382 HG13 VAL 52 3HG1 VAL 52 -5.103 -2.001 2.442 383 HG21 VAL 52 3HG2 VAL 52 -2.619 0.402 1.032 384 HG22 VAL 52 1HG2 VAL 52 -3.198 -1.029 0.171 385 HG23 VAL 52 2HG2 VAL 52 -2.826 -1.124 1.893 386 H LEU 53 H LEU 53 -7.615 0.402 -0.669 387 HA LEU 53 HA LEU 53 -9.211 2.023 1.141 388 HB2 LEU 53 1HB LEU 53 -9.882 2.042 -1.199 389 HB3 LEU 53 2HB LEU 53 -9.921 0.287 -1.251 390 HG LEU 53 HG LEU 53 -11.834 0.387 0.454 391 HD11 LEU 53 1HD1 LEU 53 -13.120 2.454 0.653 392 HD12 LEU 53 2HD1 LEU 53 -11.898 3.327 -0.271 393 HD13 LEU 53 3HD1 LEU 53 -11.494 2.653 1.313 394 HD21 LEU 53 3HD2 LEU 53 -12.358 1.602 -2.256 395 HD22 LEU 53 1HD2 LEU 53 -13.554 0.834 -1.212 396 HD23 LEU 53 2HD2 LEU 53 -12.235 -0.121 -1.893 397 H TYR 54 H TYR 54 -10.426 1.173 2.782 398 HA TYR 54 HA TYR 54 -11.434 -1.490 2.770 399 HB2 TYR 54 1HB TYR 54 -9.077 -1.798 3.720 400 HB3 TYR 54 2HB TYR 54 -9.552 -0.782 5.075 401 HD1 TYR 54 HD1 TYR 54 -11.189 -3.638 3.242 402 HD2 TYR 54 HD2 TYR 54 -9.869 -2.118 7.017 403 HE1 TYR 54 HE1 TYR 54 -12.042 -5.652 4.352 404 HE2 TYR 54 HE2 TYR 54 -10.722 -4.139 8.122 405 HH TYR 54 HH TYR 54 -11.599 -6.931 6.441 406 H GLN 55 H GLN 55 -13.399 -1.255 3.497 407 HA GLN 55 HA GLN 55 -15.335 -0.327 4.271 408 HB2 GLN 55 1HB GLN 55 -13.800 -0.346 6.895 409 HB3 GLN 55 2HB GLN 55 -15.543 -0.520 6.682 410 HG2 GLN 55 1HG GLN 55 -15.102 -2.669 5.447 411 HG3 GLN 55 2HG GLN 55 -13.396 -2.506 5.859 412 HE21 GLN 55 2HE2 GLN 55 -12.792 -2.614 8.094 413 HE22 GLN 55 1HE2 GLN 55 -13.790 -3.444 9.229 414 H LYS 56 H LYS 56 -14.778 1.739 3.042 415 HA LYS 56 HA LYS 56 -14.915 3.955 2.762 416 HB2 LYS 56 1HB LYS 56 -16.171 3.844 5.529 417 HB3 LYS 56 2HB LYS 56 -16.188 5.276 4.506 418 HG2 LYS 56 1HG LYS 56 -17.505 2.612 3.824 419 HG3 LYS 56 2HG LYS 56 -18.323 4.025 4.482 420 HD2 LYS 56 1HD LYS 56 -18.826 4.261 2.228 421 HD3 LYS 56 2HD LYS 56 -17.364 5.237 2.323 422 HE2 LYS 56 1HE LYS 56 -16.057 3.269 1.466 423 HE3 LYS 56 2HE LYS 56 -17.567 2.368 1.305 424 HZ1 LYS 56 3HZ LYS 56 -16.836 3.354 -0.767 425 HZ2 LYS 56 1HZ LYS 56 -16.914 4.901 -0.086 426 HZ3 LYS 56 2HZ LYS 56 -18.322 3.985 -0.282 427 H HIS 57 H HIS 57 -12.468 2.892 3.865 428 HA HIS 57 HA HIS 57 -11.245 5.387 4.850 429 HB2 HIS 57 1HB HIS 57 -11.591 4.126 6.894 430 HB3 HIS 57 2HB HIS 57 -11.018 2.638 6.158 431 HD1 HIS 57 HD1 HIS 57 -9.078 2.109 7.616 432 HD2 HIS 57 HD2 HIS 57 -8.968 6.037 6.260 433 HE1 HIS 57 HE1 HIS 57 -6.883 3.030 8.410 434 HE2 HIS 57 HE2 HIS 57 -6.916 5.456 7.722 435 H VAL 58 H VAL 58 -10.073 5.793 2.985 436 HA VAL 58 HA VAL 58 -8.210 3.747 1.972 437 HB VAL 58 HB VAL 58 -8.482 6.666 1.090 438 HG11 VAL 58 1HG1 VAL 58 -6.250 5.722 0.569 439 HG12 VAL 58 2HG1 VAL 58 -7.177 5.971 -0.912 440 HG13 VAL 58 3HG1 VAL 58 -7.010 4.348 -0.239 441 HG21 VAL 58 3HG2 VAL 58 -9.692 5.826 -0.894 442 HG22 VAL 58 1HG2 VAL 58 -10.568 5.459 0.595 443 HG23 VAL 58 2HG2 VAL 58 -9.654 4.192 -0.230 444 H HIS 59 H HIS 59 -6.267 3.528 3.064 445 HA HIS 59 HA HIS 59 -4.997 5.906 4.273 446 HB2 HIS 59 1HB HIS 59 -5.612 4.095 5.898 447 HB3 HIS 59 2HB HIS 59 -4.700 2.933 4.957 448 HD1 HIS 59 HD1 HIS 59 -2.962 2.338 6.662 449 HD2 HIS 59 HD2 HIS 59 -3.253 6.443 6.105 450 HE1 HIS 59 HE1 HIS 59 -1.008 3.322 7.889 451 HE2 HIS 59 HE2 HIS 59 -1.159 5.802 7.483 452 H THR 60 H THR 60 -2.889 6.348 3.636 453 HA THR 60 HA THR 60 -1.721 4.722 1.463 454 HB THR 60 HB THR 60 -0.366 6.856 0.972 455 HG1 THR 60 HG1 THR 60 -2.392 8.071 2.562 456 HG21 THR 60 3HG2 THR 60 -3.379 7.075 0.646 457 HG22 THR 60 1HG2 THR 60 -2.288 6.223 -0.451 458 HG23 THR 60 2HG2 THR 60 -2.173 7.975 -0.274 459 H TYR 61 H TYR 61 0.360 3.963 1.706 460 HA TYR 61 HA TYR 61 1.761 4.366 4.267 461 HB2 TYR 61 1HB TYR 61 1.817 1.906 2.436 462 HB3 TYR 61 2HB TYR 61 2.594 2.060 4.003 463 HD1 TYR 61 HD1 TYR 61 -0.787 1.999 2.385 464 HD2 TYR 61 HD2 TYR 61 1.447 1.275 5.954 465 HE1 TYR 61 HE1 TYR 61 -2.761 0.996 3.415 466 HE2 TYR 61 HE2 TYR 61 -0.544 0.257 6.977 467 HH TYR 61 HH TYR 61 -3.304 -0.543 5.151 468 H ARG 62 H ARG 62 3.381 5.847 3.649 469 HA ARG 62 HA ARG 62 4.767 5.665 1.133 470 HB2 ARG 62 1HB ARG 62 6.520 7.172 2.383 471 HB3 ARG 62 2HB ARG 62 4.934 7.820 1.984 472 HG2 ARG 62 1HG ARG 62 4.209 7.334 4.343 473 HG3 ARG 62 2HG ARG 62 5.878 6.883 4.714 474 HD2 ARG 62 1HD ARG 62 6.664 9.099 4.341 475 HD3 ARG 62 2HD ARG 62 5.181 9.577 3.511 476 HE ARG 62 HE ARG 62 4.836 8.821 6.298 477 HH11 ARG 62 1HH1 ARG 62 5.458 11.501 4.093 478 HH12 ARG 62 2HH1 ARG 62 4.838 12.693 5.187 479 HH21 ARG 62 1HH2 ARG 62 4.040 10.419 7.718 480 HH22 ARG 62 2HH2 ARG 62 4.039 12.087 7.231 481 H ILE 63 H ILE 63 7.423 5.114 1.223 482 HA ILE 63 HA ILE 63 7.786 2.646 2.467 483 HB ILE 63 HB ILE 63 6.988 2.523 -0.501 484 HG12 ILE 63 1HG1 ILE 63 5.691 1.020 1.829 485 HG13 ILE 63 2HG1 ILE 63 5.014 2.451 1.062 486 HG21 ILE 63 1HG2 ILE 63 8.966 1.144 -0.085 487 HG22 ILE 63 2HG2 ILE 63 7.574 0.118 -0.422 488 HG23 ILE 63 3HG2 ILE 63 8.145 0.310 1.239 489 HD11 ILE 63 3HD1 ILE 63 3.942 0.417 0.288 490 HD12 ILE 63 1HD1 ILE 63 5.481 -0.206 -0.297 491 HD13 ILE 63 2HD1 ILE 63 4.766 1.232 -1.039 492 H LEU 64 H LEU 64 10.027 2.988 2.636 493 HA LEU 64 HA LEU 64 11.129 5.060 0.826 494 HB2 LEU 64 1HB LEU 64 11.745 4.485 3.759 495 HB3 LEU 64 2HB LEU 64 12.631 5.637 2.777 496 HG LEU 64 HG LEU 64 10.439 6.936 2.513 497 HD11 LEU 64 1HD1 LEU 64 8.663 6.585 4.171 498 HD12 LEU 64 2HD1 LEU 64 9.475 5.131 4.756 499 HD13 LEU 64 3HD1 LEU 64 8.830 5.185 3.114 500 HD21 LEU 64 3HD2 LEU 64 11.569 6.654 5.319 501 HD22 LEU 64 1HD2 LEU 64 10.635 8.024 4.713 502 HD23 LEU 64 2HD2 LEU 64 12.220 7.673 4.032 503 HA PRO 65 HA PRO 65 14.387 1.843 -0.053 504 HB2 PRO 65 1HB PRO 65 14.986 2.891 -2.540 505 HB3 PRO 65 2HB PRO 65 13.803 1.600 -2.279 506 HG2 PRO 65 1HG PRO 65 13.343 4.556 -2.641 507 HG3 PRO 65 2HG PRO 65 12.435 3.191 -3.325 508 HD2 PRO 65 1HD PRO 65 11.541 4.589 -1.169 509 HD3 PRO 65 2HD PRO 65 11.221 2.849 -1.354 510 H ASP 66 H ASP 66 15.909 2.632 1.412 511 HA ASP 66 HA ASP 66 17.274 5.088 1.216 512 HB2 ASP 66 1HB ASP 66 15.015 6.002 1.729 513 HB3 ASP 66 2HB ASP 66 14.877 4.944 3.127 514 H GLY 67 H GLY 67 18.646 5.377 3.218 515 HA2 GLY 67 1HA GLY 67 19.468 4.831 5.333 516 HA3 GLY 67 2HA GLY 67 18.509 3.363 5.332 517 H GLU 68 H GLU 68 19.240 1.799 3.466 518 HA GLU 68 HA GLU 68 22.141 1.597 3.145 519 HB2 GLU 68 1HB GLU 68 20.434 -0.513 4.557 520 HB3 GLU 68 2HB GLU 68 22.029 -0.854 3.897 521 HG2 GLU 68 1HG GLU 68 21.478 1.184 6.078 522 HG3 GLU 68 2HG GLU 68 21.953 -0.489 6.379 523 H ASP 69 H ASP 69 19.778 2.148 1.498 524 HA ASP 69 HA ASP 69 18.592 1.626 -0.302 525 HB2 ASP 69 1HB ASP 69 20.968 1.271 -1.229 526 HB3 ASP 69 2HB ASP 69 20.720 -0.455 -0.992 527 H PHE 70 H PHE 70 17.436 0.654 1.769 528 HA PHE 70 HA PHE 70 16.207 -1.875 0.805 529 HB2 PHE 70 1HB PHE 70 15.574 -2.355 3.198 530 HB3 PHE 70 2HB PHE 70 17.309 -2.379 2.939 531 HD1 PHE 70 HD1 PHE 70 14.548 -0.203 4.280 532 HD2 PHE 70 HD2 PHE 70 18.733 -1.052 4.299 533 HE1 PHE 70 HE1 PHE 70 14.861 1.361 6.151 534 HE2 PHE 70 HE2 PHE 70 19.032 0.519 6.169 535 HZ PHE 70 HZ PHE 70 17.101 1.725 7.093 536 H LEU 71 H LEU 71 13.857 -1.886 0.990 537 HA LEU 71 HA LEU 71 12.691 0.834 1.138 538 HB2 LEU 71 1HB LEU 71 10.609 -0.283 0.153 539 HB3 LEU 71 2HB LEU 71 11.986 -0.051 -0.901 540 HG LEU 71 HG LEU 71 11.675 -2.744 0.442 541 HD11 LEU 71 1HD1 LEU 71 10.230 -3.561 -1.362 542 HD12 LEU 71 2HD1 LEU 71 10.083 -1.921 -2.001 543 HD13 LEU 71 3HD1 LEU 71 9.426 -2.313 -0.410 544 HD21 LEU 71 3HD2 LEU 71 13.694 -2.282 -0.892 545 HD22 LEU 71 1HD2 LEU 71 12.694 -1.921 -2.302 546 HD23 LEU 71 2HD2 LEU 71 12.722 -3.552 -1.628 547 H ALA 72 H ALA 72 12.017 1.366 3.076 548 HA ALA 72 HA ALA 72 11.166 -0.654 5.032 549 HB1 ALA 72 3HB ALA 72 11.558 1.102 6.720 550 HB2 ALA 72 1HB ALA 72 11.939 2.261 5.439 551 HB3 ALA 72 2HB ALA 72 12.980 0.863 5.706 552 H VAL 73 H VAL 73 9.112 -0.872 5.556 553 HA VAL 73 HA VAL 73 7.121 1.182 4.798 554 HB VAL 73 HB VAL 73 6.635 -1.681 5.729 555 HG11 VAL 73 1HG1 VAL 73 4.659 0.375 4.626 556 HG12 VAL 73 2HG1 VAL 73 4.727 -0.203 6.292 557 HG13 VAL 73 3HG1 VAL 73 4.282 -1.310 4.995 558 HG21 VAL 73 3HG2 VAL 73 7.726 -1.628 3.521 559 HG22 VAL 73 1HG2 VAL 73 6.492 -0.512 2.922 560 HG23 VAL 73 2HG2 VAL 73 6.049 -2.159 3.378 561 H GLN 74 H GLN 74 6.092 2.280 6.302 562 HA GLN 74 HA GLN 74 7.060 2.095 9.086 563 HB2 GLN 74 1HB GLN 74 7.417 4.263 7.938 564 HB3 GLN 74 2HB GLN 74 5.682 4.407 7.651 565 HG2 GLN 74 1HG GLN 74 5.299 4.481 10.094 566 HG3 GLN 74 2HG GLN 74 7.037 4.363 10.372 567 HE21 GLN 74 2HE2 GLN 74 8.349 6.161 9.926 568 HE22 GLN 74 1HE2 GLN 74 7.681 7.738 9.708 569 H THR 75 H THR 75 5.770 0.465 9.815 570 HA THR 75 HA THR 75 2.953 0.274 9.429 571 HB THR 75 HB THR 75 3.152 -1.534 11.166 572 HG1 THR 75 HG1 THR 75 5.211 -1.936 12.053 573 HG21 THR 75 3HG2 THR 75 5.331 -1.677 9.033 574 HG22 THR 75 1HG2 THR 75 3.630 -2.095 8.784 575 HG23 THR 75 2HG2 THR 75 4.622 -3.048 9.888 576 H SER 76 H SER 76 5.093 1.523 11.922 577 HA SER 76 HA SER 76 4.932 3.176 13.410 578 HB2 SER 76 1HB SER 76 2.040 3.536 12.537 579 HB3 SER 76 2HB SER 76 2.960 4.672 13.531 580 HG SER 76 HG SER 76 3.409 3.933 10.829 581 H GLN 77 H GLN 77 3.862 3.820 15.494 582 HA GLN 77 HA GLN 77 3.167 3.387 17.577 583 HB2 GLN 77 1HB GLN 77 1.411 1.349 16.135 584 HB3 GLN 77 2HB GLN 77 1.339 1.552 17.881 585 HG2 GLN 77 1HG GLN 77 0.818 3.771 15.889 586 HG3 GLN 77 2HG GLN 77 -0.444 2.773 16.618 587 HE21 GLN 77 2HE2 GLN 77 -0.904 3.025 18.870 588 HE22 GLN 77 1HE2 GLN 77 -0.379 4.433 19.731 589 H GLY 78 H GLY 78 2.674 1.136 18.968 590 HA2 GLY 78 1HA GLY 78 4.977 -0.158 19.746 591 HA3 GLY 78 2HA GLY 78 3.386 -0.888 19.879 592 H VAL 79 H VAL 79 3.094 -0.862 16.903 593 HA VAL 79 HA VAL 79 4.210 -3.403 16.239 594 HB VAL 79 HB VAL 79 2.995 -1.351 14.328 595 HG11 VAL 79 1HG1 VAL 79 3.409 -4.353 13.991 596 HG12 VAL 79 2HG1 VAL 79 4.296 -3.073 13.151 597 HG13 VAL 79 3HG1 VAL 79 2.574 -3.295 12.847 598 HG21 VAL 79 3HG2 VAL 79 1.604 -3.621 15.802 599 HG22 VAL 79 1HG2 VAL 79 0.868 -2.607 14.554 600 HG23 VAL 79 2HG2 VAL 79 1.374 -1.893 16.086 601 HA PRO 80 HA PRO 80 8.287 -1.678 15.133 602 HB2 PRO 80 1HB PRO 80 8.820 -4.406 14.024 603 HB3 PRO 80 2HB PRO 80 9.696 -3.516 15.277 604 HG2 PRO 80 1HG PRO 80 8.154 -5.609 15.917 605 HG3 PRO 80 2HG PRO 80 8.200 -4.173 16.963 606 HD2 PRO 80 1HD PRO 80 6.121 -4.941 14.898 607 HD3 PRO 80 2HD PRO 80 5.886 -4.369 16.569 608 H VAL 81 H VAL 81 9.231 -0.824 13.314 609 HA VAL 81 HA VAL 81 7.777 -0.834 10.803 610 HB VAL 81 HB VAL 81 10.242 0.663 11.833 611 HG11 VAL 81 1HG1 VAL 81 9.047 0.923 9.039 612 HG12 VAL 81 2HG1 VAL 81 10.642 0.271 9.418 613 HG13 VAL 81 3HG1 VAL 81 10.292 1.974 9.722 614 HG21 VAL 81 3HG2 VAL 81 8.060 1.438 12.685 615 HG22 VAL 81 1HG2 VAL 81 7.462 1.621 11.033 616 HG23 VAL 81 2HG2 VAL 81 8.768 2.654 11.618 617 H ARG 82 H ARG 82 8.229 -2.258 9.187 618 HA ARG 82 HA ARG 82 10.685 -3.898 9.434 619 HB2 ARG 82 1HB ARG 82 8.472 -5.089 9.700 620 HB3 ARG 82 2HB ARG 82 8.108 -4.679 8.025 621 HG2 ARG 82 1HG ARG 82 10.051 -5.979 7.259 622 HG3 ARG 82 2HG ARG 82 10.486 -6.345 8.930 623 HD2 ARG 82 1HD ARG 82 7.991 -7.248 7.465 624 HD3 ARG 82 2HD ARG 82 9.372 -8.254 7.903 625 HE ARG 82 HE ARG 82 7.779 -6.933 10.005 626 HH11 ARG 82 1HH1 ARG 82 8.916 -9.937 8.583 627 HH12 ARG 82 2HH1 ARG 82 8.195 -10.917 9.815 628 HH21 ARG 82 1HH2 ARG 82 6.847 -8.223 11.579 629 HH22 ARG 82 2HH2 ARG 82 7.031 -9.947 11.512 630 H ARG 83 H ARG 83 12.143 -3.791 7.887 631 HA ARG 83 HA ARG 83 11.625 -2.343 5.376 632 HB2 ARG 83 1HB ARG 83 14.132 -2.302 5.228 633 HB3 ARG 83 2HB ARG 83 13.497 -1.516 6.671 634 HG2 ARG 83 1HG ARG 83 14.025 -3.587 7.980 635 HG3 ARG 83 2HG ARG 83 14.763 -4.278 6.535 636 HD2 ARG 83 1HD ARG 83 16.415 -2.427 6.520 637 HD3 ARG 83 2HD ARG 83 15.669 -1.761 7.976 638 HE ARG 83 HE ARG 83 16.566 -4.512 8.202 639 HH11 ARG 83 1HH1 ARG 83 17.448 -1.142 8.735 640 HH12 ARG 83 2HH1 ARG 83 18.709 -1.534 9.857 641 HH21 ARG 83 1HH2 ARG 83 18.217 -5.003 9.639 642 HH22 ARG 83 2HH2 ARG 83 19.159 -3.737 10.354 643 H PHE 84 H PHE 84 12.406 -3.251 3.358 644 HA PHE 84 HA PHE 84 12.526 -6.201 3.272 645 HB2 PHE 84 1HB PHE 84 10.853 -4.384 1.476 646 HB3 PHE 84 2HB PHE 84 11.031 -6.126 1.268 647 HD1 PHE 84 HD1 PHE 84 10.197 -7.669 3.092 648 HD2 PHE 84 HD2 PHE 84 9.210 -3.508 3.002 649 HE1 PHE 84 HE1 PHE 84 8.338 -8.072 4.625 650 HE2 PHE 84 HE2 PHE 84 7.340 -3.935 4.543 651 HZ PHE 84 HZ PHE 84 6.909 -6.216 5.354 652 H GLN 85 H GLN 85 13.588 -7.100 1.531 653 HA GLN 85 HA GLN 85 15.721 -5.684 0.273 654 HB2 GLN 85 1HB GLN 85 15.862 -8.091 0.808 655 HB3 GLN 85 2HB GLN 85 14.516 -8.431 -0.272 656 HG2 GLN 85 1HG GLN 85 15.900 -7.704 -2.203 657 HG3 GLN 85 2HG GLN 85 17.260 -7.430 -1.122 658 HE21 GLN 85 2HE2 GLN 85 18.326 -9.244 -0.215 659 HE22 GLN 85 1HE2 GLN 85 18.144 -10.821 -0.889 660 H THR 86 H THR 86 12.602 -6.975 -0.875 661 HA THR 86 HA THR 86 12.534 -5.083 -3.130 662 HB THR 86 HB THR 86 13.631 -7.173 -3.983 663 HG1 THR 86 HG1 THR 86 12.403 -5.885 -5.396 664 HG21 THR 86 3HG2 THR 86 12.492 -8.874 -2.590 665 HG22 THR 86 1HG2 THR 86 12.302 -9.233 -4.312 666 HG23 THR 86 2HG2 THR 86 10.964 -8.530 -3.404 667 H LEU 87 H LEU 87 10.325 -5.061 -4.220 668 HA LEU 87 HA LEU 87 8.179 -4.876 -2.450 669 HB2 LEU 87 1HB LEU 87 8.195 -5.161 -5.482 670 HB3 LEU 87 2HB LEU 87 6.736 -4.826 -4.560 671 HG LEU 87 HG LEU 87 9.175 -2.993 -4.589 672 HD11 LEU 87 1HD1 LEU 87 8.200 -3.072 -6.835 673 HD12 LEU 87 2HD1 LEU 87 7.909 -1.508 -6.075 674 HD13 LEU 87 3HD1 LEU 87 6.604 -2.696 -6.179 675 HD21 LEU 87 3HD2 LEU 87 7.673 -1.321 -3.577 676 HD22 LEU 87 1HD2 LEU 87 7.803 -2.753 -2.558 677 HD23 LEU 87 2HD2 LEU 87 6.356 -2.501 -3.542 678 H GLY 88 H GLY 88 9.205 -7.613 -4.508 679 HA2 GLY 88 1HA GLY 88 7.148 -9.429 -4.194 680 HA3 GLY 88 2HA GLY 88 8.849 -9.887 -4.222 681 H GLU 89 H GLU 89 9.731 -8.737 -1.852 682 HA GLU 89 HA GLU 89 8.938 -10.519 0.212 683 HB2 GLU 89 1HB GLU 89 10.486 -7.900 0.254 684 HB3 GLU 89 2HB GLU 89 10.331 -8.947 1.660 685 HG2 GLU 89 1HG GLU 89 11.607 -9.783 -0.970 686 HG3 GLU 89 2HG GLU 89 12.499 -9.154 0.415 687 H LEU 90 H LEU 90 8.033 -7.174 -0.579 688 HA LEU 90 HA LEU 90 6.771 -6.497 1.869 689 HB2 LEU 90 1HB LEU 90 7.833 -4.939 0.196 690 HB3 LEU 90 2HB LEU 90 6.502 -5.242 -0.901 691 HG LEU 90 HG LEU 90 6.073 -3.976 1.845 692 HD11 LEU 90 1HD1 LEU 90 6.139 -1.776 0.752 693 HD12 LEU 90 2HD1 LEU 90 6.611 -2.533 -0.772 694 HD13 LEU 90 3HD1 LEU 90 7.693 -2.601 0.622 695 HD21 LEU 90 3HD2 LEU 90 4.006 -4.791 0.769 696 HD22 LEU 90 1HD2 LEU 90 4.383 -3.870 -0.691 697 HD23 LEU 90 2HD2 LEU 90 4.022 -3.031 0.822 698 H ILE 91 H ILE 91 5.630 -8.050 -1.109 699 HA ILE 91 HA ILE 91 2.841 -7.230 -0.641 700 HB ILE 91 HB ILE 91 4.127 -8.660 -3.015 701 HG12 ILE 91 1HG1 ILE 91 4.777 -6.261 -2.873 702 HG13 ILE 91 2HG1 ILE 91 3.771 -6.570 -4.279 703 HG21 ILE 91 1HG2 ILE 91 1.973 -8.331 -4.213 704 HG22 ILE 91 2HG2 ILE 91 1.247 -7.729 -2.720 705 HG23 ILE 91 3HG2 ILE 91 1.806 -9.400 -2.817 706 HD11 ILE 91 3HD1 ILE 91 3.185 -4.473 -3.252 707 HD12 ILE 91 1HD1 ILE 91 2.877 -5.265 -1.705 708 HD13 ILE 91 2HD1 ILE 91 1.845 -5.605 -3.098 709 H GLY 92 H GLY 92 4.951 -10.069 -0.929 710 HA2 GLY 92 1HA GLY 92 2.944 -12.068 -0.606 711 HA3 GLY 92 2HA GLY 92 4.681 -12.288 -0.464 712 H LEU 93 H LEU 93 5.130 -10.387 1.668 713 HA LEU 93 HA LEU 93 4.312 -11.968 3.929 714 HB2 LEU 93 1HB LEU 93 6.531 -10.906 3.848 715 HB3 LEU 93 2HB LEU 93 5.786 -9.315 3.832 716 HG LEU 93 HG LEU 93 4.984 -9.594 6.130 717 HD11 LEU 93 1HD1 LEU 93 4.431 -11.967 6.142 718 HD12 LEU 93 2HD1 LEU 93 5.507 -11.585 7.483 719 HD13 LEU 93 3HD1 LEU 93 6.142 -12.399 6.050 720 HD21 LEU 93 3HD2 LEU 93 7.113 -9.717 7.334 721 HD22 LEU 93 1HD2 LEU 93 7.273 -8.773 5.857 722 HD23 LEU 93 2HD2 LEU 93 7.892 -10.424 5.918 723 H TYR 94 H TYR 94 3.359 -8.732 2.630 724 HA TYR 94 HA TYR 94 1.538 -8.289 4.851 725 HB2 TYR 94 1HB TYR 94 2.121 -6.680 2.353 726 HB3 TYR 94 2HB TYR 94 0.866 -6.224 3.499 727 HD1 TYR 94 HD1 TYR 94 3.197 -7.509 5.689 728 HD2 TYR 94 HD2 TYR 94 2.781 -4.223 2.981 729 HE1 TYR 94 HE1 TYR 94 4.808 -6.214 7.010 730 HE2 TYR 94 HE2 TYR 94 4.399 -2.949 4.303 731 HH TYR 94 HH TYR 94 6.394 -4.295 6.607 732 H ALA 95 H ALA 95 1.323 -10.251 2.157 733 HA ALA 95 HA ALA 95 -1.439 -10.268 1.643 734 HB1 ALA 95 3HB ALA 95 0.493 -12.609 1.803 735 HB2 ALA 95 1HB ALA 95 0.242 -11.577 0.393 736 HB3 ALA 95 2HB ALA 95 -1.068 -12.608 0.974 737 H GLN 96 H GLN 96 0.023 -10.641 4.624 738 HA GLN 96 HA GLN 96 -2.419 -11.821 5.778 739 HB2 GLN 96 1HB GLN 96 -1.179 -12.876 7.582 740 HB3 GLN 96 2HB GLN 96 -0.548 -13.456 6.048 741 HG2 GLN 96 1HG GLN 96 1.402 -11.985 6.266 742 HG3 GLN 96 2HG GLN 96 0.756 -11.341 7.778 743 HE21 GLN 96 2HE2 GLN 96 2.151 -14.157 6.226 744 HE22 GLN 96 1HE2 GLN 96 2.593 -14.974 7.684 745 HA PRO 97 HA PRO 97 -2.368 -7.864 7.936 746 HB2 PRO 97 1HB PRO 97 -4.507 -8.194 9.525 747 HB3 PRO 97 2HB PRO 97 -4.698 -8.258 7.765 748 HG2 PRO 97 1HG PRO 97 -4.493 -10.542 9.735 749 HG3 PRO 97 2HG PRO 97 -5.646 -10.319 8.402 750 HD2 PRO 97 1HD PRO 97 -3.346 -11.849 8.204 751 HD3 PRO 97 2HD PRO 97 -4.159 -11.094 6.815 752 H ASN 98 H ASN 98 -3.225 -7.610 10.618 753 HA ASN 98 HA ASN 98 -2.489 -7.424 12.758 754 HB2 ASN 98 1HB ASN 98 -3.033 -9.862 12.787 755 HB3 ASN 98 2HB ASN 98 -1.398 -10.240 12.290 756 HD21 ASN 98 2HD2 ASN 98 0.257 -10.165 13.821 757 HD22 ASN 98 1HD2 ASN 98 -0.051 -10.026 15.516 758 H GLN 99 H GLN 99 -1.080 -5.875 11.301 759 HA GLN 99 HA GLN 99 1.431 -5.614 12.588 760 HB2 GLN 99 1HB GLN 99 2.017 -7.437 10.903 761 HB3 GLN 99 2HB GLN 99 1.687 -6.291 9.611 762 HG2 GLN 99 1HG GLN 99 3.535 -4.888 10.285 763 HG3 GLN 99 2HG GLN 99 3.774 -5.818 11.759 764 HE21 GLN 99 2HE2 GLN 99 3.215 -7.371 8.634 765 HE22 GLN 99 1HE2 GLN 99 4.820 -7.976 8.461 766 H GLY 100 H GLY 100 -1.054 -4.049 11.859 767 HA2 GLY 100 1HA GLY 100 -1.181 -1.703 12.007 768 HA3 GLY 100 2HA GLY 100 0.436 -1.562 11.335 769 H LEU 101 H LEU 101 -0.644 -3.655 9.261 770 HA LEU 101 HA LEU 101 -1.686 -1.963 7.229 771 HB2 LEU 101 1HB LEU 101 -1.607 -5.006 7.522 772 HB3 LEU 101 2HB LEU 101 -2.305 -4.226 6.122 773 HG LEU 101 HG LEU 101 -0.071 -5.048 5.609 774 HD11 LEU 101 1HD1 LEU 101 -0.139 -2.024 5.682 775 HD12 LEU 101 2HD1 LEU 101 -0.804 -3.070 4.424 776 HD13 LEU 101 3HD1 LEU 101 0.935 -3.014 4.689 777 HD21 LEU 101 3HD2 LEU 101 0.987 -3.233 7.798 778 HD22 LEU 101 1HD2 LEU 101 1.953 -4.199 6.677 779 HD23 LEU 101 2HD2 LEU 101 0.913 -4.995 7.852 780 H VAL 102 H VAL 102 -3.773 -1.359 6.899 781 HA VAL 102 HA VAL 102 -5.857 -1.729 8.709 782 HB VAL 102 HB VAL 102 -5.611 0.168 7.096 783 HG11 VAL 102 1HG1 VAL 102 -6.368 -0.053 4.748 784 HG12 VAL 102 2HG1 VAL 102 -6.563 -1.790 4.972 785 HG13 VAL 102 3HG1 VAL 102 -4.958 -1.065 5.074 786 HG21 VAL 102 3HG2 VAL 102 -8.016 0.462 6.600 787 HG22 VAL 102 1HG2 VAL 102 -7.747 -0.156 8.230 788 HG23 VAL 102 2HG2 VAL 102 -8.291 -1.243 6.954 789 H CYS 103 H CYS 103 -4.939 -3.503 5.846 790 HA CYS 103 HA CYS 103 -6.463 -5.824 6.583 791 HB2 CYS 103 1HB CYS 103 -7.701 -6.010 4.435 792 HB3 CYS 103 2HB CYS 103 -8.193 -4.564 5.314 793 HG CYS 103 HG CYS 103 -5.925 -4.515 2.753 794 H ALA 104 H ALA 104 -5.919 -7.649 5.074 795 HA ALA 104 HA ALA 104 -3.155 -7.705 4.338 796 HB1 ALA 104 3HB ALA 104 -4.344 -9.694 5.142 797 HB2 ALA 104 1HB ALA 104 -3.668 -9.984 3.537 798 HB3 ALA 104 2HB ALA 104 -5.395 -9.662 3.726 799 H LEU 105 H LEU 105 -2.261 -7.838 2.230 800 HA LEU 105 HA LEU 105 -3.572 -6.370 0.152 801 HB2 LEU 105 1HB LEU 105 -0.990 -7.985 0.058 802 HB3 LEU 105 2HB LEU 105 -1.533 -6.843 -1.167 803 HG LEU 105 HG LEU 105 -0.679 -6.192 1.681 804 HD11 LEU 105 1HD1 LEU 105 0.603 -5.434 -0.954 805 HD12 LEU 105 2HD1 LEU 105 1.182 -6.651 0.186 806 HD13 LEU 105 3HD1 LEU 105 1.151 -4.956 0.657 807 HD21 LEU 105 3HD2 LEU 105 -1.739 -4.251 -0.405 808 HD22 LEU 105 1HD2 LEU 105 -1.036 -3.813 1.156 809 HD23 LEU 105 2HD2 LEU 105 -2.542 -4.723 1.095 810 H LEU 106 H LEU 106 -5.334 -7.339 -0.620 811 HA LEU 106 HA LEU 106 -5.305 -10.212 -1.361 812 HB2 LEU 106 1HB LEU 106 -6.617 -9.786 0.678 813 HB3 LEU 106 2HB LEU 106 -7.542 -8.543 -0.147 814 HG LEU 106 HG LEU 106 -8.582 -10.257 -1.603 815 HD11 LEU 106 1HD1 LEU 106 -8.275 -12.657 -1.178 816 HD12 LEU 106 2HD1 LEU 106 -7.003 -12.296 -0.010 817 HD13 LEU 106 3HD1 LEU 106 -6.778 -11.898 -1.717 818 HD21 LEU 106 3HD2 LEU 106 -10.007 -11.316 0.078 819 HD22 LEU 106 1HD2 LEU 106 -9.688 -9.632 0.502 820 HD23 LEU 106 2HD2 LEU 106 -8.836 -10.931 1.342 821 H LEU 107 H LEU 107 -7.156 -7.195 -1.955 822 HA LEU 107 HA LEU 107 -7.923 -8.199 -4.623 823 HB2 LEU 107 1HB LEU 107 -9.726 -7.566 -2.999 824 HB3 LEU 107 2HB LEU 107 -9.100 -5.926 -2.977 825 HG LEU 107 HG LEU 107 -9.644 -5.701 -5.413 826 HD11 LEU 107 1HD1 LEU 107 -11.096 -7.343 -6.520 827 HD12 LEU 107 2HD1 LEU 107 -10.959 -8.423 -5.129 828 HD13 LEU 107 3HD1 LEU 107 -9.534 -8.044 -6.101 829 HD21 LEU 107 3HD2 LEU 107 -12.070 -5.490 -5.141 830 HD22 LEU 107 1HD2 LEU 107 -11.217 -4.887 -3.721 831 HD23 LEU 107 2HD2 LEU 107 -12.007 -6.465 -3.671 832 HA PRO 108 HA PRO 108 -5.009 -5.072 -6.371 833 HB2 PRO 108 1HB PRO 108 -5.945 -5.326 -8.998 834 HB3 PRO 108 2HB PRO 108 -4.693 -6.350 -8.284 835 HG2 PRO 108 1HG PRO 108 -7.641 -6.889 -8.589 836 HG3 PRO 108 2HG PRO 108 -6.273 -7.987 -8.861 837 HD2 PRO 108 1HD PRO 108 -7.743 -8.139 -6.616 838 HD3 PRO 108 2HD PRO 108 -5.979 -8.396 -6.562 839 H VAL 109 H VAL 109 -8.430 -5.264 -7.338 840 HA VAL 109 HA VAL 109 -9.131 -2.767 -6.353 841 HB VAL 109 HB VAL 109 -7.731 -2.254 -8.643 842 HG11 VAL 109 1HG1 VAL 109 -10.556 -2.388 -9.724 843 HG12 VAL 109 2HG1 VAL 109 -9.226 -3.454 -10.173 844 HG13 VAL 109 3HG1 VAL 109 -9.141 -1.735 -10.556 845 HG21 VAL 109 3HG2 VAL 109 -8.474 -0.569 -7.071 846 HG22 VAL 109 1HG2 VAL 109 -10.120 -0.638 -7.716 847 HG23 VAL 109 2HG2 VAL 109 -8.799 -0.043 -8.724 Start of MODEL 16 1 H1 MET 1 1H MET 1 -12.758 10.208 -41.410 2 H2 MET 1 2H MET 1 -13.462 9.045 -40.407 3 H3 MET 1 3H MET 1 -12.178 9.983 -39.835 4 HA MET 1 HA MET 1 -13.517 11.967 -39.962 5 HB2 MET 1 1HB MET 1 -14.971 11.252 -41.842 6 HB3 MET 1 2HB MET 1 -15.725 10.045 -40.814 7 HG2 MET 1 1HG MET 1 -16.625 11.855 -39.381 8 HG3 MET 1 2HG MET 1 -15.923 13.045 -40.481 9 HE1 MET 1 3HE MET 1 -18.361 14.190 -40.824 10 HE2 MET 1 1HE MET 1 -19.048 13.014 -39.701 11 HE3 MET 1 2HE MET 1 -19.791 13.264 -41.281 12 H GLY 2 H GLY 2 -13.091 12.082 -37.812 13 HA2 GLY 2 1HA GLY 2 -13.583 12.096 -35.567 14 HA3 GLY 2 2HA GLY 2 -15.025 11.144 -35.883 15 H HIS 3 H HIS 3 -12.103 11.077 -34.306 16 HA HIS 3 HA HIS 3 -12.185 8.130 -34.080 17 HB2 HIS 3 1HB HIS 3 -9.815 7.857 -34.300 18 HB3 HIS 3 2HB HIS 3 -10.297 8.852 -35.666 19 HD1 HIS 3 HD1 HIS 3 -8.269 8.912 -32.525 20 HD2 HIS 3 HD2 HIS 3 -9.278 11.522 -35.597 21 HE1 HIS 3 HE1 HIS 3 -6.786 10.910 -32.227 22 HE2 HIS 3 HE2 HIS 3 -7.549 12.544 -33.974 23 H HIS 4 H HIS 4 -11.426 7.339 -32.029 24 HA HIS 4 HA HIS 4 -11.224 9.371 -29.874 25 HB2 HIS 4 1HB HIS 4 -12.092 6.455 -29.648 26 HB3 HIS 4 2HB HIS 4 -12.055 7.626 -28.335 27 HD1 HIS 4 HD1 HIS 4 -14.450 6.022 -30.259 28 HD2 HIS 4 HD2 HIS 4 -13.825 10.022 -29.323 29 HE1 HIS 4 HE1 HIS 4 -16.656 7.149 -30.626 30 HE2 HIS 4 HE2 HIS 4 -16.262 9.561 -30.048 31 H HIS 5 H HIS 5 -10.281 5.937 -30.088 32 HA HIS 5 HA HIS 5 -8.435 4.766 -29.667 33 HB2 HIS 5 1HB HIS 5 -7.564 5.927 -31.651 34 HB3 HIS 5 2HB HIS 5 -6.964 7.247 -30.655 35 HD1 HIS 5 HD1 HIS 5 -4.776 6.889 -29.409 36 HD2 HIS 5 HD2 HIS 5 -6.016 3.534 -31.526 37 HE1 HIS 5 HE1 HIS 5 -2.829 5.313 -29.366 38 HE2 HIS 5 HE2 HIS 5 -3.609 3.267 -30.608 39 H HIS 6 H HIS 6 -8.686 4.510 -27.469 40 HA HIS 6 HA HIS 6 -6.996 6.176 -25.693 41 HB2 HIS 6 1HB HIS 6 -9.322 6.120 -24.937 42 HB3 HIS 6 2HB HIS 6 -9.377 4.367 -25.072 43 HD1 HIS 6 HD1 HIS 6 -9.046 3.152 -22.947 44 HD2 HIS 6 HD2 HIS 6 -7.374 6.955 -22.798 45 HE1 HIS 6 HE1 HIS 6 -8.199 3.418 -20.601 46 HE2 HIS 6 HE2 HIS 6 -7.085 5.671 -20.562 47 H HIS 7 H HIS 7 -8.115 2.779 -25.640 48 HA HIS 7 HA HIS 7 -7.197 0.893 -24.864 49 HB2 HIS 7 1HB HIS 7 -6.195 1.135 -27.225 50 HB3 HIS 7 2HB HIS 7 -4.701 1.654 -26.448 51 HD1 HIS 7 HD1 HIS 7 -3.158 -0.199 -25.607 52 HD2 HIS 7 HD2 HIS 7 -6.942 -1.603 -26.603 53 HE1 HIS 7 HE1 HIS 7 -3.010 -2.698 -25.458 54 HE2 HIS 7 HE2 HIS 7 -5.286 -3.533 -26.139 55 H HIS 8 H HIS 8 -3.830 1.458 -24.721 56 HA HIS 8 HA HIS 8 -2.369 1.475 -22.996 57 HB2 HIS 8 1HB HIS 8 -4.051 3.938 -22.387 58 HB3 HIS 8 2HB HIS 8 -2.568 3.565 -21.511 59 HD1 HIS 8 HD1 HIS 8 -0.319 3.568 -22.964 60 HD2 HIS 8 HD2 HIS 8 -3.655 5.184 -24.828 61 HE1 HIS 8 HE1 HIS 8 0.575 4.917 -24.894 62 HE2 HIS 8 HE2 HIS 8 -1.462 5.940 -25.953 63 H SER 9 H SER 9 -2.377 2.120 -20.331 64 HA SER 9 HA SER 9 -3.013 1.718 -18.235 65 HB2 SER 9 1HB SER 9 -5.267 2.547 -18.908 66 HB3 SER 9 2HB SER 9 -5.748 0.899 -19.317 67 HG SER 9 HG SER 9 -5.682 0.358 -17.202 68 H HIS 10 H HIS 10 -3.356 0.003 -16.673 69 HA HIS 10 HA HIS 10 -3.520 -2.762 -17.523 70 HB2 HIS 10 1HB HIS 10 -1.115 -2.107 -18.017 71 HB3 HIS 10 2HB HIS 10 -0.906 -1.744 -16.307 72 HD1 HIS 10 HD1 HIS 10 0.744 -3.537 -15.695 73 HD2 HIS 10 HD2 HIS 10 -2.558 -5.073 -17.705 74 HE1 HIS 10 HE1 HIS 10 1.012 -6.030 -15.625 75 HE2 HIS 10 HE2 HIS 10 -1.017 -6.951 -16.809 76 H MET 11 H MET 11 -2.304 -0.672 -14.886 77 HA MET 11 HA MET 11 -2.869 -0.353 -12.722 78 HB2 MET 11 1HB MET 11 -5.614 -1.118 -13.791 79 HB3 MET 11 2HB MET 11 -5.346 -0.354 -12.228 80 HG2 MET 11 1HG MET 11 -4.447 1.639 -13.343 81 HG3 MET 11 2HG MET 11 -4.667 0.873 -14.921 82 HE1 MET 11 3HE MET 11 -5.833 3.765 -14.162 83 HE2 MET 11 1HE MET 11 -7.428 3.653 -14.905 84 HE3 MET 11 2HE MET 11 -6.018 3.004 -15.745 85 H SER 12 H SER 12 -1.787 -2.918 -13.200 86 HA SER 12 HA SER 12 -3.267 -4.954 -11.735 87 HB2 SER 12 1HB SER 12 -1.953 -5.447 -13.823 88 HB3 SER 12 2HB SER 12 -0.468 -5.043 -12.961 89 HG SER 12 HG SER 12 -0.845 -7.294 -12.971 90 H TRP 13 H TRP 13 -2.954 -3.022 -10.031 91 HA TRP 13 HA TRP 13 -2.612 -2.455 -7.958 92 HB2 TRP 13 1HB TRP 13 -1.521 -3.780 -6.230 93 HB3 TRP 13 2HB TRP 13 -2.613 -4.763 -7.162 94 HD1 TRP 13 HD1 TRP 13 -1.664 -6.993 -8.111 95 HE1 TRP 13 HE1 TRP 13 0.609 -8.176 -8.034 96 HE3 TRP 13 HE3 TRP 13 1.196 -3.196 -6.181 97 HZ2 TRP 13 HZ2 TRP 13 3.253 -7.604 -7.285 98 HZ3 TRP 13 HZ3 TRP 13 3.594 -3.609 -5.813 99 HH2 TRP 13 HH2 TRP 13 4.603 -5.771 -6.350 100 H TYR 14 H TYR 14 0.520 -3.487 -9.366 101 HA TYR 14 HA TYR 14 1.892 -1.185 -8.320 102 HB2 TYR 14 1HB TYR 14 3.166 -3.247 -8.763 103 HB3 TYR 14 2HB TYR 14 2.746 -3.170 -10.474 104 HD1 TYR 14 HD2 TYR 14 4.468 -1.146 -7.798 105 HD2 TYR 14 HD1 TYR 14 4.249 -2.062 -11.972 106 HE1 TYR 14 HE2 TYR 14 6.431 0.264 -8.219 107 HE2 TYR 14 HE1 TYR 14 6.212 -0.636 -12.383 108 HH TYR 14 HH TYR 14 8.216 0.506 -9.888 109 H HIS 15 H HIS 15 1.738 0.837 -9.172 110 HA HIS 15 HA HIS 15 0.911 1.218 -11.971 111 HB2 HIS 15 1HB HIS 15 0.664 3.061 -9.545 112 HB3 HIS 15 2HB HIS 15 0.122 3.463 -11.170 113 HD1 HIS 15 HD1 HIS 15 -2.001 2.125 -12.052 114 HD2 HIS 15 HD2 HIS 15 -1.068 1.520 -8.068 115 HE1 HIS 15 HE1 HIS 15 -4.042 1.096 -11.038 116 HE2 HIS 15 HE2 HIS 15 -3.402 0.614 -8.654 117 H ARG 16 H ARG 16 1.713 3.271 -12.903 118 HA ARG 16 HA ARG 16 4.560 3.742 -12.554 119 HB2 ARG 16 1HB ARG 16 2.501 5.156 -14.312 120 HB3 ARG 16 2HB ARG 16 4.254 5.290 -14.459 121 HG2 ARG 16 1HG ARG 16 4.384 2.900 -15.075 122 HG3 ARG 16 2HG ARG 16 2.628 2.767 -14.918 123 HD2 ARG 16 1HD ARG 16 2.350 4.423 -16.724 124 HD3 ARG 16 2HD ARG 16 4.106 4.541 -16.890 125 HE ARG 16 HE ARG 16 3.324 1.851 -17.166 126 HH11 ARG 16 1HH1 ARG 16 3.140 4.898 -18.904 127 HH12 ARG 16 2HH1 ARG 16 3.041 4.132 -20.456 128 HH21 ARG 16 1HH2 ARG 16 3.207 0.875 -19.200 129 HH22 ARG 16 2HH2 ARG 16 3.083 1.858 -20.619 130 H ASP 17 H ASP 17 4.217 6.731 -13.128 131 HA ASP 17 HA ASP 17 4.177 7.715 -10.484 132 HB2 ASP 17 1HB ASP 17 4.380 9.937 -11.507 133 HB3 ASP 17 2HB ASP 17 5.470 8.792 -12.276 134 H LEU 18 H LEU 18 2.393 7.638 -9.293 135 HA LEU 18 HA LEU 18 -0.154 8.780 -10.264 136 HB2 LEU 18 1HB LEU 18 -0.135 6.221 -10.366 137 HB3 LEU 18 2HB LEU 18 0.074 6.221 -8.631 138 HG LEU 18 HG LEU 18 -2.153 7.434 -8.439 139 HD11 LEU 18 1HD1 LEU 18 -2.388 6.725 -11.383 140 HD12 LEU 18 2HD1 LEU 18 -2.281 8.352 -10.702 141 HD13 LEU 18 3HD1 LEU 18 -3.684 7.343 -10.358 142 HD21 LEU 18 3HD2 LEU 18 -2.197 4.665 -9.706 143 HD22 LEU 18 1HD2 LEU 18 -3.507 5.397 -8.774 144 HD23 LEU 18 2HD2 LEU 18 -1.973 5.023 -7.991 145 H SER 19 H SER 19 -1.170 10.073 -8.704 146 HA SER 19 HA SER 19 0.273 10.538 -6.178 147 HB2 SER 19 1HB SER 19 -1.134 12.622 -6.115 148 HB3 SER 19 2HB SER 19 -0.126 12.506 -7.560 149 HG SER 19 HG SER 19 -1.849 12.202 -8.775 150 H ARG 20 H ARG 20 -1.298 11.182 -4.294 151 HA ARG 20 HA ARG 20 -2.671 8.869 -3.503 152 HB2 ARG 20 1HB ARG 20 -1.598 10.487 -1.942 153 HB3 ARG 20 2HB ARG 20 -2.872 11.653 -2.283 154 HG2 ARG 20 1HG ARG 20 -4.546 9.989 -1.377 155 HG3 ARG 20 2HG ARG 20 -3.184 8.962 -0.909 156 HD2 ARG 20 1HD ARG 20 -3.767 11.770 0.102 157 HD3 ARG 20 2HD ARG 20 -3.994 10.264 0.995 158 HE ARG 20 HE ARG 20 -1.463 10.009 0.643 159 HH11 ARG 20 1HH1 ARG 20 -3.046 13.106 1.135 160 HH12 ARG 20 2HH1 ARG 20 -1.671 13.811 1.910 161 HH21 ARG 20 1HH2 ARG 20 0.340 10.974 1.619 162 HH22 ARG 20 2HH2 ARG 20 0.238 12.610 2.189 163 H ALA 21 H ALA 21 -4.052 12.074 -4.342 164 HA ALA 21 HA ALA 21 -6.759 11.368 -4.060 165 HB1 ALA 21 3HB ALA 21 -7.281 13.421 -5.287 166 HB2 ALA 21 1HB ALA 21 -5.601 13.539 -5.834 167 HB3 ALA 21 2HB ALA 21 -5.987 13.705 -4.124 168 H ALA 22 H ALA 22 -4.591 11.156 -6.823 169 HA ALA 22 HA ALA 22 -6.480 10.282 -8.765 170 HB1 ALA 22 3HB ALA 22 -4.276 11.203 -9.370 171 HB2 ALA 22 1HB ALA 22 -4.511 9.602 -10.074 172 HB3 ALA 22 2HB ALA 22 -3.480 9.800 -8.651 173 H ALA 23 H ALA 23 -4.464 8.600 -6.394 174 HA ALA 23 HA ALA 23 -4.921 5.933 -7.248 175 HB1 ALA 23 3HB ALA 23 -3.004 6.565 -5.826 176 HB2 ALA 23 1HB ALA 23 -3.957 5.278 -5.081 177 HB3 ALA 23 2HB ALA 23 -4.105 6.939 -4.498 178 H GLU 24 H GLU 24 -6.324 7.741 -4.477 179 HA GLU 24 HA GLU 24 -8.143 5.756 -3.678 180 HB2 GLU 24 1HB GLU 24 -9.085 7.420 -2.171 181 HB3 GLU 24 2HB GLU 24 -7.330 7.559 -2.180 182 HG2 GLU 24 1HG GLU 24 -7.567 9.482 -3.788 183 HG3 GLU 24 2HG GLU 24 -9.311 9.396 -3.555 184 H GLU 25 H GLU 25 -8.439 8.324 -6.054 185 HA GLU 25 HA GLU 25 -11.249 8.211 -6.498 186 HB2 GLU 25 1HB GLU 25 -9.409 9.887 -7.410 187 HB3 GLU 25 2HB GLU 25 -9.226 8.734 -8.720 188 HG2 GLU 25 1HG GLU 25 -11.782 10.196 -7.985 189 HG3 GLU 25 2HG GLU 25 -10.681 10.663 -9.275 190 H LEU 26 H LEU 26 -8.510 6.640 -8.068 191 HA LEU 26 HA LEU 26 -9.866 4.881 -9.753 192 HB2 LEU 26 1HB LEU 26 -7.441 5.519 -9.880 193 HB3 LEU 26 2HB LEU 26 -7.128 4.490 -8.496 194 HG LEU 26 HG LEU 26 -7.748 2.488 -9.797 195 HD11 LEU 26 1HD1 LEU 26 -9.457 3.424 -11.261 196 HD12 LEU 26 2HD1 LEU 26 -8.215 2.616 -12.210 197 HD13 LEU 26 3HD1 LEU 26 -8.242 4.379 -12.120 198 HD21 LEU 26 3HD2 LEU 26 -5.852 2.473 -11.375 199 HD22 LEU 26 1HD2 LEU 26 -5.407 3.203 -9.834 200 HD23 LEU 26 2HD2 LEU 26 -5.717 4.230 -11.236 201 H LEU 27 H LEU 27 -8.807 4.391 -6.364 202 HA LEU 27 HA LEU 27 -9.431 1.654 -6.104 203 HB2 LEU 27 1HB LEU 27 -9.318 3.862 -4.006 204 HB3 LEU 27 2HB LEU 27 -9.494 2.158 -3.611 205 HG LEU 27 HG LEU 27 -7.081 3.374 -5.016 206 HD11 LEU 27 1HD1 LEU 27 -5.866 3.029 -2.911 207 HD12 LEU 27 2HD1 LEU 27 -7.358 2.500 -2.126 208 HD13 LEU 27 3HD1 LEU 27 -7.204 4.159 -2.708 209 HD21 LEU 27 3HD2 LEU 27 -7.463 0.563 -3.942 210 HD22 LEU 27 1HD2 LEU 27 -5.982 1.223 -4.639 211 HD23 LEU 27 2HD2 LEU 27 -7.412 1.030 -5.644 212 H ALA 28 H ALA 28 -11.261 4.592 -5.288 213 HA ALA 28 HA ALA 28 -13.447 3.329 -4.010 214 HB1 ALA 28 3HB ALA 28 -13.355 6.096 -5.257 215 HB2 ALA 28 1HB ALA 28 -12.829 5.691 -3.625 216 HB3 ALA 28 2HB ALA 28 -14.530 5.532 -4.065 217 H ARG 29 H ARG 29 -12.931 4.230 -7.401 218 HA ARG 29 HA ARG 29 -15.669 3.536 -8.148 219 HB2 ARG 29 1HB ARG 29 -14.562 5.445 -9.281 220 HB3 ARG 29 2HB ARG 29 -13.338 4.353 -9.927 221 HG2 ARG 29 1HG ARG 29 -15.076 3.151 -11.218 222 HG3 ARG 29 2HG ARG 29 -16.315 4.215 -10.547 223 HD2 ARG 29 1HD ARG 29 -15.281 6.146 -11.665 224 HD3 ARG 29 2HD ARG 29 -14.003 5.102 -12.306 225 HE ARG 29 HE ARG 29 -16.270 3.906 -13.181 226 HH11 ARG 29 1HH1 ARG 29 -15.139 7.217 -13.480 227 HH12 ARG 29 2HH1 ARG 29 -15.927 7.460 -15.007 228 HH21 ARG 29 1HH2 ARG 29 -17.291 4.236 -15.152 229 HH22 ARG 29 2HH2 ARG 29 -17.143 5.771 -15.945 230 H ALA 30 H ALA 30 -12.381 2.337 -8.992 231 HA ALA 30 HA ALA 30 -13.324 0.286 -10.720 232 HB1 ALA 30 3HB ALA 30 -10.578 0.551 -9.471 233 HB2 ALA 30 1HB ALA 30 -11.105 1.326 -10.967 234 HB3 ALA 30 2HB ALA 30 -11.001 -0.433 -10.878 235 H GLY 31 H GLY 31 -11.636 -0.029 -7.530 236 HA2 GLY 31 1HA GLY 31 -13.032 -2.607 -7.094 237 HA3 GLY 31 2HA GLY 31 -11.356 -2.302 -6.653 238 H ARG 32 H ARG 32 -14.676 -1.355 -5.994 239 HA ARG 32 HA ARG 32 -13.983 0.576 -3.968 240 HB2 ARG 32 1HB ARG 32 -16.073 0.802 -5.336 241 HB3 ARG 32 2HB ARG 32 -16.720 -0.639 -4.557 242 HG2 ARG 32 1HG ARG 32 -16.467 0.587 -2.336 243 HG3 ARG 32 2HG ARG 32 -16.091 2.038 -3.266 244 HD2 ARG 32 1HD ARG 32 -18.328 1.806 -4.394 245 HD3 ARG 32 2HD ARG 32 -18.689 0.464 -3.295 246 HE ARG 32 HE ARG 32 -17.889 2.806 -1.865 247 HH11 ARG 32 1HH1 ARG 32 -20.677 1.351 -3.442 248 HH12 ARG 32 2HH1 ARG 32 -21.814 2.354 -2.604 249 HH21 ARG 32 1HH2 ARG 32 -19.392 4.104 -0.802 250 HH22 ARG 32 2HH2 ARG 32 -21.081 3.918 -1.123 251 H ASP 33 H ASP 33 -12.793 -0.566 -2.320 252 HA ASP 33 HA ASP 33 -13.089 -0.738 -0.038 253 HB2 ASP 33 1HB ASP 33 -15.524 -0.767 0.037 254 HB3 ASP 33 2HB ASP 33 -15.578 -2.389 -0.636 255 H GLY 34 H GLY 34 -11.438 -1.843 0.653 256 HA2 GLY 34 1HA GLY 34 -10.240 -3.752 1.349 257 HA3 GLY 34 2HA GLY 34 -11.188 -4.755 0.262 258 H SER 35 H SER 35 -10.138 -2.020 -1.396 259 HA SER 35 HA SER 35 -8.283 -3.544 -3.004 260 HB2 SER 35 1HB SER 35 -8.093 -1.214 -4.207 261 HB3 SER 35 2HB SER 35 -9.593 -2.104 -4.344 262 HG SER 35 HG SER 35 -10.245 -0.129 -3.747 263 H PHE 36 H PHE 36 -6.128 -2.873 -3.505 264 HA PHE 36 HA PHE 36 -4.812 -0.826 -1.889 265 HB2 PHE 36 1HB PHE 36 -3.040 -2.189 -1.067 266 HB3 PHE 36 2HB PHE 36 -4.476 -3.143 -0.747 267 HD1 PHE 36 HD1 PHE 36 -4.950 -5.189 -2.143 268 HD2 PHE 36 HD2 PHE 36 -1.307 -2.999 -2.581 269 HE1 PHE 36 HE1 PHE 36 -3.938 -7.093 -3.324 270 HE2 PHE 36 HE2 PHE 36 -0.303 -4.907 -3.762 271 HZ PHE 36 HZ PHE 36 -1.618 -6.959 -4.136 272 H LEU 37 H LEU 37 -2.843 -0.088 -2.906 273 HA LEU 37 HA LEU 37 -1.904 -1.400 -5.304 274 HB2 LEU 37 1HB LEU 37 -2.049 0.599 -6.750 275 HB3 LEU 37 2HB LEU 37 -3.616 -0.006 -6.275 276 HG LEU 37 HG LEU 37 -3.650 1.900 -4.521 277 HD11 LEU 37 1HD1 LEU 37 -1.432 3.011 -6.265 278 HD12 LEU 37 2HD1 LEU 37 -1.319 2.585 -4.554 279 HD13 LEU 37 3HD1 LEU 37 -2.352 3.916 -5.060 280 HD21 LEU 37 3HD2 LEU 37 -5.068 1.887 -6.520 281 HD22 LEU 37 1HD2 LEU 37 -3.774 2.626 -7.467 282 HD23 LEU 37 2HD2 LEU 37 -4.528 3.518 -6.141 283 H VAL 38 H VAL 38 0.084 -0.485 -6.093 284 HA VAL 38 HA VAL 38 1.648 1.130 -4.190 285 HB VAL 38 HB VAL 38 2.673 -1.092 -6.039 286 HG11 VAL 38 1HG1 VAL 38 4.933 -0.629 -5.114 287 HG12 VAL 38 2HG1 VAL 38 4.290 0.750 -4.217 288 HG13 VAL 38 3HG1 VAL 38 4.297 0.771 -5.982 289 HG21 VAL 38 3HG2 VAL 38 3.364 -2.235 -3.953 290 HG22 VAL 38 1HG2 VAL 38 1.620 -1.968 -3.994 291 HG23 VAL 38 2HG2 VAL 38 2.646 -0.934 -2.997 292 H ARG 39 H ARG 39 2.871 2.772 -5.211 293 HA ARG 39 HA ARG 39 2.581 3.274 -8.070 294 HB2 ARG 39 1HB ARG 39 1.448 5.473 -7.696 295 HB3 ARG 39 2HB ARG 39 0.435 4.102 -7.243 296 HG2 ARG 39 1HG ARG 39 1.012 4.497 -4.848 297 HG3 ARG 39 2HG ARG 39 1.976 5.897 -5.326 298 HD2 ARG 39 1HD ARG 39 -0.059 6.993 -6.218 299 HD3 ARG 39 2HD ARG 39 -1.020 5.586 -5.761 300 HE ARG 39 HE ARG 39 -0.963 6.250 -3.562 301 HH11 ARG 39 1HH1 ARG 39 1.280 8.282 -5.366 302 HH12 ARG 39 2HH1 ARG 39 1.427 9.440 -4.086 303 HH21 ARG 39 1HH2 ARG 39 -0.728 7.764 -1.910 304 HH22 ARG 39 2HH2 ARG 39 0.303 9.135 -2.135 305 H ASP 40 H ASP 40 3.828 5.096 -8.751 306 HA ASP 40 HA ASP 40 6.144 5.652 -7.029 307 HB2 ASP 40 1HB ASP 40 6.655 5.070 -9.371 308 HB3 ASP 40 2HB ASP 40 5.618 6.365 -9.956 309 H SER 41 H SER 41 6.043 7.391 -5.747 310 HA SER 41 HA SER 41 4.213 9.628 -6.357 311 HB2 SER 41 1HB SER 41 5.763 9.017 -3.797 312 HB3 SER 41 2HB SER 41 4.547 10.280 -4.009 313 HG SER 41 HG SER 41 4.063 7.508 -4.355 314 H GLU 42 H GLU 42 5.468 10.622 -8.016 315 HA GLU 42 HA GLU 42 8.065 11.531 -7.877 316 HB2 GLU 42 1HB GLU 42 5.630 12.959 -9.035 317 HB3 GLU 42 2HB GLU 42 7.303 13.389 -9.392 318 HG2 GLU 42 1HG GLU 42 7.650 11.171 -10.400 319 HG3 GLU 42 2HG GLU 42 5.974 10.744 -10.052 320 H SER 43 H SER 43 5.210 12.871 -6.337 321 HA SER 43 HA SER 43 6.494 15.360 -5.562 322 HB2 SER 43 1HB SER 43 3.658 14.366 -5.068 323 HB3 SER 43 2HB SER 43 4.238 16.025 -4.892 324 HG SER 43 HG SER 43 4.891 15.675 -7.237 325 H VAL 44 H VAL 44 7.943 13.585 -4.279 326 HA VAL 44 HA VAL 44 7.484 14.358 -1.551 327 HB VAL 44 HB VAL 44 6.230 12.356 -1.291 328 HG11 VAL 44 1HG1 VAL 44 8.393 10.747 -2.668 329 HG12 VAL 44 2HG1 VAL 44 6.864 11.240 -3.390 330 HG13 VAL 44 3HG1 VAL 44 6.872 10.132 -2.019 331 HG21 VAL 44 3HG2 VAL 44 7.521 10.965 0.300 332 HG22 VAL 44 1HG2 VAL 44 7.843 12.684 0.548 333 HG23 VAL 44 2HG2 VAL 44 9.025 11.677 -0.288 334 H ALA 45 H ALA 45 9.582 11.908 -3.186 335 HA ALA 45 HA ALA 45 11.998 13.428 -2.948 336 HB1 ALA 45 3HB ALA 45 13.053 12.052 -1.192 337 HB2 ALA 45 1HB ALA 45 11.551 11.144 -0.984 338 HB3 ALA 45 2HB ALA 45 11.618 12.855 -0.552 339 H GLY 46 H GLY 46 10.401 11.548 -4.826 340 HA2 GLY 46 1HA GLY 46 10.607 9.655 -6.105 341 HA3 GLY 46 2HA GLY 46 12.317 9.627 -5.686 342 H ALA 47 H ALA 47 9.299 8.103 -5.132 343 HA ALA 47 HA ALA 47 10.183 6.446 -3.013 344 HB1 ALA 47 3HB ALA 47 7.992 8.424 -2.286 345 HB2 ALA 47 1HB ALA 47 9.639 8.467 -1.659 346 HB3 ALA 47 2HB ALA 47 8.585 7.106 -1.275 347 H PHE 48 H PHE 48 8.563 4.723 -2.603 348 HA PHE 48 HA PHE 48 6.320 4.669 -4.529 349 HB2 PHE 48 1HB PHE 48 7.854 2.413 -3.180 350 HB3 PHE 48 2HB PHE 48 6.292 2.149 -3.954 351 HD1 PHE 48 HD1 PHE 48 6.061 2.946 -6.424 352 HD2 PHE 48 HD2 PHE 48 9.817 2.260 -4.505 353 HE1 PHE 48 HE1 PHE 48 7.136 2.694 -8.617 354 HE2 PHE 48 HE2 PHE 48 10.885 2.004 -6.704 355 HZ PHE 48 HZ PHE 48 9.544 2.225 -8.761 356 H ALA 49 H ALA 49 4.267 4.387 -3.788 357 HA ALA 49 HA ALA 49 3.809 4.579 -0.879 358 HB1 ALA 49 3HB ALA 49 3.447 6.758 -1.952 359 HB2 ALA 49 1HB ALA 49 1.924 6.093 -1.356 360 HB3 ALA 49 2HB ALA 49 2.302 6.031 -3.079 361 H LEU 50 H LEU 50 2.225 3.304 -0.068 362 HA LEU 50 HA LEU 50 0.866 1.368 -1.825 363 HB2 LEU 50 1HB LEU 50 2.495 0.325 -0.279 364 HB3 LEU 50 2HB LEU 50 1.777 1.168 1.080 365 HG LEU 50 HG LEU 50 -0.318 -0.164 0.770 366 HD11 LEU 50 1HD1 LEU 50 -0.294 -2.188 -0.628 367 HD12 LEU 50 2HD1 LEU 50 1.262 -1.707 -1.306 368 HD13 LEU 50 3HD1 LEU 50 -0.172 -0.717 -1.588 369 HD21 LEU 50 3HD2 LEU 50 2.183 -1.823 1.215 370 HD22 LEU 50 1HD2 LEU 50 0.546 -2.255 1.720 371 HD23 LEU 50 2HD2 LEU 50 1.344 -0.853 2.430 372 H CYS 51 H CYS 51 -1.178 2.184 -2.130 373 HA CYS 51 HA CYS 51 -2.517 3.679 0.043 374 HB2 CYS 51 1HB CYS 51 -2.054 4.925 -2.103 375 HB3 CYS 51 2HB CYS 51 -3.035 3.747 -2.967 376 HG CYS 51 HG CYS 51 -5.289 4.443 -1.219 377 H VAL 52 H VAL 52 -4.136 2.580 1.002 378 HA VAL 52 HA VAL 52 -5.339 0.196 -0.276 379 HB VAL 52 HB VAL 52 -4.626 0.471 2.690 380 HG11 VAL 52 1HG1 VAL 52 -5.576 -1.963 1.116 381 HG12 VAL 52 2HG1 VAL 52 -6.516 -1.053 2.301 382 HG13 VAL 52 3HG1 VAL 52 -5.101 -1.966 2.819 383 HG21 VAL 52 3HG2 VAL 52 -3.093 -1.091 0.579 384 HG22 VAL 52 1HG2 VAL 52 -2.770 -1.126 2.318 385 HG23 VAL 52 2HG2 VAL 52 -2.536 0.365 1.404 386 H LEU 53 H LEU 53 -7.511 0.544 -0.502 387 HA LEU 53 HA LEU 53 -8.986 2.371 1.255 388 HB2 LEU 53 1HB LEU 53 -9.408 2.583 -1.143 389 HB3 LEU 53 2HB LEU 53 -9.696 0.862 -1.288 390 HG LEU 53 HG LEU 53 -11.793 1.087 0.033 391 HD11 LEU 53 1HD1 LEU 53 -11.246 3.039 1.400 392 HD12 LEU 53 2HD1 LEU 53 -12.767 3.268 0.541 393 HD13 LEU 53 3HD1 LEU 53 -11.303 4.076 -0.029 394 HD21 LEU 53 3HD2 LEU 53 -11.903 1.151 -2.412 395 HD22 LEU 53 1HD2 LEU 53 -11.682 2.907 -2.395 396 HD23 LEU 53 2HD2 LEU 53 -13.137 2.189 -1.701 397 H TYR 54 H TYR 54 -10.242 1.608 2.893 398 HA TYR 54 HA TYR 54 -11.745 -0.813 2.697 399 HB2 TYR 54 1HB TYR 54 -9.614 -1.817 3.476 400 HB3 TYR 54 2HB TYR 54 -9.589 -0.726 4.862 401 HD1 TYR 54 HD1 TYR 54 -11.704 -3.391 3.260 402 HD2 TYR 54 HD2 TYR 54 -10.609 -1.459 6.912 403 HE1 TYR 54 HE1 TYR 54 -12.999 -5.044 4.528 404 HE2 TYR 54 HE2 TYR 54 -11.903 -3.119 8.177 405 HH TYR 54 HH TYR 54 -13.846 -4.674 7.745 406 H GLN 55 H GLN 55 -13.562 -0.469 3.680 407 HA GLN 55 HA GLN 55 -15.293 0.479 4.824 408 HB2 GLN 55 1HB GLN 55 -14.062 -1.093 6.438 409 HB3 GLN 55 2HB GLN 55 -13.338 0.337 7.156 410 HG2 GLN 55 1HG GLN 55 -15.620 1.149 7.762 411 HG3 GLN 55 2HG GLN 55 -16.302 -0.341 7.108 412 HE21 GLN 55 2HE2 GLN 55 -15.792 -2.339 8.174 413 HE22 GLN 55 1HE2 GLN 55 -15.295 -2.356 9.830 414 H LYS 56 H LYS 56 -14.375 2.491 3.430 415 HA LYS 56 HA LYS 56 -14.046 4.676 3.153 416 HB2 LYS 56 1HB LYS 56 -15.510 4.866 5.822 417 HB3 LYS 56 2HB LYS 56 -15.356 6.169 4.641 418 HG2 LYS 56 1HG LYS 56 -16.639 4.842 2.995 419 HG3 LYS 56 2HG LYS 56 -16.793 3.528 4.166 420 HD2 LYS 56 1HD LYS 56 -18.083 5.043 5.670 421 HD3 LYS 56 2HD LYS 56 -17.943 6.335 4.468 422 HE2 LYS 56 1HE LYS 56 -19.140 4.852 2.832 423 HE3 LYS 56 2HE LYS 56 -19.400 3.683 4.132 424 HZ1 LYS 56 3HZ LYS 56 -20.640 5.387 5.327 425 HZ2 LYS 56 1HZ LYS 56 -21.319 5.103 3.804 426 HZ3 LYS 56 2HZ LYS 56 -20.384 6.486 4.071 427 H HIS 57 H HIS 57 -11.845 3.359 4.205 428 HA HIS 57 HA HIS 57 -10.378 5.624 5.394 429 HB2 HIS 57 1HB HIS 57 -10.030 2.718 6.284 430 HB3 HIS 57 2HB HIS 57 -8.974 4.045 6.744 431 HD1 HIS 57 HD1 HIS 57 -11.963 2.268 7.763 432 HD2 HIS 57 HD2 HIS 57 -10.334 6.032 8.425 433 HE1 HIS 57 HE1 HIS 57 -13.146 3.166 9.786 434 HE2 HIS 57 HE2 HIS 57 -12.004 5.355 10.274 435 H VAL 58 H VAL 58 -9.302 6.173 3.571 436 HA VAL 58 HA VAL 58 -7.726 4.171 2.089 437 HB VAL 58 HB VAL 58 -8.012 7.191 1.637 438 HG11 VAL 58 1HG1 VAL 58 -6.635 5.112 -0.113 439 HG12 VAL 58 2HG1 VAL 58 -5.831 6.370 0.828 440 HG13 VAL 58 3HG1 VAL 58 -6.870 6.815 -0.525 441 HG21 VAL 58 3HG2 VAL 58 -9.375 6.586 -0.338 442 HG22 VAL 58 1HG2 VAL 58 -10.113 6.011 1.160 443 HG23 VAL 58 2HG2 VAL 58 -9.267 4.880 0.102 444 H HIS 59 H HIS 59 -5.902 3.602 3.257 445 HA HIS 59 HA HIS 59 -4.360 5.689 4.660 446 HB2 HIS 59 1HB HIS 59 -5.107 3.508 5.852 447 HB3 HIS 59 2HB HIS 59 -3.978 2.659 4.809 448 HD1 HIS 59 HD1 HIS 59 -4.004 3.239 8.082 449 HD2 HIS 59 HD2 HIS 59 -1.351 4.602 5.194 450 HE1 HIS 59 HE1 HIS 59 -1.871 3.756 9.316 451 HE2 HIS 59 HE2 HIS 59 -0.345 4.739 7.561 452 H THR 60 H THR 60 -2.410 6.299 3.794 453 HA THR 60 HA THR 60 -1.321 4.791 1.488 454 HB THR 60 HB THR 60 -1.084 7.780 2.096 455 HG1 THR 60 HG1 THR 60 -3.083 6.970 1.110 456 HG21 THR 60 3HG2 THR 60 0.142 7.958 -0.053 457 HG22 THR 60 1HG2 THR 60 0.130 6.194 -0.211 458 HG23 THR 60 2HG2 THR 60 1.024 6.963 1.102 459 H TYR 61 H TYR 61 0.799 4.216 1.627 460 HA TYR 61 HA TYR 61 2.334 4.807 4.099 461 HB2 TYR 61 1HB TYR 61 2.408 2.168 2.538 462 HB3 TYR 61 2HB TYR 61 3.283 2.529 4.015 463 HD1 TYR 61 HD1 TYR 61 -0.067 1.730 2.616 464 HD2 TYR 61 HD2 TYR 61 2.204 2.198 6.204 465 HE1 TYR 61 HE1 TYR 61 -1.864 0.658 3.890 466 HE2 TYR 61 HE2 TYR 61 0.403 1.126 7.479 467 HH TYR 61 HH TYR 61 -2.152 -0.559 5.989 468 H ARG 62 H ARG 62 3.763 6.373 3.194 469 HA ARG 62 HA ARG 62 4.873 5.956 0.508 470 HB2 ARG 62 1HB ARG 62 5.320 8.178 2.547 471 HB3 ARG 62 2HB ARG 62 6.077 8.138 0.956 472 HG2 ARG 62 1HG ARG 62 3.929 8.359 -0.142 473 HG3 ARG 62 2HG ARG 62 3.071 8.204 1.397 474 HD2 ARG 62 1HD ARG 62 4.965 10.465 0.643 475 HD3 ARG 62 2HD ARG 62 3.200 10.561 0.658 476 HE ARG 62 HE ARG 62 4.009 9.716 3.196 477 HH11 ARG 62 1HH1 ARG 62 4.295 12.640 1.260 478 HH12 ARG 62 2HH1 ARG 62 4.431 13.664 2.647 479 HH21 ARG 62 1HH2 ARG 62 4.199 11.084 4.972 480 HH22 ARG 62 2HH2 ARG 62 4.356 12.795 4.738 481 H ILE 63 H ILE 63 6.133 4.073 0.809 482 HA ILE 63 HA ILE 63 8.426 4.067 2.528 483 HB ILE 63 HB ILE 63 7.799 2.256 0.144 484 HG12 ILE 63 1HG1 ILE 63 7.231 0.595 2.190 485 HG13 ILE 63 2HG1 ILE 63 6.875 2.095 3.029 486 HG21 ILE 63 1HG2 ILE 63 9.747 1.896 2.434 487 HG22 ILE 63 2HG2 ILE 63 10.140 2.166 0.734 488 HG23 ILE 63 3HG2 ILE 63 9.359 0.665 1.229 489 HD11 ILE 63 3HD1 ILE 63 4.883 1.082 2.120 490 HD12 ILE 63 1HD1 ILE 63 5.572 1.109 0.498 491 HD13 ILE 63 2HD1 ILE 63 5.195 2.623 1.323 492 H LEU 64 H LEU 64 10.579 4.514 1.985 493 HA LEU 64 HA LEU 64 11.171 5.743 -0.623 494 HB2 LEU 64 1HB LEU 64 12.616 5.747 2.061 495 HB3 LEU 64 2HB LEU 64 13.438 6.223 0.583 496 HG LEU 64 HG LEU 64 11.741 8.049 0.270 497 HD11 LEU 64 1HD1 LEU 64 10.305 8.754 2.121 498 HD12 LEU 64 2HD1 LEU 64 10.758 7.316 3.035 499 HD13 LEU 64 3HD1 LEU 64 9.858 7.156 1.526 500 HD21 LEU 64 3HD2 LEU 64 13.924 8.539 1.262 501 HD22 LEU 64 1HD2 LEU 64 13.289 8.195 2.873 502 HD23 LEU 64 2HD2 LEU 64 12.672 9.569 1.952 503 HA PRO 65 HA PRO 65 12.251 1.596 -1.625 504 HB2 PRO 65 1HB PRO 65 13.005 1.858 -4.229 505 HB3 PRO 65 2HB PRO 65 11.352 2.160 -3.682 506 HG2 PRO 65 1HG PRO 65 13.545 4.143 -4.262 507 HG3 PRO 65 2HG PRO 65 11.828 4.210 -4.717 508 HD2 PRO 65 1HD PRO 65 12.880 5.554 -2.554 509 HD3 PRO 65 2HD PRO 65 11.187 5.031 -2.651 510 H ASP 66 H ASP 66 15.015 3.805 -2.517 511 HA ASP 66 HA ASP 66 16.905 1.589 -2.243 512 HB2 ASP 66 1HB ASP 66 15.860 1.189 -4.453 513 HB3 ASP 66 2HB ASP 66 16.231 2.833 -4.951 514 H GLY 67 H GLY 67 19.152 2.299 -2.900 515 HA2 GLY 67 1HA GLY 67 20.439 4.416 -3.498 516 HA3 GLY 67 2HA GLY 67 19.654 5.118 -2.094 517 H GLU 68 H GLU 68 20.350 4.607 -0.068 518 HA GLU 68 HA GLU 68 22.710 2.828 0.238 519 HB2 GLU 68 1HB GLU 68 23.637 4.447 1.853 520 HB3 GLU 68 2HB GLU 68 23.401 5.221 0.287 521 HG2 GLU 68 1HG GLU 68 21.307 6.252 1.116 522 HG3 GLU 68 2HG GLU 68 21.538 5.479 2.679 523 H ASP 69 H ASP 69 20.016 2.029 0.612 524 HA ASP 69 HA ASP 69 19.575 1.602 3.423 525 HB2 ASP 69 1HB ASP 69 19.010 4.080 3.112 526 HB3 ASP 69 2HB ASP 69 17.728 3.599 2.006 527 H PHE 70 H PHE 70 17.119 0.788 3.607 528 HA PHE 70 HA PHE 70 16.491 -0.957 1.297 529 HB2 PHE 70 1HB PHE 70 16.446 -1.686 4.272 530 HB3 PHE 70 2HB PHE 70 15.733 -2.685 3.006 531 HD1 PHE 70 HD1 PHE 70 17.217 -3.715 1.252 532 HD2 PHE 70 HD2 PHE 70 18.833 -1.762 4.698 533 HE1 PHE 70 HE1 PHE 70 19.383 -4.813 0.871 534 HE2 PHE 70 HE2 PHE 70 20.995 -2.868 4.306 535 HZ PHE 70 HZ PHE 70 21.272 -4.398 2.391 536 H LEU 71 H LEU 71 14.110 -1.618 1.389 537 HA LEU 71 HA LEU 71 12.679 0.911 1.910 538 HB2 LEU 71 1HB LEU 71 10.941 0.042 0.370 539 HB3 LEU 71 2HB LEU 71 12.488 0.317 -0.370 540 HG LEU 71 HG LEU 71 11.789 -2.503 0.451 541 HD11 LEU 71 1HD1 LEU 71 10.657 -2.918 -1.686 542 HD12 LEU 71 2HD1 LEU 71 10.727 -1.201 -2.077 543 HD13 LEU 71 3HD1 LEU 71 9.762 -1.758 -0.709 544 HD21 LEU 71 3HD2 LEU 71 13.132 -3.073 -1.527 545 HD22 LEU 71 1HD2 LEU 71 14.035 -2.051 -0.409 546 HD23 LEU 71 2HD2 LEU 71 13.354 -1.360 -1.883 547 H ALA 72 H ALA 72 11.673 0.996 3.752 548 HA ALA 72 HA ALA 72 10.335 -1.391 4.905 549 HB1 ALA 72 3HB ALA 72 10.762 -0.413 7.112 550 HB2 ALA 72 1HB ALA 72 11.547 0.984 6.368 551 HB3 ALA 72 2HB ALA 72 12.269 -0.616 6.221 552 H VAL 73 H VAL 73 8.309 -1.179 5.670 553 HA VAL 73 HA VAL 73 6.736 1.154 4.807 554 HB VAL 73 HB VAL 73 5.686 -1.404 6.096 555 HG11 VAL 73 1HG1 VAL 73 3.529 -0.781 5.042 556 HG12 VAL 73 2HG1 VAL 73 4.260 0.700 4.421 557 HG13 VAL 73 3HG1 VAL 73 4.093 0.466 6.161 558 HG21 VAL 73 3HG2 VAL 73 6.928 -2.009 4.060 559 HG22 VAL 73 1HG2 VAL 73 5.990 -0.849 3.122 560 HG23 VAL 73 2HG2 VAL 73 5.195 -2.255 3.837 561 H GLN 74 H GLN 74 5.504 2.423 6.306 562 HA GLN 74 HA GLN 74 6.460 2.255 9.106 563 HB2 GLN 74 1HB GLN 74 6.171 4.599 7.243 564 HB3 GLN 74 2HB GLN 74 5.659 4.871 8.898 565 HG2 GLN 74 1HG GLN 74 8.008 5.557 8.480 566 HG3 GLN 74 2HG GLN 74 7.852 4.361 9.759 567 HE21 GLN 74 2HE2 GLN 74 8.753 2.294 9.459 568 HE22 GLN 74 1HE2 GLN 74 9.826 1.928 8.156 569 H THR 75 H THR 75 4.860 0.906 9.715 570 HA THR 75 HA THR 75 2.045 1.739 9.602 571 HB THR 75 HB THR 75 1.727 -0.389 11.066 572 HG1 THR 75 HG1 THR 75 3.430 -1.699 11.383 573 HG21 THR 75 3HG2 THR 75 1.242 -0.406 8.641 574 HG22 THR 75 1HG2 THR 75 1.936 -1.943 9.156 575 HG23 THR 75 2HG2 THR 75 2.936 -0.766 8.300 576 H SER 76 H SER 76 4.128 0.625 12.286 577 HA SER 76 HA SER 76 4.293 2.977 13.764 578 HB2 SER 76 1HB SER 76 1.833 2.753 14.096 579 HB3 SER 76 2HB SER 76 2.058 1.138 14.770 580 HG SER 76 HG SER 76 3.260 3.475 15.844 581 H GLN 77 H GLN 77 5.784 2.648 15.413 582 HA GLN 77 HA GLN 77 7.064 0.111 15.741 583 HB2 GLN 77 1HB GLN 77 8.286 2.247 15.966 584 HB3 GLN 77 2HB GLN 77 7.317 2.679 17.370 585 HG2 GLN 77 1HG GLN 77 8.321 0.947 18.696 586 HG3 GLN 77 2HG GLN 77 9.103 0.235 17.286 587 HE21 GLN 77 2HE2 GLN 77 10.307 1.196 19.794 588 HE22 GLN 77 1HE2 GLN 77 11.468 2.392 19.346 589 H GLY 78 H GLY 78 6.698 -1.490 17.349 590 HA2 GLY 78 1HA GLY 78 5.494 -1.854 19.570 591 HA3 GLY 78 2HA GLY 78 4.088 -1.231 18.693 592 H VAL 79 H VAL 79 3.338 -2.375 16.829 593 HA VAL 79 HA VAL 79 3.716 -5.148 16.491 594 HB VAL 79 HB VAL 79 2.638 -4.906 14.263 595 HG11 VAL 79 1HG1 VAL 79 0.491 -3.907 15.009 596 HG12 VAL 79 2HG1 VAL 79 1.310 -3.198 16.405 597 HG13 VAL 79 3HG1 VAL 79 1.194 -4.953 16.243 598 HG21 VAL 79 3HG2 VAL 79 3.717 -2.834 13.461 599 HG22 VAL 79 1HG2 VAL 79 2.862 -1.885 14.681 600 HG23 VAL 79 2HG2 VAL 79 1.965 -2.671 13.374 601 HA PRO 80 HA PRO 80 7.815 -5.317 14.707 602 HB2 PRO 80 1HB PRO 80 7.690 -7.697 13.296 603 HB3 PRO 80 2HB PRO 80 7.815 -7.608 15.056 604 HG2 PRO 80 1HG PRO 80 5.357 -7.999 13.351 605 HG3 PRO 80 2HG PRO 80 5.848 -8.863 14.829 606 HD2 PRO 80 1HD PRO 80 4.014 -6.878 14.895 607 HD3 PRO 80 2HD PRO 80 5.161 -7.115 16.230 608 H VAL 81 H VAL 81 8.533 -4.033 13.130 609 HA VAL 81 HA VAL 81 7.198 -3.849 10.509 610 HB VAL 81 HB VAL 81 9.221 -2.001 11.890 611 HG11 VAL 81 1HG1 VAL 81 8.881 -0.430 10.000 612 HG12 VAL 81 2HG1 VAL 81 7.893 -1.638 9.177 613 HG13 VAL 81 3HG1 VAL 81 9.607 -1.949 9.466 614 HG21 VAL 81 3HG2 VAL 81 6.256 -1.556 11.302 615 HG22 VAL 81 1HG2 VAL 81 7.349 -0.385 12.035 616 HG23 VAL 81 2HG2 VAL 81 6.958 -1.878 12.891 617 H ARG 82 H ARG 82 8.376 -4.298 8.623 618 HA ARG 82 HA ARG 82 11.028 -5.603 8.949 619 HB2 ARG 82 1HB ARG 82 8.741 -6.220 7.030 620 HB3 ARG 82 2HB ARG 82 10.332 -6.971 6.936 621 HG2 ARG 82 1HG ARG 82 8.414 -7.216 9.287 622 HG3 ARG 82 2HG ARG 82 8.620 -8.417 8.003 623 HD2 ARG 82 1HD ARG 82 11.063 -8.576 8.671 624 HD3 ARG 82 2HD ARG 82 10.689 -7.546 10.057 625 HE ARG 82 HE ARG 82 9.376 -9.280 10.998 626 HH11 ARG 82 1HH1 ARG 82 10.982 -10.332 8.030 627 HH12 ARG 82 2HH1 ARG 82 10.851 -12.014 8.428 628 HH21 ARG 82 1HH2 ARG 82 9.205 -11.492 11.472 629 HH22 ARG 82 2HH2 ARG 82 9.834 -12.673 10.371 630 H ARG 83 H ARG 83 12.683 -4.999 7.558 631 HA ARG 83 HA ARG 83 12.173 -3.023 5.437 632 HB2 ARG 83 1HB ARG 83 14.774 -4.150 6.577 633 HB3 ARG 83 2HB ARG 83 14.711 -3.091 5.169 634 HG2 ARG 83 1HG ARG 83 13.602 -1.355 6.627 635 HG3 ARG 83 2HG ARG 83 13.918 -2.396 8.017 636 HD2 ARG 83 1HD ARG 83 16.309 -2.209 7.680 637 HD3 ARG 83 2HD ARG 83 16.081 -1.358 6.148 638 HE ARG 83 HE ARG 83 15.756 -0.280 8.859 639 HH11 ARG 83 1HH1 ARG 83 15.400 0.347 5.395 640 HH12 ARG 83 2HH1 ARG 83 15.456 2.068 5.584 641 HH21 ARG 83 1HH2 ARG 83 15.764 1.973 9.075 642 HH22 ARG 83 2HH2 ARG 83 15.638 2.989 7.675 643 H PHE 84 H PHE 84 12.795 -3.478 3.266 644 HA PHE 84 HA PHE 84 12.872 -6.354 2.544 645 HB2 PHE 84 1HB PHE 84 11.177 -4.307 1.047 646 HB3 PHE 84 2HB PHE 84 11.200 -6.048 0.825 647 HD1 PHE 84 HD1 PHE 84 10.451 -7.510 2.791 648 HD2 PHE 84 HD2 PHE 84 9.597 -3.337 2.553 649 HE1 PHE 84 HE1 PHE 84 8.652 -7.778 4.424 650 HE2 PHE 84 HE2 PHE 84 7.790 -3.616 4.191 651 HZ PHE 84 HZ PHE 84 7.323 -5.846 5.125 652 H GLN 85 H GLN 85 13.649 -6.783 0.448 653 HA GLN 85 HA GLN 85 15.658 -4.924 -0.604 654 HB2 GLN 85 1HB GLN 85 16.487 -6.850 -1.852 655 HB3 GLN 85 2HB GLN 85 16.252 -7.286 -0.162 656 HG2 GLN 85 1HG GLN 85 13.991 -8.262 -0.883 657 HG3 GLN 85 2HG GLN 85 14.552 -8.062 -2.540 658 HE21 GLN 85 2HE2 GLN 85 14.924 -9.834 0.424 659 HE22 GLN 85 1HE2 GLN 85 15.928 -11.095 -0.206 660 H THR 86 H THR 86 12.426 -5.953 -1.342 661 HA THR 86 HA THR 86 12.345 -4.361 -3.755 662 HB THR 86 HB THR 86 13.217 -6.531 -4.627 663 HG1 THR 86 HG1 THR 86 11.938 -5.274 -5.987 664 HG21 THR 86 3HG2 THR 86 11.775 -8.524 -4.701 665 HG22 THR 86 1HG2 THR 86 10.566 -7.704 -3.711 666 HG23 THR 86 2HG2 THR 86 12.151 -8.091 -3.032 667 H LEU 87 H LEU 87 10.190 -4.129 -4.632 668 HA LEU 87 HA LEU 87 8.167 -3.681 -2.735 669 HB2 LEU 87 1HB LEU 87 7.993 -3.874 -5.764 670 HB3 LEU 87 2HB LEU 87 6.677 -3.298 -4.750 671 HG LEU 87 HG LEU 87 9.408 -1.956 -4.923 672 HD11 LEU 87 1HD1 LEU 87 6.809 -1.145 -6.259 673 HD12 LEU 87 2HD1 LEU 87 8.245 -1.785 -7.066 674 HD13 LEU 87 3HD1 LEU 87 8.313 -0.219 -6.261 675 HD21 LEU 87 3HD2 LEU 87 6.828 -1.020 -3.610 676 HD22 LEU 87 1HD2 LEU 87 8.321 -0.086 -3.739 677 HD23 LEU 87 2HD2 LEU 87 8.287 -1.559 -2.774 678 H GLY 88 H GLY 88 8.661 -6.428 -4.952 679 HA2 GLY 88 1HA GLY 88 6.299 -7.863 -4.553 680 HA3 GLY 88 2HA GLY 88 7.865 -8.584 -4.891 681 H GLU 89 H GLU 89 9.193 -7.734 -2.530 682 HA GLU 89 HA GLU 89 8.426 -9.804 -0.699 683 HB2 GLU 89 1HB GLU 89 10.815 -8.963 -1.206 684 HB3 GLU 89 2HB GLU 89 10.452 -7.590 -0.183 685 HG2 GLU 89 1HG GLU 89 10.260 -8.948 1.765 686 HG3 GLU 89 2HG GLU 89 10.211 -10.432 0.811 687 H LEU 90 H LEU 90 8.214 -6.293 -0.789 688 HA LEU 90 HA LEU 90 7.225 -5.634 1.713 689 HB2 LEU 90 1HB LEU 90 7.980 -4.103 -0.147 690 HB3 LEU 90 2HB LEU 90 6.457 -4.383 -0.963 691 HG LEU 90 HG LEU 90 6.588 -3.116 1.799 692 HD11 LEU 90 1HD1 LEU 90 6.650 -1.635 -0.858 693 HD12 LEU 90 2HD1 LEU 90 7.984 -1.757 0.293 694 HD13 LEU 90 3HD1 LEU 90 6.510 -0.904 0.742 695 HD21 LEU 90 3HD2 LEU 90 4.435 -2.976 -0.350 696 HD22 LEU 90 1HD2 LEU 90 4.399 -2.130 1.201 697 HD23 LEU 90 2HD2 LEU 90 4.346 -3.891 1.157 698 H ILE 91 H ILE 91 5.362 -6.427 -1.223 699 HA ILE 91 HA ILE 91 2.780 -6.408 -0.055 700 HB ILE 91 HB ILE 91 3.687 -7.912 -2.563 701 HG12 ILE 91 1HG1 ILE 91 4.289 -5.523 -2.734 702 HG13 ILE 91 2HG1 ILE 91 2.982 -5.899 -3.847 703 HG21 ILE 91 1HG2 ILE 91 0.897 -6.996 -1.765 704 HG22 ILE 91 2HG2 ILE 91 1.475 -8.660 -1.823 705 HG23 ILE 91 3HG2 ILE 91 1.328 -7.729 -3.314 706 HD11 ILE 91 3HD1 ILE 91 2.701 -3.750 -2.763 707 HD12 ILE 91 1HD1 ILE 91 2.666 -4.520 -1.182 708 HD13 ILE 91 2HD1 ILE 91 1.382 -4.843 -2.354 709 H GLY 92 H GLY 92 5.191 -8.928 -0.517 710 HA2 GLY 92 1HA GLY 92 3.816 -11.260 0.072 711 HA3 GLY 92 2HA GLY 92 5.510 -10.984 0.441 712 H LEU 93 H LEU 93 5.598 -9.243 2.439 713 HA LEU 93 HA LEU 93 4.641 -10.754 4.685 714 HB2 LEU 93 1HB LEU 93 6.316 -8.246 4.405 715 HB3 LEU 93 2HB LEU 93 5.761 -8.767 5.977 716 HG LEU 93 HG LEU 93 8.056 -9.468 5.648 717 HD11 LEU 93 1HD1 LEU 93 7.888 -11.857 6.111 718 HD12 LEU 93 2HD1 LEU 93 6.213 -11.862 5.549 719 HD13 LEU 93 3HD1 LEU 93 6.665 -10.933 6.981 720 HD21 LEU 93 3HD2 LEU 93 8.755 -11.051 3.898 721 HD22 LEU 93 1HD2 LEU 93 8.160 -9.537 3.218 722 HD23 LEU 93 2HD2 LEU 93 7.142 -10.977 3.183 723 H TYR 94 H TYR 94 3.664 -7.694 3.148 724 HA TYR 94 HA TYR 94 1.942 -7.016 5.420 725 HB2 TYR 94 1HB TYR 94 2.926 -5.479 3.007 726 HB3 TYR 94 2HB TYR 94 1.527 -4.890 3.910 727 HD1 TYR 94 HD1 TYR 94 4.901 -6.351 4.792 728 HD2 TYR 94 HD2 TYR 94 2.056 -3.260 5.517 729 HE1 TYR 94 HE1 TYR 94 6.336 -5.450 6.569 730 HE2 TYR 94 HE2 TYR 94 3.486 -2.360 7.286 731 HH TYR 94 HH TYR 94 5.274 -3.059 8.783 732 H ALA 95 H ALA 95 1.473 -8.977 2.779 733 HA ALA 95 HA ALA 95 -1.353 -8.607 2.503 734 HB1 ALA 95 3HB ALA 95 -0.022 -9.911 0.879 735 HB2 ALA 95 1HB ALA 95 -1.334 -10.885 1.555 736 HB3 ALA 95 2HB ALA 95 0.322 -11.117 2.120 737 H GLN 96 H GLN 96 0.524 -9.494 5.150 738 HA GLN 96 HA GLN 96 -1.357 -11.245 6.503 739 HB2 GLN 96 1HB GLN 96 1.132 -9.798 7.499 740 HB3 GLN 96 2HB GLN 96 0.197 -10.938 8.463 741 HG2 GLN 96 1HG GLN 96 0.784 -12.753 6.942 742 HG3 GLN 96 2HG GLN 96 1.646 -11.627 5.889 743 HE21 GLN 96 2HE2 GLN 96 2.590 -13.999 7.400 744 HE22 GLN 96 1HE2 GLN 96 3.923 -13.447 8.349 745 HA PRO 97 HA PRO 97 -3.523 -7.626 8.383 746 HB2 PRO 97 1HB PRO 97 -5.542 -9.002 9.565 747 HB3 PRO 97 2HB PRO 97 -5.519 -8.705 7.821 748 HG2 PRO 97 1HG PRO 97 -4.718 -11.189 9.332 749 HG3 PRO 97 2HG PRO 97 -5.702 -11.052 7.858 750 HD2 PRO 97 1HD PRO 97 -3.025 -11.688 7.828 751 HD3 PRO 97 2HD PRO 97 -3.835 -10.848 6.484 752 H ASN 98 H ASN 98 -4.396 -7.406 10.788 753 HA ASN 98 HA ASN 98 -3.757 -6.986 12.919 754 HB2 ASN 98 1HB ASN 98 -4.602 -9.381 13.053 755 HB3 ASN 98 2HB ASN 98 -2.929 -9.921 12.970 756 HD21 ASN 98 2HD2 ASN 98 -5.363 -8.401 14.942 757 HD22 ASN 98 1HD2 ASN 98 -4.500 -8.469 16.433 758 H GLN 99 H GLN 99 -2.061 -5.676 11.819 759 HA GLN 99 HA GLN 99 0.405 -5.747 13.197 760 HB2 GLN 99 1HB GLN 99 0.796 -7.621 11.483 761 HB3 GLN 99 2HB GLN 99 0.747 -6.394 10.224 762 HG2 GLN 99 1HG GLN 99 2.734 -5.303 11.178 763 HG3 GLN 99 2HG GLN 99 2.741 -6.449 12.521 764 HE21 GLN 99 2HE2 GLN 99 3.294 -6.063 9.075 765 HE22 GLN 99 1HE2 GLN 99 4.216 -7.506 8.866 766 H GLY 100 H GLY 100 -1.912 -4.005 12.127 767 HA2 GLY 100 1HA GLY 100 -1.722 -1.617 12.340 768 HA3 GLY 100 2HA GLY 100 -0.215 -1.666 11.434 769 H LEU 101 H LEU 101 -1.542 -3.706 9.560 770 HA LEU 101 HA LEU 101 -2.490 -1.936 7.564 771 HB2 LEU 101 1HB LEU 101 -2.492 -4.976 7.811 772 HB3 LEU 101 2HB LEU 101 -3.070 -4.152 6.384 773 HG LEU 101 HG LEU 101 -0.800 -5.030 6.040 774 HD11 LEU 101 1HD1 LEU 101 -0.839 -2.008 6.065 775 HD12 LEU 101 2HD1 LEU 101 -1.450 -3.059 4.785 776 HD13 LEU 101 3HD1 LEU 101 0.271 -3.032 5.151 777 HD21 LEU 101 3HD2 LEU 101 1.136 -4.247 7.225 778 HD22 LEU 101 1HD2 LEU 101 -0.012 -4.903 8.384 779 HD23 LEU 101 2HD2 LEU 101 0.170 -3.152 8.211 780 H VAL 102 H VAL 102 -4.477 -1.164 7.275 781 HA VAL 102 HA VAL 102 -6.608 -1.413 8.984 782 HB VAL 102 HB VAL 102 -6.243 0.454 7.406 783 HG11 VAL 102 1HG1 VAL 102 -7.315 -1.380 5.235 784 HG12 VAL 102 2HG1 VAL 102 -5.670 -0.756 5.368 785 HG13 VAL 102 3HG1 VAL 102 -7.013 0.347 5.052 786 HG21 VAL 102 3HG2 VAL 102 -9.022 -0.745 7.245 787 HG22 VAL 102 1HG2 VAL 102 -8.627 0.944 6.927 788 HG23 VAL 102 2HG2 VAL 102 -8.390 0.268 8.541 789 H CYS 103 H CYS 103 -5.949 -3.426 6.144 790 HA CYS 103 HA CYS 103 -7.844 -5.441 7.068 791 HB2 CYS 103 1HB CYS 103 -9.007 -5.602 4.875 792 HB3 CYS 103 2HB CYS 103 -9.259 -4.035 5.636 793 HG CYS 103 HG CYS 103 -7.234 -4.721 2.965 794 H ALA 104 H ALA 104 -4.835 -4.870 6.166 795 HA ALA 104 HA ALA 104 -3.116 -5.828 5.066 796 HB1 ALA 104 3HB ALA 104 -3.131 -8.216 4.533 797 HB2 ALA 104 1HB ALA 104 -4.884 -8.280 4.746 798 HB3 ALA 104 2HB ALA 104 -3.837 -7.947 6.124 799 H LEU 105 H LEU 105 -2.642 -7.070 2.815 800 HA LEU 105 HA LEU 105 -3.928 -5.453 0.754 801 HB2 LEU 105 1HB LEU 105 -1.583 -7.379 0.544 802 HB3 LEU 105 2HB LEU 105 -2.042 -6.146 -0.627 803 HG LEU 105 HG LEU 105 -0.925 -5.677 2.169 804 HD11 LEU 105 1HD1 LEU 105 0.986 -4.667 1.034 805 HD12 LEU 105 2HD1 LEU 105 0.284 -5.088 -0.531 806 HD13 LEU 105 3HD1 LEU 105 0.770 -6.361 0.593 807 HD21 LEU 105 3HD2 LEU 105 -2.596 -3.952 1.714 808 HD22 LEU 105 1HD2 LEU 105 -1.814 -3.564 0.181 809 HD23 LEU 105 2HD2 LEU 105 -0.974 -3.269 1.706 810 H LEU 106 H LEU 106 -5.923 -6.354 0.472 811 HA LEU 106 HA LEU 106 -6.280 -9.242 0.058 812 HB2 LEU 106 1HB LEU 106 -8.364 -7.026 0.286 813 HB3 LEU 106 2HB LEU 106 -8.699 -8.755 0.253 814 HG LEU 106 HG LEU 106 -7.248 -7.247 2.463 815 HD11 LEU 106 1HD1 LEU 106 -9.218 -7.751 3.840 816 HD12 LEU 106 2HD1 LEU 106 -10.012 -8.504 2.454 817 HD13 LEU 106 3HD1 LEU 106 -9.642 -6.779 2.430 818 HD21 LEU 106 3HD2 LEU 106 -7.292 -9.379 3.731 819 HD22 LEU 106 1HD2 LEU 106 -6.298 -9.483 2.278 820 HD23 LEU 106 2HD2 LEU 106 -7.906 -10.216 2.301 821 H LEU 107 H LEU 107 -7.569 -6.302 -1.544 822 HA LEU 107 HA LEU 107 -7.921 -7.816 -4.077 823 HB2 LEU 107 1HB LEU 107 -9.392 -5.394 -2.952 824 HB3 LEU 107 2HB LEU 107 -9.504 -5.846 -4.641 825 HG LEU 107 HG LEU 107 -10.536 -8.022 -3.962 826 HD11 LEU 107 1HD1 LEU 107 -9.683 -8.285 -1.711 827 HD12 LEU 107 2HD1 LEU 107 -11.444 -8.290 -1.681 828 HD13 LEU 107 3HD1 LEU 107 -10.558 -6.850 -1.166 829 HD21 LEU 107 3HD2 LEU 107 -11.929 -6.112 -4.668 830 HD22 LEU 107 1HD2 LEU 107 -12.026 -5.551 -2.993 831 HD23 LEU 107 2HD2 LEU 107 -12.750 -7.092 -3.460 832 HA PRO 108 HA PRO 108 -4.716 -4.871 -5.654 833 HB2 PRO 108 1HB PRO 108 -5.574 -6.041 -8.287 834 HB3 PRO 108 2HB PRO 108 -3.949 -5.892 -7.609 835 HG2 PRO 108 1HG PRO 108 -5.123 -8.273 -7.688 836 HG3 PRO 108 2HG PRO 108 -4.215 -7.794 -6.235 837 HD2 PRO 108 1HD PRO 108 -7.208 -7.713 -6.703 838 HD3 PRO 108 2HD PRO 108 -6.315 -8.369 -5.307 839 H VAL 109 H VAL 109 -5.994 -4.383 -8.684 840 HA VAL 109 HA VAL 109 -8.174 -2.573 -7.962 841 HB VAL 109 HB VAL 109 -5.761 -1.515 -9.531 842 HG11 VAL 109 1HG1 VAL 109 -7.016 0.647 -9.610 843 HG12 VAL 109 2HG1 VAL 109 -8.411 -0.144 -8.863 844 HG13 VAL 109 3HG1 VAL 109 -7.862 -0.648 -10.462 845 HG21 VAL 109 3HG2 VAL 109 -5.270 -1.512 -7.132 846 HG22 VAL 109 1HG2 VAL 109 -6.813 -0.728 -6.773 847 HG23 VAL 109 2HG2 VAL 109 -5.547 0.151 -7.654 Start of MODEL 17 1 H1 MET 1 1H MET 1 -6.117 11.932 -40.756 2 H2 MET 1 2H MET 1 -4.761 11.177 -41.418 3 H3 MET 1 3H MET 1 -4.878 11.374 -39.747 4 HA MET 1 HA MET 1 -6.755 9.911 -39.646 5 HB2 MET 1 1HB MET 1 -6.292 9.632 -42.650 6 HB3 MET 1 2HB MET 1 -7.315 8.548 -41.717 7 HG2 MET 1 1HG MET 1 -8.756 10.478 -41.108 8 HG3 MET 1 2HG MET 1 -7.768 11.508 -42.152 9 HE1 MET 1 3HE MET 1 -10.066 12.215 -43.456 10 HE2 MET 1 1HE MET 1 -10.972 11.146 -42.386 11 HE3 MET 1 2HE MET 1 -11.179 11.024 -44.134 12 H GLY 2 H GLY 2 -5.587 8.634 -38.326 13 HA2 GLY 2 1HA GLY 2 -4.187 6.352 -39.256 14 HA3 GLY 2 2HA GLY 2 -3.028 7.581 -38.749 15 H HIS 3 H HIS 3 -6.205 6.612 -37.481 16 HA HIS 3 HA HIS 3 -5.419 6.714 -34.753 17 HB2 HIS 3 1HB HIS 3 -7.658 5.814 -34.249 18 HB3 HIS 3 2HB HIS 3 -7.755 7.096 -35.440 19 HD1 HIS 3 HD1 HIS 3 -9.498 4.234 -34.769 20 HD2 HIS 3 HD2 HIS 3 -7.578 5.516 -38.218 21 HE1 HIS 3 HE1 HIS 3 -10.547 2.938 -36.640 22 HE2 HIS 3 HE2 HIS 3 -9.220 3.576 -38.680 23 H HIS 4 H HIS 4 -3.784 5.401 -34.142 24 HA HIS 4 HA HIS 4 -4.228 2.473 -34.203 25 HB2 HIS 4 1HB HIS 4 -1.582 3.896 -34.791 26 HB3 HIS 4 2HB HIS 4 -1.713 2.174 -34.450 27 HD1 HIS 4 HD1 HIS 4 -2.652 0.659 -36.324 28 HD2 HIS 4 HD2 HIS 4 -2.417 4.672 -37.362 29 HE1 HIS 4 HE1 HIS 4 -3.044 0.740 -38.796 30 HE2 HIS 4 HE2 HIS 4 -3.062 3.185 -39.369 31 H HIS 5 H HIS 5 -4.802 2.224 -32.083 32 HA HIS 5 HA HIS 5 -3.568 3.708 -29.951 33 HB2 HIS 5 1HB HIS 5 -4.966 2.404 -28.415 34 HB3 HIS 5 2HB HIS 5 -5.912 3.034 -29.749 35 HD1 HIS 5 HD1 HIS 5 -7.249 1.368 -31.105 36 HD2 HIS 5 HD2 HIS 5 -4.610 -0.459 -28.465 37 HE1 HIS 5 HE1 HIS 5 -7.869 -1.069 -31.110 38 HE2 HIS 5 HE2 HIS 5 -6.169 -2.169 -29.613 39 H HIS 6 H HIS 6 -1.554 3.369 -29.361 40 HA HIS 6 HA HIS 6 -0.614 0.685 -28.615 41 HB2 HIS 6 1HB HIS 6 0.871 2.521 -30.549 42 HB3 HIS 6 2HB HIS 6 1.668 1.225 -29.663 43 HD1 HIS 6 HD1 HIS 6 0.748 -1.254 -30.204 44 HD2 HIS 6 HD2 HIS 6 -0.311 1.721 -32.903 45 HE1 HIS 6 HE1 HIS 6 0.016 -2.465 -32.277 46 HE2 HIS 6 HE2 HIS 6 -0.644 -0.644 -33.884 47 H HIS 7 H HIS 7 1.350 0.803 -27.258 48 HA HIS 7 HA HIS 7 2.711 1.588 -25.645 49 HB2 HIS 7 1HB HIS 7 3.468 3.171 -27.368 50 HB3 HIS 7 2HB HIS 7 2.171 4.282 -26.967 51 HD1 HIS 7 HD1 HIS 7 2.735 6.069 -25.319 52 HD2 HIS 7 HD2 HIS 7 5.468 2.940 -25.214 53 HE1 HIS 7 HE1 HIS 7 4.544 6.817 -23.747 54 HE2 HIS 7 HE2 HIS 7 6.093 4.839 -23.572 55 H HIS 8 H HIS 8 -0.439 1.799 -25.466 56 HA HIS 8 HA HIS 8 -0.550 3.231 -22.870 57 HB2 HIS 8 1HB HIS 8 -1.673 4.649 -24.522 58 HB3 HIS 8 2HB HIS 8 -2.611 3.287 -25.121 59 HD1 HIS 8 HD1 HIS 8 -4.683 2.592 -23.805 60 HD2 HIS 8 HD2 HIS 8 -2.625 5.759 -22.067 61 HE1 HIS 8 HE1 HIS 8 -6.206 3.482 -22.022 62 HE2 HIS 8 HE2 HIS 8 -4.951 5.406 -20.990 63 H SER 9 H SER 9 -0.399 1.405 -21.638 64 HA SER 9 HA SER 9 -2.720 -0.382 -21.544 65 HB2 SER 9 1HB SER 9 0.141 -1.453 -21.602 66 HB3 SER 9 2HB SER 9 -1.336 -2.415 -21.480 67 HG SER 9 HG SER 9 -1.816 -1.213 -23.606 68 H HIS 10 H HIS 10 0.545 -0.122 -20.080 69 HA HIS 10 HA HIS 10 1.321 -0.098 -17.957 70 HB2 HIS 10 1HB HIS 10 -1.173 1.575 -17.399 71 HB3 HIS 10 2HB HIS 10 0.251 1.488 -16.368 72 HD1 HIS 10 HD1 HIS 10 2.231 2.967 -16.973 73 HD2 HIS 10 HD2 HIS 10 -0.782 3.073 -19.833 74 HE1 HIS 10 HE1 HIS 10 2.852 4.832 -18.529 75 HE2 HIS 10 HE2 HIS 10 1.052 4.844 -20.284 76 H MET 11 H MET 11 0.542 -2.447 -18.309 77 HA MET 11 HA MET 11 -1.821 -3.379 -16.982 78 HB2 MET 11 1HB MET 11 -0.961 -4.447 -19.061 79 HB3 MET 11 2HB MET 11 0.481 -4.975 -18.200 80 HG2 MET 11 1HG MET 11 -0.887 -6.405 -16.760 81 HG3 MET 11 2HG MET 11 -2.351 -5.836 -17.561 82 HE1 MET 11 3HE MET 11 -1.527 -8.969 -17.210 83 HE2 MET 11 1HE MET 11 -1.985 -9.585 -18.803 84 HE3 MET 11 2HE MET 11 -3.032 -8.437 -17.966 85 H SER 12 H SER 12 -1.485 -2.615 -14.895 86 HA SER 12 HA SER 12 -0.745 -4.457 -12.957 87 HB2 SER 12 1HB SER 12 1.634 -3.846 -13.573 88 HB3 SER 12 2HB SER 12 1.302 -2.173 -13.140 89 HG SER 12 HG SER 12 2.347 -3.408 -11.473 90 H TRP 13 H TRP 13 -0.710 -3.342 -10.714 91 HA TRP 13 HA TRP 13 -2.509 -1.022 -10.566 92 HB2 TRP 13 1HB TRP 13 -2.175 -1.622 -7.987 93 HB3 TRP 13 2HB TRP 13 -3.251 -2.572 -8.991 94 HD1 TRP 13 HD1 TRP 13 -2.699 -5.069 -9.347 95 HE1 TRP 13 HE1 TRP 13 -0.948 -6.674 -8.418 96 HE3 TRP 13 HE3 TRP 13 0.420 -1.676 -7.172 97 HZ2 TRP 13 HZ2 TRP 13 1.463 -6.540 -6.999 98 HZ3 TRP 13 HZ3 TRP 13 2.452 -2.504 -6.071 99 HH2 TRP 13 HH2 TRP 13 2.954 -4.885 -5.984 100 H TYR 14 H TYR 14 0.763 -2.008 -10.248 101 HA TYR 14 HA TYR 14 1.765 0.291 -8.873 102 HB2 TYR 14 1HB TYR 14 3.116 -1.734 -8.846 103 HB3 TYR 14 2HB TYR 14 3.196 -1.768 -10.609 104 HD1 TYR 14 HD1 TYR 14 4.201 0.326 -7.641 105 HD2 TYR 14 HD2 TYR 14 4.986 -0.632 -11.735 106 HE1 TYR 14 HE1 TYR 14 6.203 1.757 -7.598 107 HE2 TYR 14 HE2 TYR 14 6.985 0.784 -11.681 108 HH TYR 14 HH TYR 14 8.358 1.961 -8.852 109 H HIS 15 H HIS 15 1.440 2.271 -9.747 110 HA HIS 15 HA HIS 15 2.210 2.773 -12.562 111 HB2 HIS 15 1HB HIS 15 -0.032 4.158 -10.992 112 HB3 HIS 15 2HB HIS 15 0.435 4.508 -12.655 113 HD1 HIS 15 HD1 HIS 15 0.040 2.384 -14.355 114 HD2 HIS 15 HD2 HIS 15 -2.034 2.327 -10.759 115 HE1 HIS 15 HE1 HIS 15 -1.848 0.767 -14.698 116 HE2 HIS 15 HE2 HIS 15 -2.965 0.611 -12.445 117 H ARG 16 H ARG 16 3.983 4.123 -12.551 118 HA ARG 16 HA ARG 16 5.125 5.167 -10.206 119 HB2 ARG 16 1HB ARG 16 6.521 4.728 -12.157 120 HB3 ARG 16 2HB ARG 16 5.653 5.937 -13.104 121 HG2 ARG 16 1HG ARG 16 6.510 7.716 -11.581 122 HG3 ARG 16 2HG ARG 16 7.398 6.491 -10.674 123 HD2 ARG 16 1HD ARG 16 7.852 7.168 -13.599 124 HD3 ARG 16 2HD ARG 16 8.828 7.758 -12.250 125 HE ARG 16 HE ARG 16 8.570 4.882 -12.888 126 HH11 ARG 16 1HH1 ARG 16 10.627 7.621 -12.087 127 HH12 ARG 16 2HH1 ARG 16 12.081 6.679 -12.079 128 HH21 ARG 16 1HH2 ARG 16 10.477 3.651 -12.843 129 HH22 ARG 16 2HH2 ARG 16 11.992 4.421 -12.492 130 H ASP 17 H ASP 17 3.940 7.268 -12.931 131 HA ASP 17 HA ASP 17 3.665 9.514 -11.133 132 HB2 ASP 17 1HB ASP 17 3.057 9.338 -14.124 133 HB3 ASP 17 2HB ASP 17 3.372 10.795 -13.185 134 H LEU 18 H LEU 18 1.886 7.980 -10.069 135 HA LEU 18 HA LEU 18 -0.691 8.054 -11.427 136 HB2 LEU 18 1HB LEU 18 0.123 6.002 -10.208 137 HB3 LEU 18 2HB LEU 18 0.052 6.905 -8.706 138 HG LEU 18 HG LEU 18 -2.400 7.083 -8.871 139 HD11 LEU 18 1HD1 LEU 18 -2.653 7.236 -11.295 140 HD12 LEU 18 2HD1 LEU 18 -3.682 5.969 -10.638 141 HD13 LEU 18 3HD1 LEU 18 -2.190 5.537 -11.481 142 HD21 LEU 18 3HD2 LEU 18 -1.473 5.103 -7.749 143 HD22 LEU 18 1HD2 LEU 18 -1.473 4.208 -9.273 144 HD23 LEU 18 2HD2 LEU 18 -2.997 4.724 -8.542 145 H SER 19 H SER 19 0.420 8.877 -8.146 146 HA SER 19 HA SER 19 0.410 10.851 -6.973 147 HB2 SER 19 1HB SER 19 -1.953 11.806 -8.649 148 HB3 SER 19 2HB SER 19 -1.154 12.720 -7.366 149 HG SER 19 HG SER 19 0.295 11.758 -9.594 150 H ARG 20 H ARG 20 -0.809 11.212 -5.038 151 HA ARG 20 HA ARG 20 -2.199 8.990 -4.091 152 HB2 ARG 20 1HB ARG 20 -1.066 10.473 -2.533 153 HB3 ARG 20 2HB ARG 20 -2.100 11.824 -2.983 154 HG2 ARG 20 1HG ARG 20 -4.064 10.589 -2.028 155 HG3 ARG 20 2HG ARG 20 -2.968 9.314 -1.498 156 HD2 ARG 20 1HD ARG 20 -1.895 10.787 0.066 157 HD3 ARG 20 2HD ARG 20 -2.706 12.204 -0.611 158 HE ARG 20 HE ARG 20 -4.805 10.733 0.171 159 HH11 ARG 20 1HH1 ARG 20 -1.863 11.506 1.936 160 HH12 ARG 20 2HH1 ARG 20 -2.666 11.576 3.471 161 HH21 ARG 20 1HH2 ARG 20 -5.826 10.851 2.208 162 HH22 ARG 20 2HH2 ARG 20 -4.890 11.212 3.621 163 H ALA 21 H ALA 21 -3.481 12.151 -5.088 164 HA ALA 21 HA ALA 21 -6.175 11.880 -4.549 165 HB1 ALA 21 3HB ALA 21 -5.166 13.977 -5.342 166 HB2 ALA 21 1HB ALA 21 -6.575 13.560 -6.322 167 HB3 ALA 21 2HB ALA 21 -4.946 13.283 -6.950 168 H ALA 22 H ALA 22 -4.497 10.898 -7.546 169 HA ALA 22 HA ALA 22 -6.771 9.735 -8.832 170 HB1 ALA 22 3HB ALA 22 -4.791 10.470 -10.103 171 HB2 ALA 22 1HB ALA 22 -5.147 8.769 -10.410 172 HB3 ALA 22 2HB ALA 22 -3.818 9.214 -9.335 173 H ALA 23 H ALA 23 -4.234 8.466 -6.734 174 HA ALA 23 HA ALA 23 -4.598 5.704 -7.082 175 HB1 ALA 23 3HB ALA 23 -3.337 5.498 -4.954 176 HB2 ALA 23 1HB ALA 23 -3.541 7.230 -4.671 177 HB3 ALA 23 2HB ALA 23 -2.598 6.661 -6.053 178 H GLU 24 H GLU 24 -5.635 7.635 -4.253 179 HA GLU 24 HA GLU 24 -7.385 5.830 -3.080 180 HB2 GLU 24 1HB GLU 24 -8.291 7.782 -1.850 181 HB3 GLU 24 2HB GLU 24 -6.534 7.823 -1.922 182 HG2 GLU 24 1HG GLU 24 -6.637 9.486 -3.739 183 HG3 GLU 24 2HG GLU 24 -8.391 9.438 -3.697 184 H GLU 25 H GLU 25 -7.919 8.052 -5.738 185 HA GLU 25 HA GLU 25 -10.778 7.979 -5.812 186 HB2 GLU 25 1HB GLU 25 -8.902 9.466 -7.127 187 HB3 GLU 25 2HB GLU 25 -9.277 8.335 -8.408 188 HG2 GLU 25 1HG GLU 25 -11.222 10.191 -7.001 189 HG3 GLU 25 2HG GLU 25 -10.552 10.416 -8.614 190 H LEU 26 H LEU 26 -8.283 6.135 -7.560 191 HA LEU 26 HA LEU 26 -9.905 4.409 -9.062 192 HB2 LEU 26 1HB LEU 26 -7.106 3.960 -7.958 193 HB3 LEU 26 2HB LEU 26 -7.877 2.862 -9.092 194 HG LEU 26 HG LEU 26 -7.165 5.768 -9.660 195 HD11 LEU 26 1HD1 LEU 26 -5.167 4.380 -9.483 196 HD12 LEU 26 2HD1 LEU 26 -5.435 4.878 -11.152 197 HD13 LEU 26 3HD1 LEU 26 -5.829 3.229 -10.649 198 HD21 LEU 26 3HD2 LEU 26 -7.782 5.297 -11.988 199 HD22 LEU 26 1HD2 LEU 26 -9.159 5.099 -10.908 200 HD23 LEU 26 2HD2 LEU 26 -8.320 3.677 -11.534 201 H LEU 27 H LEU 27 -8.753 4.122 -5.715 202 HA LEU 27 HA LEU 27 -9.724 1.472 -5.269 203 HB2 LEU 27 1HB LEU 27 -9.331 3.700 -3.236 204 HB3 LEU 27 2HB LEU 27 -9.448 1.982 -2.889 205 HG LEU 27 HG LEU 27 -7.184 3.301 -4.416 206 HD11 LEU 27 1HD1 LEU 27 -5.800 2.873 -2.453 207 HD12 LEU 27 2HD1 LEU 27 -7.211 2.261 -1.583 208 HD13 LEU 27 3HD1 LEU 27 -7.142 3.953 -2.081 209 HD21 LEU 27 3HD2 LEU 27 -7.409 0.439 -3.483 210 HD22 LEU 27 1HD2 LEU 27 -5.997 1.180 -4.241 211 HD23 LEU 27 2HD2 LEU 27 -7.493 1.002 -5.154 212 H ALA 28 H ALA 28 -11.032 4.721 -4.546 213 HA ALA 28 HA ALA 28 -13.249 3.920 -3.024 214 HB1 ALA 28 3HB ALA 28 -12.857 6.507 -4.564 215 HB2 ALA 28 1HB ALA 28 -12.277 6.172 -2.933 216 HB3 ALA 28 2HB ALA 28 -14.011 6.251 -3.250 217 H ARG 29 H ARG 29 -12.988 4.522 -6.524 218 HA ARG 29 HA ARG 29 -15.815 3.839 -6.937 219 HB2 ARG 29 1HB ARG 29 -13.705 4.902 -8.825 220 HB3 ARG 29 2HB ARG 29 -15.255 4.298 -9.409 221 HG2 ARG 29 1HG ARG 29 -16.421 5.979 -7.985 222 HG3 ARG 29 2HG ARG 29 -14.849 6.604 -7.473 223 HD2 ARG 29 1HD ARG 29 -14.321 7.283 -9.742 224 HD3 ARG 29 2HD ARG 29 -15.795 6.526 -10.357 225 HE ARG 29 HE ARG 29 -16.945 8.241 -8.785 226 HH11 ARG 29 1HH1 ARG 29 -13.970 8.907 -10.544 227 HH12 ARG 29 2HH1 ARG 29 -14.341 10.588 -10.777 228 HH21 ARG 29 1HH2 ARG 29 -17.419 10.442 -9.081 229 HH22 ARG 29 2HH2 ARG 29 -16.302 11.461 -9.933 230 H ALA 30 H ALA 30 -12.616 2.590 -8.134 231 HA ALA 30 HA ALA 30 -13.939 0.622 -9.775 232 HB1 ALA 30 3HB ALA 30 -10.979 0.820 -9.151 233 HB2 ALA 30 1HB ALA 30 -11.806 1.678 -10.454 234 HB3 ALA 30 2HB ALA 30 -11.719 -0.083 -10.476 235 H GLY 31 H GLY 31 -11.644 0.210 -6.960 236 HA2 GLY 31 1HA GLY 31 -12.683 -2.552 -6.621 237 HA3 GLY 31 2HA GLY 31 -11.013 -2.058 -6.357 238 H ARG 32 H ARG 32 -14.078 -2.350 -5.000 239 HA ARG 32 HA ARG 32 -14.071 -0.601 -2.840 240 HB2 ARG 32 1HB ARG 32 -15.994 -2.030 -3.668 241 HB3 ARG 32 2HB ARG 32 -15.301 -3.383 -2.774 242 HG2 ARG 32 1HG ARG 32 -15.576 -2.109 -0.660 243 HG3 ARG 32 2HG ARG 32 -16.282 -0.763 -1.561 244 HD2 ARG 32 1HD ARG 32 -18.199 -2.127 -2.192 245 HD3 ARG 32 2HD ARG 32 -17.454 -3.571 -1.500 246 HE ARG 32 HE ARG 32 -17.999 -2.853 0.624 247 HH11 ARG 32 1HH1 ARG 32 -18.894 -0.334 -1.680 248 HH12 ARG 32 2HH1 ARG 32 -19.800 0.565 -0.508 249 HH21 ARG 32 1HH2 ARG 32 -19.202 -1.663 2.117 250 HH22 ARG 32 2HH2 ARG 32 -19.964 -0.185 1.631 251 H ASP 33 H ASP 33 -14.244 -3.395 -0.905 252 HA ASP 33 HA ASP 33 -12.043 -2.351 0.620 253 HB2 ASP 33 1HB ASP 33 -13.744 -4.822 1.184 254 HB3 ASP 33 2HB ASP 33 -12.693 -3.996 2.338 255 H GLY 34 H GLY 34 -10.178 -3.479 1.370 256 HA2 GLY 34 1HA GLY 34 -8.298 -4.748 1.132 257 HA3 GLY 34 2HA GLY 34 -9.276 -5.963 0.335 258 H SER 35 H SER 35 -9.308 -2.827 -1.073 259 HA SER 35 HA SER 35 -7.884 -3.736 -3.437 260 HB2 SER 35 1HB SER 35 -8.407 -1.431 -4.278 261 HB3 SER 35 2HB SER 35 -9.833 -2.294 -3.743 262 HG SER 35 HG SER 35 -10.162 -0.591 -2.603 263 H PHE 36 H PHE 36 -5.793 -3.146 -4.015 264 HA PHE 36 HA PHE 36 -4.428 -1.040 -2.495 265 HB2 PHE 36 1HB PHE 36 -2.528 -2.390 -1.912 266 HB3 PHE 36 2HB PHE 36 -3.943 -3.280 -1.376 267 HD1 PHE 36 HD2 PHE 36 -4.802 -5.211 -2.902 268 HD2 PHE 36 HD1 PHE 36 -0.941 -3.424 -3.355 269 HE1 PHE 36 HE2 PHE 36 -4.039 -7.161 -4.192 270 HE2 PHE 36 HE1 PHE 36 -0.197 -5.375 -4.645 271 HZ PHE 36 HZ PHE 36 -1.739 -7.240 -5.061 272 H LEU 37 H LEU 37 -2.901 0.026 -3.654 273 HA LEU 37 HA LEU 37 -1.641 -1.160 -5.974 274 HB2 LEU 37 1HB LEU 37 -2.053 1.023 -7.309 275 HB3 LEU 37 2HB LEU 37 -3.363 -0.132 -7.194 276 HG LEU 37 HG LEU 37 -4.336 1.315 -5.322 277 HD11 LEU 37 1HD1 LEU 37 -2.393 2.631 -4.739 278 HD12 LEU 37 2HD1 LEU 37 -3.725 3.666 -5.239 279 HD13 LEU 37 3HD1 LEU 37 -2.378 3.371 -6.343 280 HD21 LEU 37 3HD2 LEU 37 -5.410 2.882 -6.867 281 HD22 LEU 37 1HD2 LEU 37 -5.306 1.265 -7.558 282 HD23 LEU 37 2HD2 LEU 37 -4.194 2.524 -8.099 283 H VAL 38 H VAL 38 0.323 -0.053 -6.529 284 HA VAL 38 HA VAL 38 1.428 1.626 -4.358 285 HB VAL 38 HB VAL 38 2.926 -0.430 -6.064 286 HG11 VAL 38 1HG1 VAL 38 4.369 1.546 -5.722 287 HG12 VAL 38 2HG1 VAL 38 4.960 0.196 -4.752 288 HG13 VAL 38 3HG1 VAL 38 4.053 1.504 -3.983 289 HG21 VAL 38 3HG2 VAL 38 2.424 -0.345 -3.053 290 HG22 VAL 38 1HG2 VAL 38 3.389 -1.560 -3.899 291 HG23 VAL 38 2HG2 VAL 38 1.654 -1.448 -4.197 292 H ARG 39 H ARG 39 2.116 3.515 -4.940 293 HA ARG 39 HA ARG 39 2.607 4.200 -7.775 294 HB2 ARG 39 1HB ARG 39 2.044 6.566 -7.082 295 HB3 ARG 39 2HB ARG 39 0.675 5.462 -7.019 296 HG2 ARG 39 1HG ARG 39 0.644 5.424 -4.654 297 HG3 ARG 39 2HG ARG 39 2.290 6.041 -4.522 298 HD2 ARG 39 1HD ARG 39 -0.089 7.652 -5.528 299 HD3 ARG 39 2HD ARG 39 0.572 7.725 -3.887 300 HE ARG 39 HE ARG 39 2.418 8.267 -6.090 301 HH11 ARG 39 1HH1 ARG 39 0.506 9.622 -3.488 302 HH12 ARG 39 2HH1 ARG 39 1.286 11.169 -3.569 303 HH21 ARG 39 1HH2 ARG 39 3.439 10.281 -6.168 304 HH22 ARG 39 2HH2 ARG 39 2.921 11.552 -5.106 305 H ASP 40 H ASP 40 4.197 5.993 -7.971 306 HA ASP 40 HA ASP 40 6.493 5.683 -6.172 307 HB2 ASP 40 1HB ASP 40 6.621 5.938 -8.752 308 HB3 ASP 40 2HB ASP 40 6.237 7.630 -8.505 309 H SER 41 H SER 41 6.946 7.110 -4.569 310 HA SER 41 HA SER 41 5.046 8.858 -3.513 311 HB2 SER 41 1HB SER 41 6.796 9.512 -1.925 312 HB3 SER 41 2HB SER 41 6.902 7.780 -2.235 313 HG SER 41 HG SER 41 8.496 8.508 -3.948 314 H GLU 42 H GLU 42 5.127 11.172 -3.205 315 HA GLU 42 HA GLU 42 5.345 12.513 -5.706 316 HB2 GLU 42 1HB GLU 42 3.554 12.812 -3.882 317 HB3 GLU 42 2HB GLU 42 4.725 13.804 -3.023 318 HG2 GLU 42 1HG GLU 42 3.170 15.198 -4.270 319 HG3 GLU 42 2HG GLU 42 4.803 15.370 -4.930 320 H SER 43 H SER 43 7.641 12.306 -6.075 321 HA SER 43 HA SER 43 9.777 13.025 -6.272 322 HB2 SER 43 1HB SER 43 8.507 15.674 -5.478 323 HB3 SER 43 2HB SER 43 10.076 15.498 -6.273 324 HG SER 43 HG SER 43 8.543 14.169 -7.817 325 H VAL 44 H VAL 44 9.108 11.932 -3.670 326 HA VAL 44 HA VAL 44 10.025 13.538 -1.524 327 HB VAL 44 HB VAL 44 9.592 10.520 -1.606 328 HG11 VAL 44 1HG1 VAL 44 9.558 10.610 0.897 329 HG12 VAL 44 2HG1 VAL 44 10.030 12.307 0.837 330 HG13 VAL 44 3HG1 VAL 44 11.138 11.065 0.257 331 HG21 VAL 44 3HG2 VAL 44 7.445 11.058 -0.455 332 HG22 VAL 44 1HG2 VAL 44 7.545 11.841 -2.036 333 HG23 VAL 44 2HG2 VAL 44 7.818 12.779 -0.565 334 H ALA 45 H ALA 45 11.602 10.453 -2.590 335 HA ALA 45 HA ALA 45 14.208 11.530 -2.871 336 HB1 ALA 45 3HB ALA 45 15.266 10.627 -0.843 337 HB2 ALA 45 1HB ALA 45 13.694 10.086 -0.244 338 HB3 ALA 45 2HB ALA 45 14.033 11.809 -0.411 339 H GLY 46 H GLY 46 12.494 9.757 -4.274 340 HA2 GLY 46 1HA GLY 46 12.618 7.805 -5.496 341 HA3 GLY 46 2HA GLY 46 14.118 7.402 -4.668 342 H ALA 47 H ALA 47 11.002 8.126 -3.220 343 HA ALA 47 HA ALA 47 10.999 5.538 -1.816 344 HB1 ALA 47 3HB ALA 47 9.415 6.640 -0.272 345 HB2 ALA 47 1HB ALA 47 9.442 8.092 -1.273 346 HB3 ALA 47 2HB ALA 47 10.905 7.570 -0.436 347 H PHE 48 H PHE 48 8.791 4.660 -1.402 348 HA PHE 48 HA PHE 48 6.966 4.843 -3.739 349 HB2 PHE 48 1HB PHE 48 7.730 2.316 -2.190 350 HB3 PHE 48 2HB PHE 48 6.513 2.396 -3.465 351 HD1 PHE 48 HD2 PHE 48 7.178 2.710 -5.828 352 HD2 PHE 48 HD1 PHE 48 10.130 2.356 -2.744 353 HE1 PHE 48 HE2 PHE 48 8.922 2.370 -7.527 354 HE2 PHE 48 HE1 PHE 48 11.867 2.025 -4.453 355 HZ PHE 48 HZ PHE 48 11.267 2.035 -6.845 356 H ALA 49 H ALA 49 4.737 4.290 -3.266 357 HA ALA 49 HA ALA 49 3.906 4.578 -0.444 358 HB1 ALA 49 3HB ALA 49 3.778 6.817 -1.469 359 HB2 ALA 49 1HB ALA 49 2.164 6.200 -1.112 360 HB3 ALA 49 2HB ALA 49 2.772 6.180 -2.770 361 H LEU 50 H LEU 50 1.952 3.594 0.035 362 HA LEU 50 HA LEU 50 0.800 1.731 -1.964 363 HB2 LEU 50 1HB LEU 50 2.272 0.439 -0.466 364 HB3 LEU 50 2HB LEU 50 1.536 1.175 0.949 365 HG LEU 50 HG LEU 50 -0.609 0.002 0.437 366 HD11 LEU 50 1HD1 LEU 50 -0.409 -0.228 -1.984 367 HD12 LEU 50 2HD1 LEU 50 -0.727 -1.783 -1.220 368 HD13 LEU 50 3HD1 LEU 50 0.902 -1.395 -1.784 369 HD21 LEU 50 3HD2 LEU 50 0.957 -1.009 2.012 370 HD22 LEU 50 1HD2 LEU 50 1.772 -1.861 0.694 371 HD23 LEU 50 2HD2 LEU 50 0.098 -2.250 1.105 372 H CYS 51 H CYS 51 -1.372 2.016 -2.120 373 HA CYS 51 HA CYS 51 -2.797 3.520 0.003 374 HB2 CYS 51 1HB CYS 51 -3.420 3.509 -2.988 375 HB3 CYS 51 2HB CYS 51 -4.194 4.501 -1.748 376 HG CYS 51 HG CYS 51 -0.860 4.764 -2.376 377 H VAL 52 H VAL 52 -4.348 2.351 0.968 378 HA VAL 52 HA VAL 52 -5.507 -0.035 -0.358 379 HB VAL 52 HB VAL 52 -4.609 0.048 2.572 380 HG11 VAL 52 1HG1 VAL 52 -6.606 -1.352 2.272 381 HG12 VAL 52 2HG1 VAL 52 -5.209 -2.361 2.640 382 HG13 VAL 52 3HG1 VAL 52 -5.812 -2.262 0.983 383 HG21 VAL 52 3HG2 VAL 52 -2.639 -0.105 1.110 384 HG22 VAL 52 1HG2 VAL 52 -3.338 -1.490 0.268 385 HG23 VAL 52 2HG2 VAL 52 -2.884 -1.625 1.970 386 H LEU 53 H LEU 53 -7.709 0.030 -0.317 387 HA LEU 53 HA LEU 53 -9.092 1.961 1.434 388 HB2 LEU 53 1HB LEU 53 -9.650 2.115 -0.941 389 HB3 LEU 53 2HB LEU 53 -10.007 0.403 -1.010 390 HG LEU 53 HG LEU 53 -11.977 0.781 0.512 391 HD11 LEU 53 1HD1 LEU 53 -12.838 3.036 0.879 392 HD12 LEU 53 2HD1 LEU 53 -11.407 3.729 0.112 393 HD13 LEU 53 3HD1 LEU 53 -11.255 2.832 1.626 394 HD21 LEU 53 3HD2 LEU 53 -13.449 1.736 -1.190 395 HD22 LEU 53 1HD2 LEU 53 -12.282 0.633 -1.920 396 HD23 LEU 53 2HD2 LEU 53 -12.055 2.378 -2.067 397 H TYR 54 H TYR 54 -10.468 1.331 2.983 398 HA TYR 54 HA TYR 54 -11.753 -1.235 3.080 399 HB2 TYR 54 1HB TYR 54 -9.482 -1.730 4.070 400 HB3 TYR 54 2HB TYR 54 -9.780 -0.509 5.304 401 HD1 TYR 54 HD1 TYR 54 -11.680 -3.418 3.846 402 HD2 TYR 54 HD2 TYR 54 -10.351 -1.450 7.405 403 HE1 TYR 54 HE1 TYR 54 -12.750 -5.157 5.205 404 HE2 TYR 54 HE2 TYR 54 -11.431 -3.190 8.771 405 HH TYR 54 HH TYR 54 -13.217 -4.872 8.580 406 H GLN 55 H GLN 55 -13.719 -0.825 3.842 407 HA GLN 55 HA GLN 55 -15.559 0.195 4.697 408 HB2 GLN 55 1HB GLN 55 -13.698 0.585 7.080 409 HB3 GLN 55 2HB GLN 55 -15.453 0.634 7.153 410 HG2 GLN 55 1HG GLN 55 -13.925 -1.821 6.262 411 HG3 GLN 55 2HG GLN 55 -14.318 -1.498 7.945 412 HE21 GLN 55 2HE2 GLN 55 -15.527 -3.428 8.051 413 HE22 GLN 55 1HE2 GLN 55 -17.092 -3.569 7.328 414 H LYS 56 H LYS 56 -14.729 1.940 2.934 415 HA LYS 56 HA LYS 56 -14.434 4.015 2.206 416 HB2 LYS 56 1HB LYS 56 -16.751 4.075 3.296 417 HB3 LYS 56 2HB LYS 56 -16.007 4.892 4.667 418 HG2 LYS 56 1HG LYS 56 -15.331 6.764 3.199 419 HG3 LYS 56 2HG LYS 56 -16.045 5.938 1.806 420 HD2 LYS 56 1HD LYS 56 -18.276 6.080 2.876 421 HD3 LYS 56 2HD LYS 56 -17.559 6.894 4.272 422 HE2 LYS 56 1HE LYS 56 -16.895 8.782 2.826 423 HE3 LYS 56 2HE LYS 56 -17.593 7.965 1.426 424 HZ1 LYS 56 3HZ LYS 56 -19.080 9.642 2.349 425 HZ2 LYS 56 1HZ LYS 56 -19.106 8.833 3.832 426 HZ3 LYS 56 2HZ LYS 56 -19.758 8.095 2.458 427 H HIS 57 H HIS 57 -12.216 3.131 3.584 428 HA HIS 57 HA HIS 57 -11.008 5.662 4.467 429 HB2 HIS 57 1HB HIS 57 -11.651 4.459 6.569 430 HB3 HIS 57 2HB HIS 57 -10.671 3.085 6.070 431 HD1 HIS 57 HD1 HIS 57 -10.460 6.433 7.642 432 HD2 HIS 57 HD2 HIS 57 -7.834 3.556 6.202 433 HE1 HIS 57 HE1 HIS 57 -8.207 7.077 8.538 434 HE2 HIS 57 HE2 HIS 57 -6.669 5.236 7.775 435 H VAL 58 H VAL 58 -9.686 5.875 2.746 436 HA VAL 58 HA VAL 58 -7.831 3.761 1.953 437 HB VAL 58 HB VAL 58 -8.009 6.684 1.065 438 HG11 VAL 58 1HG1 VAL 58 -6.219 4.451 -0.009 439 HG12 VAL 58 2HG1 VAL 58 -5.680 5.892 0.859 440 HG13 VAL 58 3HG1 VAL 58 -6.399 6.046 -0.745 441 HG21 VAL 58 3HG2 VAL 58 -9.942 5.355 0.309 442 HG22 VAL 58 1HG2 VAL 58 -8.861 4.138 -0.380 443 HG23 VAL 58 2HG2 VAL 58 -8.911 5.765 -1.062 444 H HIS 59 H HIS 59 -6.221 3.368 3.425 445 HA HIS 59 HA HIS 59 -4.842 5.622 4.732 446 HB2 HIS 59 1HB HIS 59 -5.474 3.506 6.046 447 HB3 HIS 59 2HB HIS 59 -4.288 2.637 5.090 448 HD1 HIS 59 HD1 HIS 59 -1.750 4.037 5.266 449 HD2 HIS 59 HD2 HIS 59 -4.454 4.211 8.417 450 HE1 HIS 59 HE1 HIS 59 -0.397 4.679 7.285 451 HE2 HIS 59 HE2 HIS 59 -2.062 4.825 9.168 452 H THR 60 H THR 60 -2.869 6.301 3.959 453 HA THR 60 HA THR 60 -1.639 4.810 1.722 454 HB THR 60 HB THR 60 -0.575 7.034 1.111 455 HG1 THR 60 HG1 THR 60 -0.776 8.110 3.102 456 HG21 THR 60 3HG2 THR 60 -3.618 7.086 1.144 457 HG22 THR 60 1HG2 THR 60 -2.619 6.296 -0.083 458 HG23 THR 60 2HG2 THR 60 -2.583 8.051 0.093 459 H TYR 61 H TYR 61 0.377 4.069 2.065 460 HA TYR 61 HA TYR 61 1.839 4.776 4.534 461 HB2 TYR 61 1HB TYR 61 2.212 2.174 2.964 462 HB3 TYR 61 2HB TYR 61 2.689 2.525 4.619 463 HD1 TYR 61 HD1 TYR 61 -0.238 1.787 2.430 464 HD2 TYR 61 HD2 TYR 61 1.176 2.040 6.455 465 HE1 TYR 61 HE1 TYR 61 -2.292 0.711 3.214 466 HE2 TYR 61 HE2 TYR 61 -0.884 0.949 7.241 467 HH TYR 61 HH TYR 61 -3.084 -0.574 5.101 468 H ARG 62 H ARG 62 3.126 6.413 3.650 469 HA ARG 62 HA ARG 62 4.436 6.059 1.062 470 HB2 ARG 62 1HB ARG 62 4.845 8.233 3.173 471 HB3 ARG 62 2HB ARG 62 5.419 8.277 1.505 472 HG2 ARG 62 1HG ARG 62 3.169 8.499 0.655 473 HG3 ARG 62 2HG ARG 62 2.474 8.165 2.248 474 HD2 ARG 62 1HD ARG 62 4.141 10.600 1.511 475 HD3 ARG 62 2HD ARG 62 2.387 10.563 1.711 476 HE ARG 62 HE ARG 62 2.741 10.035 4.073 477 HH11 ARG 62 1HH1 ARG 62 5.548 11.344 2.387 478 HH12 ARG 62 2HH1 ARG 62 6.282 11.944 3.838 479 HH21 ARG 62 1HH2 ARG 62 3.759 10.788 5.960 480 HH22 ARG 62 2HH2 ARG 62 5.274 11.621 5.852 481 H ILE 63 H ILE 63 5.570 4.142 1.548 482 HA ILE 63 HA ILE 63 7.511 3.867 3.529 483 HB ILE 63 HB ILE 63 7.063 2.418 0.883 484 HG12 ILE 63 1HG1 ILE 63 6.050 1.655 3.668 485 HG13 ILE 63 2HG1 ILE 63 5.093 2.591 2.528 486 HG21 ILE 63 1HG2 ILE 63 8.585 1.465 3.334 487 HG22 ILE 63 2HG2 ILE 63 9.297 1.902 1.780 488 HG23 ILE 63 3HG2 ILE 63 8.233 0.500 1.896 489 HD11 ILE 63 3HD1 ILE 63 4.413 0.290 2.523 490 HD12 ILE 63 1HD1 ILE 63 6.053 -0.239 2.142 491 HD13 ILE 63 2HD1 ILE 63 5.131 0.702 0.966 492 H LEU 64 H LEU 64 9.497 4.619 3.643 493 HA LEU 64 HA LEU 64 10.737 5.998 1.367 494 HB2 LEU 64 1HB LEU 64 11.204 6.132 4.369 495 HB3 LEU 64 2HB LEU 64 12.385 6.763 3.238 496 HG LEU 64 HG LEU 64 10.639 8.349 2.360 497 HD11 LEU 64 1HD1 LEU 64 8.597 7.185 2.992 498 HD12 LEU 64 2HD1 LEU 64 8.627 8.816 3.659 499 HD13 LEU 64 3HD1 LEU 64 8.964 7.433 4.704 500 HD21 LEU 64 3HD2 LEU 64 11.262 8.605 5.312 501 HD22 LEU 64 1HD2 LEU 64 10.755 9.918 4.242 502 HD23 LEU 64 2HD2 LEU 64 12.299 9.111 3.973 503 HA PRO 65 HA PRO 65 13.442 2.628 0.676 504 HB2 PRO 65 1HB PRO 65 15.386 3.748 -0.809 505 HB3 PRO 65 2HB PRO 65 13.700 3.836 -1.331 506 HG2 PRO 65 1HG PRO 65 15.356 5.934 0.079 507 HG3 PRO 65 2HG PRO 65 14.300 6.116 -1.340 508 HD2 PRO 65 1HD PRO 65 13.515 6.699 1.243 509 HD3 PRO 65 2HD PRO 65 12.390 6.244 -0.053 510 H ASP 66 H ASP 66 16.481 3.257 0.450 511 HA ASP 66 HA ASP 66 17.532 3.495 3.050 512 HB2 ASP 66 1HB ASP 66 16.361 1.388 3.553 513 HB3 ASP 66 2HB ASP 66 17.049 0.620 2.128 514 H GLY 67 H GLY 67 19.791 3.231 3.102 515 HA2 GLY 67 1HA GLY 67 21.242 3.953 0.864 516 HA3 GLY 67 2HA GLY 67 21.934 3.270 2.324 517 H GLU 68 H GLU 68 20.666 0.638 2.116 518 HA GLU 68 HA GLU 68 22.314 -0.535 -0.022 519 HB2 GLU 68 1HB GLU 68 21.034 -1.900 2.393 520 HB3 GLU 68 2HB GLU 68 22.296 -2.546 1.344 521 HG2 GLU 68 1HG GLU 68 22.594 -0.202 3.256 522 HG3 GLU 68 2HG GLU 68 23.179 -1.842 3.531 523 H ASP 69 H ASP 69 19.558 0.650 -0.406 524 HA ASP 69 HA ASP 69 17.670 0.351 -1.518 525 HB2 ASP 69 1HB ASP 69 19.161 -2.003 -2.731 526 HB3 ASP 69 2HB ASP 69 17.665 -1.341 -3.379 527 H PHE 70 H PHE 70 17.102 -0.404 0.916 528 HA PHE 70 HA PHE 70 15.215 -2.665 0.501 529 HB2 PHE 70 1HB PHE 70 16.477 -1.662 3.102 530 HB3 PHE 70 2HB PHE 70 15.142 -2.810 3.041 531 HD1 PHE 70 HD2 PHE 70 15.487 -5.106 2.140 532 HD2 PHE 70 HD1 PHE 70 18.764 -2.385 2.563 533 HE1 PHE 70 HE2 PHE 70 17.071 -6.967 1.882 534 HE2 PHE 70 HE1 PHE 70 20.337 -4.253 2.297 535 HZ PHE 70 HZ PHE 70 19.497 -6.541 1.955 536 H LEU 71 H LEU 71 13.043 -2.307 1.223 537 HA LEU 71 HA LEU 71 12.252 0.531 1.292 538 HB2 LEU 71 1HB LEU 71 10.563 -1.981 0.883 539 HB3 LEU 71 2HB LEU 71 9.961 -0.333 0.839 540 HG LEU 71 HG LEU 71 11.603 0.014 -1.165 541 HD11 LEU 71 1HD1 LEU 71 12.161 -1.970 -2.485 542 HD12 LEU 71 2HD1 LEU 71 11.511 -3.019 -1.221 543 HD13 LEU 71 3HD1 LEU 71 12.935 -2.024 -0.901 544 HD21 LEU 71 3HD2 LEU 71 9.190 -1.791 -1.546 545 HD22 LEU 71 1HD2 LEU 71 9.952 -0.783 -2.786 546 HD23 LEU 71 2HD2 LEU 71 9.156 -0.031 -1.406 547 H ALA 72 H ALA 72 12.197 1.323 3.296 548 HA ALA 72 HA ALA 72 11.577 -0.390 5.613 549 HB1 ALA 72 3HB ALA 72 13.687 0.894 5.693 550 HB2 ALA 72 1HB ALA 72 12.578 1.429 6.959 551 HB3 ALA 72 2HB ALA 72 12.794 2.404 5.502 552 H VAL 73 H VAL 73 9.600 -0.328 6.419 553 HA VAL 73 HA VAL 73 7.702 1.812 5.688 554 HB VAL 73 HB VAL 73 6.975 -0.856 6.982 555 HG11 VAL 73 1HG1 VAL 73 5.306 1.109 5.349 556 HG12 VAL 73 2HG1 VAL 73 5.227 0.880 7.099 557 HG13 VAL 73 3HG1 VAL 73 4.728 -0.420 6.017 558 HG21 VAL 73 3HG2 VAL 73 8.197 -1.393 4.910 559 HG22 VAL 73 1HG2 VAL 73 7.137 -0.321 3.987 560 HG23 VAL 73 2HG2 VAL 73 6.482 -1.778 4.738 561 H GLN 74 H GLN 74 6.542 2.898 7.220 562 HA GLN 74 HA GLN 74 7.374 2.677 10.061 563 HB2 GLN 74 1HB GLN 74 6.344 5.149 8.567 564 HB3 GLN 74 2HB GLN 74 6.709 5.076 10.286 565 HG2 GLN 74 1HG GLN 74 8.717 4.741 8.047 566 HG3 GLN 74 2HG GLN 74 8.483 6.208 8.985 567 HE21 GLN 74 2HE2 GLN 74 9.207 6.243 11.171 568 HE22 GLN 74 1HE2 GLN 74 10.348 5.089 11.764 569 H THR 75 H THR 75 5.824 1.168 10.592 570 HA THR 75 HA THR 75 3.099 1.429 9.552 571 HB THR 75 HB THR 75 4.337 -0.835 11.193 572 HG1 THR 75 HG1 THR 75 4.818 -1.788 9.291 573 HG21 THR 75 3HG2 THR 75 2.439 -2.191 10.346 574 HG22 THR 75 1HG2 THR 75 1.773 -0.769 9.543 575 HG23 THR 75 2HG2 THR 75 1.859 -0.830 11.306 576 H SER 76 H SER 76 1.547 2.313 10.751 577 HA SER 76 HA SER 76 0.311 3.201 12.379 578 HB2 SER 76 1HB SER 76 1.544 1.037 14.117 579 HB3 SER 76 2HB SER 76 0.067 1.934 14.478 580 HG SER 76 HG SER 76 -0.359 1.014 12.115 581 H GLN 77 H GLN 77 2.861 2.361 14.726 582 HA GLN 77 HA GLN 77 4.327 4.699 14.916 583 HB2 GLN 77 1HB GLN 77 3.315 5.930 16.820 584 HB3 GLN 77 2HB GLN 77 2.251 5.923 15.418 585 HG2 GLN 77 1HG GLN 77 0.892 4.139 16.451 586 HG3 GLN 77 2HG GLN 77 1.964 4.142 17.854 587 HE21 GLN 77 2HE2 GLN 77 -0.475 5.936 16.106 588 HE22 GLN 77 1HE2 GLN 77 -0.889 7.020 17.389 589 H GLY 78 H GLY 78 2.997 1.882 16.387 590 HA2 GLY 78 1HA GLY 78 5.123 1.830 18.474 591 HA3 GLY 78 2HA GLY 78 3.444 1.501 18.878 592 H VAL 79 H VAL 79 5.193 0.433 15.986 593 HA VAL 79 HA VAL 79 5.430 -2.312 16.972 594 HB VAL 79 HB VAL 79 3.228 -2.388 15.922 595 HG11 VAL 79 1HG1 VAL 79 4.438 -1.186 13.412 596 HG12 VAL 79 2HG1 VAL 79 3.334 -0.380 14.526 597 HG13 VAL 79 3HG1 VAL 79 2.777 -1.763 13.585 598 HG21 VAL 79 3HG2 VAL 79 3.543 -4.107 14.181 599 HG22 VAL 79 1HG2 VAL 79 4.650 -4.361 15.532 600 HG23 VAL 79 2HG2 VAL 79 5.243 -3.658 14.027 601 HA PRO 80 HA PRO 80 9.606 -1.920 15.232 602 HB2 PRO 80 1HB PRO 80 8.888 -4.708 14.256 603 HB3 PRO 80 2HB PRO 80 10.422 -4.122 14.932 604 HG2 PRO 80 1HG PRO 80 8.711 -5.441 16.488 605 HG3 PRO 80 2HG PRO 80 9.561 -4.017 17.122 606 HD2 PRO 80 1HD PRO 80 6.696 -4.304 16.318 607 HD3 PRO 80 2HD PRO 80 7.423 -3.224 17.527 608 H VAL 81 H VAL 81 10.418 -1.117 13.428 609 HA VAL 81 HA VAL 81 8.918 -0.525 11.102 610 HB VAL 81 HB VAL 81 11.921 -0.359 11.650 611 HG11 VAL 81 1HG1 VAL 81 11.492 -0.353 9.215 612 HG12 VAL 81 2HG1 VAL 81 12.075 1.219 9.765 613 HG13 VAL 81 3HG1 VAL 81 10.362 0.989 9.412 614 HG21 VAL 81 3HG2 VAL 81 11.511 2.045 12.115 615 HG22 VAL 81 1HG2 VAL 81 10.594 1.012 13.217 616 HG23 VAL 81 2HG2 VAL 81 9.780 1.802 11.864 617 H ARG 82 H ARG 82 8.803 -1.621 9.112 618 HA ARG 82 HA ARG 82 10.086 -4.292 9.033 619 HB2 ARG 82 1HB ARG 82 7.525 -4.106 9.075 620 HB3 ARG 82 2HB ARG 82 7.626 -3.347 7.493 621 HG2 ARG 82 1HG ARG 82 7.099 -5.662 7.144 622 HG3 ARG 82 2HG ARG 82 8.776 -5.428 6.639 623 HD2 ARG 82 1HD ARG 82 8.550 -7.506 7.931 624 HD3 ARG 82 2HD ARG 82 9.552 -6.342 8.815 625 HE ARG 82 HE ARG 82 6.665 -6.561 9.399 626 HH11 ARG 82 1HH1 ARG 82 9.946 -6.947 10.568 627 HH12 ARG 82 2HH1 ARG 82 9.457 -7.109 12.220 628 HH21 ARG 82 1HH2 ARG 82 6.058 -6.778 11.550 629 HH22 ARG 82 2HH2 ARG 82 7.263 -7.000 12.771 630 H ARG 83 H ARG 83 11.873 -4.266 7.707 631 HA ARG 83 HA ARG 83 11.935 -2.625 5.289 632 HB2 ARG 83 1HB ARG 83 14.022 -4.408 6.624 633 HB3 ARG 83 2HB ARG 83 14.273 -3.673 5.046 634 HG2 ARG 83 1HG ARG 83 15.409 -2.325 6.651 635 HG3 ARG 83 2HG ARG 83 13.997 -1.415 6.116 636 HD2 ARG 83 1HD ARG 83 12.814 -2.106 8.203 637 HD3 ARG 83 2HD ARG 83 14.281 -2.948 8.727 638 HE ARG 83 HE ARG 83 14.658 -0.163 8.063 639 HH11 ARG 83 1HH1 ARG 83 13.864 -2.357 10.702 640 HH12 ARG 83 2HH1 ARG 83 14.340 -1.226 11.928 641 HH21 ARG 83 1HH2 ARG 83 15.251 1.295 9.658 642 HH22 ARG 83 2HH2 ARG 83 15.122 0.859 11.331 643 H PHE 84 H PHE 84 11.962 -3.473 3.225 644 HA PHE 84 HA PHE 84 11.600 -6.397 2.877 645 HB2 PHE 84 1HB PHE 84 10.242 -4.100 1.385 646 HB3 PHE 84 2HB PHE 84 10.178 -5.784 0.862 647 HD1 PHE 84 HD2 PHE 84 9.297 -7.506 2.570 648 HD2 PHE 84 HD1 PHE 84 8.579 -3.302 2.880 649 HE1 PHE 84 HE2 PHE 84 7.362 -7.932 3.990 650 HE2 PHE 84 HE1 PHE 84 6.640 -3.751 4.318 651 HZ PHE 84 HZ PHE 84 6.030 -6.070 4.867 652 H GLN 85 H GLN 85 12.613 -7.329 1.124 653 HA GLN 85 HA GLN 85 15.004 -6.031 0.185 654 HB2 GLN 85 1HB GLN 85 14.836 -8.491 0.720 655 HB3 GLN 85 2HB GLN 85 13.852 -8.701 -0.726 656 HG2 GLN 85 1HG GLN 85 15.714 -8.006 -2.143 657 HG3 GLN 85 2HG GLN 85 16.689 -7.619 -0.726 658 HE21 GLN 85 2HE2 GLN 85 18.344 -9.025 -1.295 659 HE22 GLN 85 1HE2 GLN 85 18.184 -10.747 -1.233 660 H THR 86 H THR 86 11.848 -6.869 -1.235 661 HA THR 86 HA THR 86 12.321 -5.057 -3.493 662 HB THR 86 HB THR 86 11.258 -6.696 -5.099 663 HG1 THR 86 HG1 THR 86 11.906 -8.864 -3.471 664 HG21 THR 86 3HG2 THR 86 13.718 -6.426 -5.128 665 HG22 THR 86 1HG2 THR 86 13.250 -8.085 -5.518 666 HG23 THR 86 2HG2 THR 86 13.877 -7.701 -3.915 667 H LEU 87 H LEU 87 10.203 -4.804 -4.722 668 HA LEU 87 HA LEU 87 8.052 -4.054 -3.019 669 HB2 LEU 87 1HB LEU 87 8.770 -3.129 -5.375 670 HB3 LEU 87 2HB LEU 87 7.799 -4.426 -6.031 671 HG LEU 87 HG LEU 87 6.711 -2.119 -5.952 672 HD11 LEU 87 1HD1 LEU 87 5.193 -4.298 -4.516 673 HD12 LEU 87 2HD1 LEU 87 5.337 -4.095 -6.263 674 HD13 LEU 87 3HD1 LEU 87 4.493 -2.880 -5.307 675 HD21 LEU 87 3HD2 LEU 87 5.788 -1.291 -3.855 676 HD22 LEU 87 1HD2 LEU 87 7.543 -1.412 -3.753 677 HD23 LEU 87 2HD2 LEU 87 6.529 -2.626 -2.967 678 H GLY 88 H GLY 88 8.681 -6.898 -5.079 679 HA2 GLY 88 1HA GLY 88 6.224 -8.237 -4.880 680 HA3 GLY 88 2HA GLY 88 7.785 -9.015 -5.092 681 H GLU 89 H GLU 89 9.000 -8.261 -2.688 682 HA GLU 89 HA GLU 89 8.037 -10.116 -0.776 683 HB2 GLU 89 1HB GLU 89 10.008 -7.807 -0.534 684 HB3 GLU 89 2HB GLU 89 9.714 -8.966 0.762 685 HG2 GLU 89 1HG GLU 89 10.774 -9.653 -2.003 686 HG3 GLU 89 2HG GLU 89 11.761 -9.456 -0.553 687 H LEU 90 H LEU 90 7.875 -6.603 -0.964 688 HA LEU 90 HA LEU 90 6.632 -5.919 1.393 689 HB2 LEU 90 1HB LEU 90 7.626 -4.427 -0.380 690 HB3 LEU 90 2HB LEU 90 6.156 -4.615 -1.313 691 HG LEU 90 HG LEU 90 6.020 -3.471 1.491 692 HD11 LEU 90 1HD1 LEU 90 6.344 -1.211 0.597 693 HD12 LEU 90 2HD1 LEU 90 6.722 -1.873 -0.991 694 HD13 LEU 90 3HD1 LEU 90 7.786 -2.195 0.383 695 HD21 LEU 90 3HD2 LEU 90 4.063 -2.242 0.624 696 HD22 LEU 90 1HD2 LEU 90 3.866 -3.978 0.387 697 HD23 LEU 90 2HD2 LEU 90 4.306 -2.947 -0.975 698 H ILE 91 H ILE 91 5.097 -6.753 -1.670 699 HA ILE 91 HA ILE 91 2.392 -6.558 -0.779 700 HB ILE 91 HB ILE 91 3.609 -7.890 -3.235 701 HG12 ILE 91 1HG1 ILE 91 4.110 -5.495 -3.165 702 HG13 ILE 91 2HG1 ILE 91 2.914 -5.795 -4.413 703 HG21 ILE 91 1HG2 ILE 91 0.695 -7.180 -2.741 704 HG22 ILE 91 2HG2 ILE 91 1.371 -8.806 -2.865 705 HG23 ILE 91 3HG2 ILE 91 1.368 -7.745 -4.274 706 HD11 ILE 91 3HD1 ILE 91 2.436 -3.771 -3.213 707 HD12 ILE 91 1HD1 ILE 91 2.378 -4.636 -1.681 708 HD13 ILE 91 2HD1 ILE 91 1.158 -4.947 -2.922 709 H GLY 92 H GLY 92 4.737 -9.186 -0.997 710 HA2 GLY 92 1HA GLY 92 3.098 -11.420 -0.633 711 HA3 GLY 92 2HA GLY 92 4.783 -11.314 -0.156 712 H LEU 93 H LEU 93 4.947 -9.718 1.943 713 HA LEU 93 HA LEU 93 3.767 -11.213 4.069 714 HB2 LEU 93 1HB LEU 93 5.475 -8.700 4.022 715 HB3 LEU 93 2HB LEU 93 4.858 -9.365 5.516 716 HG LEU 93 HG LEU 93 6.095 -11.531 4.965 717 HD11 LEU 93 1HD1 LEU 93 7.963 -11.468 3.394 718 HD12 LEU 93 2HD1 LEU 93 7.498 -9.847 2.874 719 HD13 LEU 93 3HD1 LEU 93 6.429 -11.216 2.560 720 HD21 LEU 93 3HD2 LEU 93 6.933 -9.964 6.650 721 HD22 LEU 93 1HD2 LEU 93 7.795 -9.056 5.402 722 HD23 LEU 93 2HD2 LEU 93 8.262 -10.719 5.772 723 H TYR 94 H TYR 94 3.012 -8.134 2.569 724 HA TYR 94 HA TYR 94 1.025 -7.376 4.528 725 HB2 TYR 94 1HB TYR 94 1.859 -6.202 1.867 726 HB3 TYR 94 2HB TYR 94 0.441 -5.589 2.715 727 HD1 TYR 94 HD1 TYR 94 2.994 -6.709 5.019 728 HD2 TYR 94 HD2 TYR 94 1.839 -3.392 2.581 729 HE1 TYR 94 HE1 TYR 94 4.360 -5.225 6.395 730 HE2 TYR 94 HE2 TYR 94 3.221 -1.903 3.969 731 HH TYR 94 HH TYR 94 4.113 -1.912 6.345 732 H ALA 95 H ALA 95 0.885 -9.364 1.676 733 HA ALA 95 HA ALA 95 -1.837 -9.300 1.063 734 HB1 ALA 95 3HB ALA 95 0.023 -11.691 0.948 735 HB2 ALA 95 1HB ALA 95 -0.141 -10.450 -0.295 736 HB3 ALA 95 2HB ALA 95 -1.500 -11.517 0.066 737 H GLN 96 H GLN 96 -0.310 -10.527 3.864 738 HA GLN 96 HA GLN 96 -2.742 -12.002 4.746 739 HB2 GLN 96 1HB GLN 96 -1.338 -13.348 6.178 740 HB3 GLN 96 2HB GLN 96 -0.613 -13.355 4.576 741 HG2 GLN 96 1HG GLN 96 1.036 -11.680 5.315 742 HG3 GLN 96 2HG GLN 96 0.319 -11.674 6.926 743 HE21 GLN 96 2HE2 GLN 96 2.161 -12.377 7.959 744 HE22 GLN 96 1HE2 GLN 96 2.802 -13.970 7.781 745 HA PRO 97 HA PRO 97 -3.353 -9.144 8.287 746 HB2 PRO 97 1HB PRO 97 -3.083 -11.024 10.440 747 HB3 PRO 97 2HB PRO 97 -4.585 -10.525 9.647 748 HG2 PRO 97 1HG PRO 97 -2.865 -12.925 9.121 749 HG3 PRO 97 2HG PRO 97 -4.637 -12.792 9.108 750 HD2 PRO 97 1HD PRO 97 -3.292 -12.914 6.810 751 HD3 PRO 97 2HD PRO 97 -4.657 -11.776 6.959 752 H ASN 98 H ASN 98 -1.672 -7.817 8.414 753 HA ASN 98 HA ASN 98 1.039 -8.719 9.054 754 HB2 ASN 98 1HB ASN 98 0.767 -7.279 7.099 755 HB3 ASN 98 2HB ASN 98 -0.032 -6.052 8.073 756 HD21 ASN 98 2HD2 ASN 98 3.027 -7.686 7.518 757 HD22 ASN 98 1HD2 ASN 98 4.035 -6.432 8.147 758 H GLN 99 H GLN 99 -1.208 -6.180 10.169 759 HA GLN 99 HA GLN 99 -1.861 -5.762 12.366 760 HB2 GLN 99 1HB GLN 99 -0.229 -7.340 13.475 761 HB3 GLN 99 2HB GLN 99 1.024 -6.128 13.278 762 HG2 GLN 99 1HG GLN 99 -0.334 -4.575 14.725 763 HG3 GLN 99 2HG GLN 99 -1.472 -5.896 14.977 764 HE21 GLN 99 2HE2 GLN 99 -1.150 -6.022 17.174 765 HE22 GLN 99 1HE2 GLN 99 0.319 -6.560 17.905 766 H GLY 100 H GLY 100 -2.401 -3.755 11.860 767 HA2 GLY 100 1HA GLY 100 -1.869 -1.392 12.294 768 HA3 GLY 100 2HA GLY 100 -0.309 -1.652 11.528 769 H LEU 101 H LEU 101 -1.873 -3.419 9.596 770 HA LEU 101 HA LEU 101 -2.411 -1.429 7.558 771 HB2 LEU 101 1HB LEU 101 -2.889 -4.428 7.482 772 HB3 LEU 101 2HB LEU 101 -3.111 -3.350 6.114 773 HG LEU 101 HG LEU 101 -0.506 -4.164 7.462 774 HD11 LEU 101 1HD1 LEU 101 -1.415 -5.753 5.853 775 HD12 LEU 101 2HD1 LEU 101 0.080 -5.036 5.263 776 HD13 LEU 101 3HD1 LEU 101 -1.471 -4.500 4.608 777 HD21 LEU 101 3HD2 LEU 101 -0.311 -1.777 7.019 778 HD22 LEU 101 1HD2 LEU 101 -0.827 -2.010 5.345 779 HD23 LEU 101 2HD2 LEU 101 0.703 -2.690 5.907 780 H VAL 102 H VAL 102 -4.343 -0.707 6.829 781 HA VAL 102 HA VAL 102 -6.858 -1.429 8.064 782 HB VAL 102 HB VAL 102 -7.953 0.002 6.304 783 HG11 VAL 102 1HG1 VAL 102 -7.254 0.968 8.468 784 HG12 VAL 102 2HG1 VAL 102 -7.089 2.154 7.175 785 HG13 VAL 102 3HG1 VAL 102 -5.655 1.342 7.808 786 HG21 VAL 102 3HG2 VAL 102 -6.560 1.418 4.816 787 HG22 VAL 102 1HG2 VAL 102 -6.364 -0.294 4.435 788 HG23 VAL 102 2HG2 VAL 102 -5.111 0.558 5.342 789 H CYS 103 H CYS 103 -6.410 -3.679 7.762 790 HA CYS 103 HA CYS 103 -7.159 -5.684 7.133 791 HB2 CYS 103 1HB CYS 103 -8.810 -6.073 5.503 792 HB3 CYS 103 2HB CYS 103 -9.157 -4.433 6.027 793 HG CYS 103 HG CYS 103 -7.166 -4.045 3.551 794 H ALA 104 H ALA 104 -6.963 -7.185 4.964 795 HA ALA 104 HA ALA 104 -4.095 -7.162 4.430 796 HB1 ALA 104 3HB ALA 104 -6.217 -9.238 3.751 797 HB2 ALA 104 1HB ALA 104 -5.180 -9.249 5.179 798 HB3 ALA 104 2HB ALA 104 -4.470 -9.449 3.575 799 H LEU 105 H LEU 105 -3.654 -8.165 2.112 800 HA LEU 105 HA LEU 105 -4.749 -6.292 0.105 801 HB2 LEU 105 1HB LEU 105 -2.458 -8.258 -0.258 802 HB3 LEU 105 2HB LEU 105 -2.922 -6.967 -1.354 803 HG LEU 105 HG LEU 105 -1.579 -6.715 1.357 804 HD11 LEU 105 1HD1 LEU 105 -0.700 -5.803 -1.390 805 HD12 LEU 105 2HD1 LEU 105 -0.090 -7.200 -0.496 806 HD13 LEU 105 3HD1 LEU 105 0.191 -5.572 0.119 807 HD21 LEU 105 3HD2 LEU 105 -2.754 -4.432 -0.253 808 HD22 LEU 105 1HD2 LEU 105 -1.671 -4.250 1.126 809 HD23 LEU 105 2HD2 LEU 105 -3.262 -4.969 1.344 810 H LEU 106 H LEU 106 -6.597 -6.998 -0.771 811 HA LEU 106 HA LEU 106 -7.123 -9.883 -1.079 812 HB2 LEU 106 1HB LEU 106 -8.931 -7.454 -0.939 813 HB3 LEU 106 2HB LEU 106 -9.527 -8.953 -1.626 814 HG LEU 106 HG LEU 106 -10.266 -8.802 0.660 815 HD11 LEU 106 1HD1 LEU 106 -9.419 -10.883 1.599 816 HD12 LEU 106 2HD1 LEU 106 -8.058 -10.866 0.475 817 HD13 LEU 106 3HD1 LEU 106 -9.709 -11.035 -0.132 818 HD21 LEU 106 3HD2 LEU 106 -7.373 -8.506 1.526 819 HD22 LEU 106 1HD2 LEU 106 -8.767 -8.693 2.597 820 HD23 LEU 106 2HD2 LEU 106 -8.622 -7.260 1.586 821 H LEU 107 H LEU 107 -7.432 -6.835 -3.004 822 HA LEU 107 HA LEU 107 -7.335 -8.447 -5.480 823 HB2 LEU 107 1HB LEU 107 -9.286 -7.283 -6.422 824 HB3 LEU 107 2HB LEU 107 -9.685 -8.201 -4.987 825 HG LEU 107 HG LEU 107 -9.427 -5.815 -3.790 826 HD11 LEU 107 1HD1 LEU 107 -10.271 -3.963 -5.161 827 HD12 LEU 107 2HD1 LEU 107 -10.189 -4.977 -6.604 828 HD13 LEU 107 3HD1 LEU 107 -8.710 -4.539 -5.745 829 HD21 LEU 107 3HD2 LEU 107 -11.451 -7.175 -3.744 830 HD22 LEU 107 1HD2 LEU 107 -11.892 -6.617 -5.362 831 HD23 LEU 107 2HD2 LEU 107 -11.848 -5.478 -4.011 832 HA PRO 108 HA PRO 108 -4.448 -5.461 -6.785 833 HB2 PRO 108 1HB PRO 108 -4.325 -5.883 -9.443 834 HB3 PRO 108 2HB PRO 108 -3.931 -7.169 -8.287 835 HG2 PRO 108 1HG PRO 108 -6.530 -6.680 -9.749 836 HG3 PRO 108 2HG PRO 108 -5.598 -8.188 -9.618 837 HD2 PRO 108 1HD PRO 108 -7.725 -7.638 -7.999 838 HD3 PRO 108 2HD PRO 108 -6.340 -8.608 -7.444 839 H VAL 109 H VAL 109 -7.741 -4.890 -7.945 840 HA VAL 109 HA VAL 109 -8.867 -2.928 -8.130 841 HB VAL 109 HB VAL 109 -6.262 -1.348 -8.380 842 HG11 VAL 109 1HG1 VAL 109 -9.090 -0.370 -7.810 843 HG12 VAL 109 2HG1 VAL 109 -8.217 -0.185 -9.333 844 HG13 VAL 109 3HG1 VAL 109 -7.642 0.643 -7.884 845 HG21 VAL 109 3HG2 VAL 109 -7.938 -1.756 -5.878 846 HG22 VAL 109 1HG2 VAL 109 -6.553 -0.670 -6.026 847 HG23 VAL 109 2HG2 VAL 109 -6.326 -2.412 -6.167 Start of MODEL 18 1 H1 MET 1 1H MET 1 -8.265 -14.595 -39.840 2 H2 MET 1 2H MET 1 -8.121 -16.127 -40.544 3 H3 MET 1 3H MET 1 -6.828 -15.041 -40.607 4 HA MET 1 HA MET 1 -7.947 -16.202 -38.135 5 HB2 MET 1 1HB MET 1 -5.394 -16.921 -39.650 6 HB3 MET 1 2HB MET 1 -5.774 -17.492 -38.027 7 HG2 MET 1 1HG MET 1 -6.255 -19.211 -39.680 8 HG3 MET 1 2HG MET 1 -7.752 -18.675 -38.908 9 HE1 MET 1 3HE MET 1 -9.026 -19.449 -42.527 10 HE2 MET 1 1HE MET 1 -9.237 -19.761 -40.804 11 HE3 MET 1 2HE MET 1 -7.805 -20.364 -41.643 12 H GLY 2 H GLY 2 -6.769 -15.644 -36.253 13 HA2 GLY 2 1HA GLY 2 -4.633 -13.981 -35.872 14 HA3 GLY 2 2HA GLY 2 -5.970 -12.874 -36.188 15 H HIS 3 H HIS 3 -7.869 -14.852 -34.979 16 HA HIS 3 HA HIS 3 -7.775 -13.934 -32.246 17 HB2 HIS 3 1HB HIS 3 -9.929 -14.156 -33.421 18 HB3 HIS 3 2HB HIS 3 -9.651 -15.876 -33.675 19 HD1 HIS 3 HD1 HIS 3 -10.325 -17.447 -31.810 20 HD2 HIS 3 HD2 HIS 3 -10.507 -13.449 -30.682 21 HE1 HIS 3 HE1 HIS 3 -11.448 -17.433 -29.561 22 HE2 HIS 3 HE2 HIS 3 -11.605 -14.998 -28.932 23 H HIS 4 H HIS 4 -6.686 -14.930 -30.673 24 HA HIS 4 HA HIS 4 -6.905 -17.728 -30.152 25 HB2 HIS 4 1HB HIS 4 -4.573 -18.382 -30.191 26 HB3 HIS 4 2HB HIS 4 -4.946 -17.715 -31.769 27 HD1 HIS 4 HD1 HIS 4 -2.625 -17.414 -28.975 28 HD2 HIS 4 HD2 HIS 4 -3.830 -15.024 -32.157 29 HE1 HIS 4 HE1 HIS 4 -0.830 -15.677 -29.223 30 HE2 HIS 4 HE2 HIS 4 -1.483 -14.375 -31.275 31 H HIS 5 H HIS 5 -6.348 -18.220 -27.972 32 HA HIS 5 HA HIS 5 -6.170 -15.946 -26.153 33 HB2 HIS 5 1HB HIS 5 -6.537 -18.929 -25.674 34 HB3 HIS 5 2HB HIS 5 -6.361 -17.776 -24.356 35 HD1 HIS 5 HD1 HIS 5 -8.899 -19.614 -25.237 36 HD2 HIS 5 HD2 HIS 5 -8.491 -15.491 -25.530 37 HE1 HIS 5 HE1 HIS 5 -11.241 -18.711 -25.232 38 HE2 HIS 5 HE2 HIS 5 -10.966 -16.210 -25.340 39 H HIS 6 H HIS 6 -4.777 -16.358 -24.161 40 HA HIS 6 HA HIS 6 -2.234 -17.688 -24.472 41 HB2 HIS 6 1HB HIS 6 -0.843 -15.671 -24.172 42 HB3 HIS 6 2HB HIS 6 -1.795 -15.517 -25.643 43 HD1 HIS 6 HD1 HIS 6 -3.943 -13.884 -25.444 44 HD2 HIS 6 HD2 HIS 6 -1.157 -13.615 -22.375 45 HE1 HIS 6 HE1 HIS 6 -4.421 -11.711 -24.284 46 HE2 HIS 6 HE2 HIS 6 -2.597 -11.476 -22.580 47 H HIS 7 H HIS 7 -1.216 -17.986 -22.438 48 HA HIS 7 HA HIS 7 -2.963 -17.438 -20.120 49 HB2 HIS 7 1HB HIS 7 -2.249 -19.849 -20.639 50 HB3 HIS 7 2HB HIS 7 -0.611 -19.390 -20.193 51 HD1 HIS 7 HD1 HIS 7 -4.019 -19.960 -18.740 52 HD2 HIS 7 HD2 HIS 7 -0.167 -19.142 -17.426 53 HE1 HIS 7 HE1 HIS 7 -4.076 -20.306 -16.258 54 HE2 HIS 7 HE2 HIS 7 -1.777 -19.646 -15.465 55 H HIS 8 H HIS 8 -2.277 -15.226 -20.142 56 HA HIS 8 HA HIS 8 -0.123 -14.773 -18.235 57 HB2 HIS 8 1HB HIS 8 1.040 -14.443 -20.427 58 HB3 HIS 8 2HB HIS 8 -0.168 -13.250 -20.894 59 HD1 HIS 8 HD1 HIS 8 2.328 -13.744 -18.045 60 HD2 HIS 8 HD2 HIS 8 0.656 -10.705 -20.340 61 HE1 HIS 8 HE1 HIS 8 3.413 -11.622 -17.244 62 HE2 HIS 8 HE2 HIS 8 2.484 -9.811 -18.737 63 H SER 9 H SER 9 -1.474 -14.004 -16.725 64 HA SER 9 HA SER 9 -3.810 -12.439 -17.203 65 HB2 SER 9 1HB SER 9 -2.279 -12.946 -14.614 66 HB3 SER 9 2HB SER 9 -3.910 -12.273 -14.721 67 HG SER 9 HG SER 9 -4.494 -14.288 -14.631 68 H HIS 10 H HIS 10 -4.205 -10.255 -16.621 69 HA HIS 10 HA HIS 10 -1.847 -8.492 -16.261 70 HB2 HIS 10 1HB HIS 10 -4.213 -8.152 -18.157 71 HB3 HIS 10 2HB HIS 10 -3.277 -6.764 -17.608 72 HD1 HIS 10 HD1 HIS 10 -3.452 -7.876 -20.588 73 HD2 HIS 10 HD2 HIS 10 -0.309 -8.420 -17.935 74 HE1 HIS 10 HE1 HIS 10 -1.428 -8.234 -22.020 75 HE2 HIS 10 HE2 HIS 10 0.481 -8.366 -20.396 76 H MET 11 H MET 11 -2.031 -7.006 -14.723 77 HA MET 11 HA MET 11 -4.512 -5.974 -13.726 78 HB2 MET 11 1HB MET 11 -4.170 -6.626 -11.345 79 HB3 MET 11 2HB MET 11 -4.477 -8.018 -12.367 80 HG2 MET 11 1HG MET 11 -2.056 -8.548 -12.342 81 HG3 MET 11 2HG MET 11 -1.782 -7.167 -11.274 82 HE1 MET 11 3HE MET 11 -1.261 -10.235 -8.875 83 HE2 MET 11 1HE MET 11 -0.525 -8.818 -9.616 84 HE3 MET 11 2HE MET 11 -0.877 -10.245 -10.596 85 H SER 12 H SER 12 -1.023 -6.351 -13.210 86 HA SER 12 HA SER 12 0.622 -4.976 -12.469 87 HB2 SER 12 1HB SER 12 -0.631 -3.290 -14.659 88 HB3 SER 12 2HB SER 12 0.999 -3.063 -14.021 89 HG SER 12 HG SER 12 1.640 -4.619 -15.259 90 H TRP 13 H TRP 13 0.179 -4.446 -10.314 91 HA TRP 13 HA TRP 13 -1.801 -2.455 -9.643 92 HB2 TRP 13 1HB TRP 13 -0.750 -3.114 -7.223 93 HB3 TRP 13 2HB TRP 13 -1.922 -4.136 -8.044 94 HD1 TRP 13 HD1 TRP 13 -1.226 -6.607 -8.396 95 HE1 TRP 13 HE1 TRP 13 0.958 -7.944 -8.253 96 HE3 TRP 13 HE3 TRP 13 2.088 -2.763 -7.593 97 HZ2 TRP 13 HZ2 TRP 13 3.702 -7.476 -7.891 98 HZ3 TRP 13 HZ3 TRP 13 4.484 -3.306 -7.378 99 HH2 TRP 13 HH2 TRP 13 5.274 -5.617 -7.522 100 H TYR 14 H TYR 14 1.104 -1.896 -10.878 101 HA TYR 14 HA TYR 14 2.050 0.002 -8.821 102 HB2 TYR 14 1HB TYR 14 3.689 -1.840 -9.122 103 HB3 TYR 14 2HB TYR 14 3.751 -1.517 -10.852 104 HD1 TYR 14 HD1 TYR 14 4.133 0.401 -7.627 105 HD2 TYR 14 HD2 TYR 14 5.615 -0.242 -11.584 106 HE1 TYR 14 HE1 TYR 14 5.890 2.066 -7.242 107 HE2 TYR 14 HE2 TYR 14 7.376 1.423 -11.188 108 HH TYR 14 HH TYR 14 8.046 2.715 -8.082 109 H HIS 15 H HIS 15 1.206 1.895 -9.500 110 HA HIS 15 HA HIS 15 1.504 2.688 -12.339 111 HB2 HIS 15 1HB HIS 15 -0.685 3.535 -10.376 112 HB3 HIS 15 2HB HIS 15 -0.542 4.063 -12.046 113 HD1 HIS 15 HD1 HIS 15 -1.325 2.443 -13.884 114 HD2 HIS 15 HD2 HIS 15 -1.703 0.931 -10.029 115 HE1 HIS 15 HE1 HIS 15 -2.720 0.366 -14.112 116 HE2 HIS 15 HE2 HIS 15 -2.768 -0.633 -11.795 117 H ARG 16 H ARG 16 2.818 4.423 -12.585 118 HA ARG 16 HA ARG 16 4.439 5.083 -10.330 119 HB2 ARG 16 1HB ARG 16 4.564 6.043 -13.217 120 HB3 ARG 16 2HB ARG 16 5.723 6.532 -11.992 121 HG2 ARG 16 1HG ARG 16 6.752 4.773 -13.220 122 HG3 ARG 16 2HG ARG 16 6.293 4.084 -11.664 123 HD2 ARG 16 1HD ARG 16 4.307 3.050 -12.720 124 HD3 ARG 16 2HD ARG 16 4.771 3.753 -14.275 125 HE ARG 16 HE ARG 16 6.939 2.263 -13.373 126 HH11 ARG 16 1HH1 ARG 16 3.631 1.585 -14.342 127 HH12 ARG 16 2HH1 ARG 16 4.009 -0.000 -14.924 128 HH21 ARG 16 1HH2 ARG 16 7.403 0.184 -14.120 129 HH22 ARG 16 2HH2 ARG 16 6.140 -0.798 -14.782 130 H ASP 17 H ASP 17 3.264 7.659 -12.614 131 HA ASP 17 HA ASP 17 2.988 9.504 -10.392 132 HB2 ASP 17 1HB ASP 17 2.611 9.822 -13.405 133 HB3 ASP 17 2HB ASP 17 2.381 11.141 -12.263 134 H LEU 18 H LEU 18 1.148 7.415 -10.140 135 HA LEU 18 HA LEU 18 -1.449 8.101 -11.043 136 HB2 LEU 18 1HB LEU 18 -0.815 5.814 -10.314 137 HB3 LEU 18 2HB LEU 18 -0.608 6.399 -8.672 138 HG LEU 18 HG LEU 18 -3.017 6.859 -8.479 139 HD11 LEU 18 1HD1 LEU 18 -3.284 5.841 -11.330 140 HD12 LEU 18 2HD1 LEU 18 -3.554 7.496 -10.771 141 HD13 LEU 18 3HD1 LEU 18 -4.618 6.202 -10.230 142 HD21 LEU 18 3HD2 LEU 18 -2.199 4.628 -7.870 143 HD22 LEU 18 1HD2 LEU 18 -2.488 4.056 -9.520 144 HD23 LEU 18 2HD2 LEU 18 -3.841 4.558 -8.501 145 H SER 19 H SER 19 0.127 8.498 -7.832 146 HA SER 19 HA SER 19 0.337 10.336 -6.527 147 HB2 SER 19 1HB SER 19 -1.771 11.759 -8.211 148 HB3 SER 19 2HB SER 19 -0.710 12.498 -7.005 149 HG SER 19 HG SER 19 -0.101 11.512 -9.574 150 H ARG 20 H ARG 20 -0.873 11.269 -4.707 151 HA ARG 20 HA ARG 20 -2.256 9.246 -3.428 152 HB2 ARG 20 1HB ARG 20 -0.814 11.055 -2.428 153 HB3 ARG 20 2HB ARG 20 -2.148 12.177 -2.624 154 HG2 ARG 20 1HG ARG 20 -2.420 9.668 -0.943 155 HG3 ARG 20 2HG ARG 20 -1.707 11.138 -0.286 156 HD2 ARG 20 1HD ARG 20 -4.536 10.799 -1.339 157 HD3 ARG 20 2HD ARG 20 -4.050 11.024 0.344 158 HE ARG 20 HE ARG 20 -3.085 13.254 -0.818 159 HH11 ARG 20 1HH1 ARG 20 -6.288 11.804 -0.979 160 HH12 ARG 20 2HH1 ARG 20 -7.073 13.332 -1.228 161 HH21 ARG 20 1HH2 ARG 20 -4.154 15.213 -1.165 162 HH22 ARG 20 2HH2 ARG 20 -5.879 15.238 -1.330 163 H ALA 21 H ALA 21 -3.644 12.447 -4.221 164 HA ALA 21 HA ALA 21 -6.279 11.967 -3.518 165 HB1 ALA 21 3HB ALA 21 -6.853 13.916 -4.897 166 HB2 ALA 21 1HB ALA 21 -5.287 13.817 -5.711 167 HB3 ALA 21 2HB ALA 21 -5.367 14.200 -3.991 168 H ALA 22 H ALA 22 -4.845 11.652 -6.772 169 HA ALA 22 HA ALA 22 -7.200 10.802 -8.096 170 HB1 ALA 22 3HB ALA 22 -5.720 10.199 -9.956 171 HB2 ALA 22 1HB ALA 22 -4.313 10.363 -8.901 172 HB3 ALA 22 2HB ALA 22 -5.292 11.777 -9.292 173 H ALA 23 H ALA 23 -4.736 9.004 -6.310 174 HA ALA 23 HA ALA 23 -5.281 6.417 -7.383 175 HB1 ALA 23 3HB ALA 23 -3.989 5.540 -5.489 176 HB2 ALA 23 1HB ALA 23 -4.034 7.125 -4.705 177 HB3 ALA 23 2HB ALA 23 -3.172 6.914 -6.231 178 H GLU 24 H GLU 24 -6.227 7.928 -4.267 179 HA GLU 24 HA GLU 24 -7.832 5.791 -3.375 180 HB2 GLU 24 1HB GLU 24 -8.655 7.351 -1.649 181 HB3 GLU 24 2HB GLU 24 -6.906 7.424 -1.820 182 HG2 GLU 24 1HG GLU 24 -7.125 9.502 -3.138 183 HG3 GLU 24 2HG GLU 24 -8.878 9.429 -2.935 184 H GLU 25 H GLU 25 -8.591 8.628 -5.326 185 HA GLU 25 HA GLU 25 -11.432 8.302 -5.304 186 HB2 GLU 25 1HB GLU 25 -9.628 9.781 -7.254 187 HB3 GLU 25 2HB GLU 25 -11.390 9.786 -7.374 188 HG2 GLU 25 1HG GLU 25 -11.466 10.729 -5.037 189 HG3 GLU 25 2HG GLU 25 -9.707 10.859 -5.093 190 H LEU 26 H LEU 26 -8.916 7.264 -7.602 191 HA LEU 26 HA LEU 26 -10.615 5.744 -9.282 192 HB2 LEU 26 1HB LEU 26 -7.649 5.981 -8.938 193 HB3 LEU 26 2HB LEU 26 -8.216 4.514 -9.714 194 HG LEU 26 HG LEU 26 -7.568 6.237 -11.366 195 HD11 LEU 26 1HD1 LEU 26 -9.277 4.599 -11.974 196 HD12 LEU 26 2HD1 LEU 26 -9.562 6.140 -12.775 197 HD13 LEU 26 3HD1 LEU 26 -10.552 5.674 -11.386 198 HD21 LEU 26 3HD2 LEU 26 -8.896 8.290 -11.668 199 HD22 LEU 26 1HD2 LEU 26 -8.082 8.261 -10.105 200 HD23 LEU 26 2HD2 LEU 26 -9.809 7.919 -10.202 201 H LEU 27 H LEU 27 -9.078 4.916 -6.211 202 HA LEU 27 HA LEU 27 -9.672 2.130 -6.301 203 HB2 LEU 27 1HB LEU 27 -9.301 4.034 -3.961 204 HB3 LEU 27 2HB LEU 27 -9.652 2.331 -3.724 205 HG LEU 27 HG LEU 27 -7.160 3.478 -5.052 206 HD11 LEU 27 1HD1 LEU 27 -5.949 2.560 -3.118 207 HD12 LEU 27 2HD1 LEU 27 -7.479 2.072 -2.381 208 HD13 LEU 27 3HD1 LEU 27 -7.123 3.782 -2.640 209 HD21 LEU 27 3HD2 LEU 27 -7.874 0.570 -4.565 210 HD22 LEU 27 1HD2 LEU 27 -6.327 1.167 -5.168 211 HD23 LEU 27 2HD2 LEU 27 -7.785 1.371 -6.132 212 H ALA 28 H ALA 28 -11.355 4.858 -4.727 213 HA ALA 28 HA ALA 28 -13.627 3.528 -3.818 214 HB1 ALA 28 3HB ALA 28 -14.637 5.750 -3.558 215 HB2 ALA 28 1HB ALA 28 -13.390 6.451 -4.603 216 HB3 ALA 28 2HB ALA 28 -12.953 5.759 -3.042 217 H ARG 29 H ARG 29 -12.982 4.878 -6.987 218 HA ARG 29 HA ARG 29 -15.688 4.733 -7.982 219 HB2 ARG 29 1HB ARG 29 -13.554 6.231 -8.722 220 HB3 ARG 29 2HB ARG 29 -13.304 4.906 -9.845 221 HG2 ARG 29 1HG ARG 29 -15.868 6.539 -9.677 222 HG3 ARG 29 2HG ARG 29 -14.530 6.921 -10.753 223 HD2 ARG 29 1HD ARG 29 -16.065 5.788 -12.127 224 HD3 ARG 29 2HD ARG 29 -14.876 4.550 -11.730 225 HE ARG 29 HE ARG 29 -16.783 4.183 -9.842 226 HH11 ARG 29 1HH1 ARG 29 -17.037 4.413 -13.336 227 HH12 ARG 29 2HH1 ARG 29 -18.352 3.291 -13.424 228 HH21 ARG 29 1HH2 ARG 29 -18.500 2.738 -9.969 229 HH22 ARG 29 2HH2 ARG 29 -19.179 2.348 -11.517 230 H ALA 30 H ALA 30 -12.670 2.917 -8.627 231 HA ALA 30 HA ALA 30 -14.003 1.158 -10.504 232 HB1 ALA 30 3HB ALA 30 -11.738 2.008 -10.939 233 HB2 ALA 30 1HB ALA 30 -11.768 0.243 -10.908 234 HB3 ALA 30 2HB ALA 30 -11.137 1.143 -9.527 235 H GLY 31 H GLY 31 -12.235 0.606 -7.388 236 HA2 GLY 31 1HA GLY 31 -13.252 -2.165 -7.298 237 HA3 GLY 31 2HA GLY 31 -11.908 -1.501 -6.381 238 H ARG 32 H ARG 32 -12.821 0.604 -5.185 239 HA ARG 32 HA ARG 32 -13.337 1.143 -3.098 240 HB2 ARG 32 1HB ARG 32 -15.439 1.702 -4.403 241 HB3 ARG 32 2HB ARG 32 -16.142 0.207 -3.789 242 HG2 ARG 32 1HG ARG 32 -15.852 1.049 -1.460 243 HG3 ARG 32 2HG ARG 32 -15.168 2.544 -2.099 244 HD2 ARG 32 1HD ARG 32 -17.444 2.997 -1.537 245 HD3 ARG 32 2HD ARG 32 -17.363 2.928 -3.301 246 HE ARG 32 HE ARG 32 -18.056 0.406 -2.115 247 HH11 ARG 32 1HH1 ARG 32 -19.423 3.439 -3.231 248 HH12 ARG 32 2HH1 ARG 32 -21.033 2.803 -3.346 249 HH21 ARG 32 1HH2 ARG 32 -20.158 -0.401 -2.268 250 HH22 ARG 32 2HH2 ARG 32 -21.449 0.631 -2.799 251 H ASP 33 H ASP 33 -12.215 -0.256 -1.664 252 HA ASP 33 HA ASP 33 -12.475 -0.962 0.470 253 HB2 ASP 33 1HB ASP 33 -15.026 -0.746 0.290 254 HB3 ASP 33 2HB ASP 33 -15.059 -2.419 -0.255 255 H GLY 34 H GLY 34 -11.149 -2.592 1.085 256 HA2 GLY 34 1HA GLY 34 -9.827 -4.466 0.931 257 HA3 GLY 34 2HA GLY 34 -10.967 -5.158 -0.214 258 H SER 35 H SER 35 -10.124 -2.147 -1.339 259 HA SER 35 HA SER 35 -8.596 -3.260 -3.536 260 HB2 SER 35 1HB SER 35 -9.442 -0.362 -3.079 261 HB3 SER 35 2HB SER 35 -9.016 -1.125 -4.622 262 HG SER 35 HG SER 35 -10.903 -2.560 -4.098 263 H PHE 36 H PHE 36 -6.405 -2.813 -3.961 264 HA PHE 36 HA PHE 36 -5.009 -0.773 -2.382 265 HB2 PHE 36 1HB PHE 36 -3.299 -2.182 -1.529 266 HB3 PHE 36 2HB PHE 36 -4.780 -3.056 -1.185 267 HD1 PHE 36 HD2 PHE 36 -5.357 -5.110 -2.557 268 HD2 PHE 36 HD1 PHE 36 -1.581 -3.128 -2.966 269 HE1 PHE 36 HE2 PHE 36 -4.420 -7.094 -3.669 270 HE2 PHE 36 HE1 PHE 36 -0.658 -5.123 -4.079 271 HZ PHE 36 HZ PHE 36 -2.079 -7.107 -4.428 272 H LEU 37 H LEU 37 -3.034 -0.074 -3.375 273 HA LEU 37 HA LEU 37 -1.909 -1.493 -5.596 274 HB2 LEU 37 1HB LEU 37 -1.993 0.603 -7.139 275 HB3 LEU 37 2HB LEU 37 -3.409 -0.421 -7.025 276 HG LEU 37 HG LEU 37 -4.381 1.260 -5.373 277 HD11 LEU 37 1HD1 LEU 37 -2.374 2.464 -4.720 278 HD12 LEU 37 2HD1 LEU 37 -3.577 3.554 -5.403 279 HD13 LEU 37 3HD1 LEU 37 -2.179 3.072 -6.366 280 HD21 LEU 37 3HD2 LEU 37 -3.919 2.213 -8.211 281 HD22 LEU 37 1HD2 LEU 37 -5.200 2.759 -7.125 282 HD23 LEU 37 2HD2 LEU 37 -5.168 1.084 -7.677 283 H VAL 38 H VAL 38 0.084 -0.455 -6.360 284 HA VAL 38 HA VAL 38 1.495 1.011 -4.224 285 HB VAL 38 HB VAL 38 2.743 -0.863 -6.297 286 HG11 VAL 38 1HG1 VAL 38 4.785 -0.702 -4.899 287 HG12 VAL 38 2HG1 VAL 38 3.965 0.425 -3.817 288 HG13 VAL 38 3HG1 VAL 38 4.290 0.888 -5.489 289 HG21 VAL 38 3HG2 VAL 38 3.053 -2.501 -4.468 290 HG22 VAL 38 1HG2 VAL 38 1.341 -2.173 -4.756 291 HG23 VAL 38 2HG2 VAL 38 2.156 -1.450 -3.369 292 H ARG 39 H ARG 39 2.817 2.715 -4.933 293 HA ARG 39 HA ARG 39 2.524 3.648 -7.717 294 HB2 ARG 39 1HB ARG 39 2.267 5.461 -5.265 295 HB3 ARG 39 2HB ARG 39 2.045 5.919 -6.954 296 HG2 ARG 39 1HG ARG 39 -0.007 4.471 -7.010 297 HG3 ARG 39 2HG ARG 39 0.219 4.146 -5.289 298 HD2 ARG 39 1HD ARG 39 -0.382 6.825 -6.591 299 HD3 ARG 39 2HD ARG 39 -1.443 5.884 -5.539 300 HE ARG 39 HE ARG 39 1.086 7.138 -4.618 301 HH11 ARG 39 1HH1 ARG 39 -2.271 6.331 -3.994 302 HH12 ARG 39 2HH1 ARG 39 -2.340 7.242 -2.526 303 HH21 ARG 39 1HH2 ARG 39 0.971 8.318 -2.691 304 HH22 ARG 39 2HH2 ARG 39 -0.499 8.343 -1.778 305 H ASP 40 H ASP 40 4.157 5.198 -8.290 306 HA ASP 40 HA ASP 40 6.562 5.341 -6.595 307 HB2 ASP 40 1HB ASP 40 7.021 5.203 -8.995 308 HB3 ASP 40 2HB ASP 40 5.876 6.488 -9.350 309 H SER 41 H SER 41 6.575 6.882 -5.029 310 HA SER 41 HA SER 41 4.361 8.510 -4.460 311 HB2 SER 41 1HB SER 41 7.204 8.701 -3.381 312 HB3 SER 41 2HB SER 41 5.803 9.514 -2.681 313 HG SER 41 HG SER 41 5.670 6.749 -3.071 314 H GLU 42 H GLU 42 4.308 10.864 -4.386 315 HA GLU 42 HA GLU 42 4.772 11.682 -7.108 316 HB2 GLU 42 1HB GLU 42 3.213 13.622 -6.501 317 HB3 GLU 42 2HB GLU 42 2.536 12.003 -6.506 318 HG2 GLU 42 1HG GLU 42 3.408 13.425 -3.980 319 HG3 GLU 42 2HG GLU 42 1.784 13.550 -4.646 320 H SER 43 H SER 43 7.000 11.898 -6.951 321 HA SER 43 HA SER 43 9.015 12.853 -6.693 322 HB2 SER 43 1HB SER 43 7.825 14.448 -8.250 323 HB3 SER 43 2HB SER 43 7.453 15.473 -6.865 324 HG SER 43 HG SER 43 9.864 15.046 -8.185 325 H VAL 44 H VAL 44 8.466 11.938 -4.308 326 HA VAL 44 HA VAL 44 8.660 14.126 -2.346 327 HB VAL 44 HB VAL 44 8.003 12.691 -0.588 328 HG11 VAL 44 1HG1 VAL 44 6.159 13.389 -2.031 329 HG12 VAL 44 2HG1 VAL 44 5.819 11.800 -1.339 330 HG13 VAL 44 3HG1 VAL 44 6.344 11.942 -3.021 331 HG21 VAL 44 3HG2 VAL 44 8.341 10.246 -2.384 332 HG22 VAL 44 1HG2 VAL 44 7.667 10.230 -0.747 333 HG23 VAL 44 2HG2 VAL 44 9.348 10.678 -1.003 334 H ALA 45 H ALA 45 10.407 11.007 -3.012 335 HA ALA 45 HA ALA 45 12.998 12.142 -2.569 336 HB1 ALA 45 3HB ALA 45 11.897 10.298 -0.409 337 HB2 ALA 45 1HB ALA 45 12.215 12.022 -0.216 338 HB3 ALA 45 2HB ALA 45 13.551 10.909 -0.507 339 H GLY 46 H GLY 46 11.316 10.276 -4.347 340 HA2 GLY 46 1HA GLY 46 11.727 8.468 -5.730 341 HA3 GLY 46 2HA GLY 46 13.275 8.229 -4.923 342 H ALA 47 H ALA 47 10.145 8.405 -3.341 343 HA ALA 47 HA ALA 47 10.515 5.754 -2.148 344 HB1 ALA 47 3HB ALA 47 8.768 6.488 -0.574 345 HB2 ALA 47 1HB ALA 47 8.536 7.969 -1.507 346 HB3 ALA 47 2HB ALA 47 10.066 7.675 -0.679 347 H PHE 48 H PHE 48 8.615 4.384 -1.858 348 HA PHE 48 HA PHE 48 6.712 4.307 -4.119 349 HB2 PHE 48 1HB PHE 48 7.411 2.131 -2.080 350 HB3 PHE 48 2HB PHE 48 6.292 1.947 -3.429 351 HD1 PHE 48 HD2 PHE 48 9.871 2.384 -2.526 352 HD2 PHE 48 HD1 PHE 48 7.094 1.480 -5.653 353 HE1 PHE 48 HE2 PHE 48 11.726 1.663 -3.970 354 HE2 PHE 48 HE1 PHE 48 8.955 0.759 -7.093 355 HZ PHE 48 HZ PHE 48 11.268 0.854 -6.252 356 H ALA 49 H ALA 49 4.482 4.408 -3.702 357 HA ALA 49 HA ALA 49 3.613 4.846 -0.888 358 HB1 ALA 49 3HB ALA 49 3.472 6.875 -2.282 359 HB2 ALA 49 1HB ALA 49 1.864 6.318 -1.810 360 HB3 ALA 49 2HB ALA 49 2.459 6.017 -3.447 361 H LEU 50 H LEU 50 2.090 3.457 -0.127 362 HA LEU 50 HA LEU 50 0.841 1.505 -1.984 363 HB2 LEU 50 1HB LEU 50 2.434 0.436 -0.421 364 HB3 LEU 50 2HB LEU 50 1.634 1.194 0.945 365 HG LEU 50 HG LEU 50 -0.412 -0.166 0.472 366 HD11 LEU 50 1HD1 LEU 50 1.268 -1.562 -1.622 367 HD12 LEU 50 2HD1 LEU 50 -0.158 -0.564 -1.911 368 HD13 LEU 50 3HD1 LEU 50 -0.315 -2.090 -1.047 369 HD21 LEU 50 3HD2 LEU 50 0.449 -2.300 1.326 370 HD22 LEU 50 1HD2 LEU 50 1.180 -0.927 2.158 371 HD23 LEU 50 2HD2 LEU 50 2.098 -1.806 0.931 372 H CYS 51 H CYS 51 -1.222 2.224 -2.324 373 HA CYS 51 HA CYS 51 -2.653 3.632 -0.151 374 HB2 CYS 51 1HB CYS 51 -2.396 4.964 -2.225 375 HB3 CYS 51 2HB CYS 51 -3.168 3.681 -3.153 376 HG CYS 51 HG CYS 51 -5.413 4.130 -1.063 377 H VAL 52 H VAL 52 -4.215 2.529 0.799 378 HA VAL 52 HA VAL 52 -5.490 0.206 -0.500 379 HB VAL 52 HB VAL 52 -4.574 0.315 2.422 380 HG11 VAL 52 1HG1 VAL 52 -5.226 -2.077 2.510 381 HG12 VAL 52 2HG1 VAL 52 -5.841 -1.961 0.859 382 HG13 VAL 52 3HG1 VAL 52 -6.601 -1.027 2.150 383 HG21 VAL 52 3HG2 VAL 52 -2.611 0.076 0.939 384 HG22 VAL 52 1HG2 VAL 52 -3.356 -1.319 0.156 385 HG23 VAL 52 2HG2 VAL 52 -2.889 -1.403 1.857 386 H LEU 53 H LEU 53 -7.644 0.556 -0.559 387 HA LEU 53 HA LEU 53 -8.972 2.295 1.409 388 HB2 LEU 53 1HB LEU 53 -9.399 2.841 -0.952 389 HB3 LEU 53 2HB LEU 53 -9.908 1.196 -1.270 390 HG LEU 53 HG LEU 53 -11.902 1.489 0.138 391 HD11 LEU 53 1HD1 LEU 53 -12.528 3.658 1.093 392 HD12 LEU 53 2HD1 LEU 53 -10.971 4.335 0.617 393 HD13 LEU 53 3HD1 LEU 53 -11.045 3.043 1.818 394 HD21 LEU 53 3HD2 LEU 53 -11.638 3.740 -1.872 395 HD22 LEU 53 1HD2 LEU 53 -13.143 3.031 -1.273 396 HD23 LEU 53 2HD2 LEU 53 -12.041 2.062 -2.250 397 H TYR 54 H TYR 54 -10.359 1.462 2.834 398 HA TYR 54 HA TYR 54 -11.683 -1.041 2.670 399 HB2 TYR 54 1HB TYR 54 -9.301 -1.787 3.175 400 HB3 TYR 54 2HB TYR 54 -9.421 -0.955 4.722 401 HD1 TYR 54 HD2 TYR 54 -11.110 -3.592 2.663 402 HD2 TYR 54 HD1 TYR 54 -10.284 -2.165 6.604 403 HE1 TYR 54 HE2 TYR 54 -12.122 -5.615 3.602 404 HE2 TYR 54 HE1 TYR 54 -11.305 -4.194 7.547 405 HH TYR 54 HH TYR 54 -12.059 -6.930 5.623 406 H GLN 55 H GLN 55 -13.241 -1.208 4.248 407 HA GLN 55 HA GLN 55 -14.851 -0.476 5.642 408 HB2 GLN 55 1HB GLN 55 -14.176 -0.148 8.003 409 HB3 GLN 55 2HB GLN 55 -13.360 -1.517 7.265 410 HG2 GLN 55 1HG GLN 55 -11.300 -0.208 7.061 411 HG3 GLN 55 2HG GLN 55 -12.112 1.211 7.712 412 HE21 GLN 55 2HE2 GLN 55 -12.534 -2.055 8.996 413 HE22 GLN 55 1HE2 GLN 55 -11.734 -1.753 10.492 414 H LYS 56 H LYS 56 -14.483 1.453 3.780 415 HA LYS 56 HA LYS 56 -14.667 3.591 3.178 416 HB2 LYS 56 1HB LYS 56 -16.777 3.109 4.610 417 HB3 LYS 56 2HB LYS 56 -16.024 4.109 5.845 418 HG2 LYS 56 1HG LYS 56 -16.098 6.057 4.443 419 HG3 LYS 56 2HG LYS 56 -16.511 5.094 3.022 420 HD2 LYS 56 1HD LYS 56 -18.706 4.519 4.153 421 HD3 LYS 56 2HD LYS 56 -18.287 5.677 5.421 422 HE2 LYS 56 1HE LYS 56 -19.793 6.673 3.716 423 HE3 LYS 56 2HE LYS 56 -18.233 7.498 3.777 424 HZ1 LYS 56 3HZ LYS 56 -18.983 7.094 1.509 425 HZ2 LYS 56 1HZ LYS 56 -18.999 5.426 1.777 426 HZ3 LYS 56 2HZ LYS 56 -17.535 6.279 1.820 427 H HIS 57 H HIS 57 -12.219 3.049 4.182 428 HA HIS 57 HA HIS 57 -11.291 5.570 5.332 429 HB2 HIS 57 1HB HIS 57 -11.709 3.922 7.257 430 HB3 HIS 57 2HB HIS 57 -10.428 2.919 6.585 431 HD1 HIS 57 HD1 HIS 57 -11.031 6.158 8.360 432 HD2 HIS 57 HD2 HIS 57 -7.820 3.876 7.037 433 HE1 HIS 57 HE1 HIS 57 -9.004 7.202 9.390 434 HE2 HIS 57 HE2 HIS 57 -7.060 5.877 8.494 435 H VAL 58 H VAL 58 -9.814 6.230 3.881 436 HA VAL 58 HA VAL 58 -8.185 4.382 2.328 437 HB VAL 58 HB VAL 58 -8.012 7.434 2.418 438 HG11 VAL 58 1HG1 VAL 58 -5.966 6.356 1.521 439 HG12 VAL 58 2HG1 VAL 58 -6.829 7.225 0.250 440 HG13 VAL 58 3HG1 VAL 58 -6.939 5.465 0.349 441 HG21 VAL 58 3HG2 VAL 58 -9.357 7.429 0.331 442 HG22 VAL 58 1HG2 VAL 58 -10.262 6.757 1.694 443 HG23 VAL 58 2HG2 VAL 58 -9.571 5.684 0.477 444 H HIS 59 H HIS 59 -6.011 4.079 2.600 445 HA HIS 59 HA HIS 59 -4.548 5.435 4.739 446 HB2 HIS 59 1HB HIS 59 -5.609 3.251 5.698 447 HB3 HIS 59 2HB HIS 59 -4.455 2.383 4.693 448 HD1 HIS 59 HD1 HIS 59 -4.249 1.962 7.661 449 HD2 HIS 59 HD2 HIS 59 -2.213 5.017 5.713 450 HE1 HIS 59 HE1 HIS 59 -2.361 2.598 9.193 451 HE2 HIS 59 HE2 HIS 59 -1.101 4.382 7.951 452 H THR 60 H THR 60 -2.593 6.017 3.924 453 HA THR 60 HA THR 60 -1.480 4.477 1.654 454 HB THR 60 HB THR 60 -1.051 7.450 2.219 455 HG1 THR 60 HG1 THR 60 -3.186 6.992 1.514 456 HG21 THR 60 3HG2 THR 60 -0.246 5.743 -0.181 457 HG22 THR 60 1HG2 THR 60 0.860 6.420 1.023 458 HG23 THR 60 2HG2 THR 60 -0.034 7.491 -0.055 459 H TYR 61 H TYR 61 0.518 3.693 1.915 460 HA TYR 61 HA TYR 61 2.005 4.190 4.426 461 HB2 TYR 61 1HB TYR 61 2.114 1.561 2.851 462 HB3 TYR 61 2HB TYR 61 2.667 1.871 4.488 463 HD1 TYR 61 HD2 TYR 61 -0.415 1.513 2.408 464 HD2 TYR 61 HD1 TYR 61 1.208 1.454 6.340 465 HE1 TYR 61 HE2 TYR 61 -2.532 0.621 3.261 466 HE2 TYR 61 HE1 TYR 61 -0.903 0.546 7.199 467 HH TYR 61 HH TYR 61 -3.395 -0.593 5.111 468 H ARG 62 H ARG 62 3.512 5.628 3.647 469 HA ARG 62 HA ARG 62 4.677 5.369 1.009 470 HB2 ARG 62 1HB ARG 62 5.387 7.248 3.308 471 HB3 ARG 62 2HB ARG 62 6.170 7.280 1.740 472 HG2 ARG 62 1HG ARG 62 4.602 9.063 1.734 473 HG3 ARG 62 2HG ARG 62 3.900 7.804 0.718 474 HD2 ARG 62 1HD ARG 62 2.385 7.146 2.495 475 HD3 ARG 62 2HD ARG 62 3.173 8.243 3.633 476 HE ARG 62 HE ARG 62 2.216 9.714 1.413 477 HH11 ARG 62 1HH1 ARG 62 0.931 7.994 4.209 478 HH12 ARG 62 2HH1 ARG 62 -0.450 9.031 4.338 479 HH21 ARG 62 1HH2 ARG 62 0.412 11.031 1.610 480 HH22 ARG 62 2HH2 ARG 62 -0.744 10.750 2.870 481 H ILE 63 H ILE 63 5.705 3.240 1.133 482 HA ILE 63 HA ILE 63 7.903 2.670 2.683 483 HB ILE 63 HB ILE 63 7.754 2.028 -0.304 484 HG12 ILE 63 1HG1 ILE 63 6.639 -0.227 0.735 485 HG13 ILE 63 2HG1 ILE 63 6.004 0.929 1.881 486 HG21 ILE 63 1HG2 ILE 63 9.859 1.436 0.784 487 HG22 ILE 63 2HG2 ILE 63 8.988 -0.019 0.308 488 HG23 ILE 63 3HG2 ILE 63 8.996 0.485 1.998 489 HD11 ILE 63 3HD1 ILE 63 5.592 0.966 -1.102 490 HD12 ILE 63 1HD1 ILE 63 4.923 2.135 0.039 491 HD13 ILE 63 2HD1 ILE 63 4.430 0.443 0.115 492 H LEU 64 H LEU 64 9.742 3.881 2.901 493 HA LEU 64 HA LEU 64 10.874 5.096 0.475 494 HB2 LEU 64 1HB LEU 64 11.998 6.844 1.883 495 HB3 LEU 64 2HB LEU 64 10.284 7.017 1.650 496 HG LEU 64 HG LEU 64 10.863 7.759 3.829 497 HD11 LEU 64 1HD1 LEU 64 9.392 5.152 4.115 498 HD12 LEU 64 2HD1 LEU 64 8.706 6.700 3.618 499 HD13 LEU 64 3HD1 LEU 64 9.360 6.512 5.247 500 HD21 LEU 64 3HD2 LEU 64 11.869 6.432 5.591 501 HD22 LEU 64 1HD2 LEU 64 12.946 6.543 4.202 502 HD23 LEU 64 2HD2 LEU 64 12.046 5.054 4.501 503 HA PRO 65 HA PRO 65 14.350 2.459 1.506 504 HB2 PRO 65 1HB PRO 65 15.789 3.757 -0.727 505 HB3 PRO 65 2HB PRO 65 15.253 2.078 -0.586 506 HG2 PRO 65 1HG PRO 65 14.105 3.832 -2.327 507 HG3 PRO 65 2HG PRO 65 13.188 2.519 -1.561 508 HD2 PRO 65 1HD PRO 65 13.294 5.444 -0.788 509 HD3 PRO 65 2HD PRO 65 11.887 4.362 -0.911 510 H ASP 66 H ASP 66 15.627 5.480 0.166 511 HA ASP 66 HA ASP 66 16.920 7.173 0.944 512 HB2 ASP 66 1HB ASP 66 15.430 7.463 2.915 513 HB3 ASP 66 2HB ASP 66 16.284 6.184 3.771 514 H GLY 67 H GLY 67 19.298 7.261 1.211 515 HA2 GLY 67 1HA GLY 67 21.018 6.158 0.120 516 HA3 GLY 67 2HA GLY 67 20.979 5.206 1.597 517 H GLU 68 H GLU 68 21.620 3.320 0.522 518 HA GLU 68 HA GLU 68 19.450 1.979 -1.013 519 HB2 GLU 68 1HB GLU 68 22.446 1.372 -1.037 520 HB3 GLU 68 2HB GLU 68 21.218 0.467 -1.917 521 HG2 GLU 68 1HG GLU 68 20.623 2.762 -2.998 522 HG3 GLU 68 2HG GLU 68 22.204 3.273 -2.409 523 H ASP 69 H ASP 69 20.576 -0.675 -0.610 524 HA ASP 69 HA ASP 69 20.951 -2.377 0.799 525 HB2 ASP 69 1HB ASP 69 21.916 -0.797 2.541 526 HB3 ASP 69 2HB ASP 69 20.305 -0.660 3.234 527 H PHE 70 H PHE 70 18.359 -0.601 2.537 528 HA PHE 70 HA PHE 70 16.409 -2.622 1.572 529 HB2 PHE 70 1HB PHE 70 15.344 -2.663 3.798 530 HB3 PHE 70 2HB PHE 70 17.018 -3.182 3.887 531 HD1 PHE 70 HD2 PHE 70 18.745 -1.668 4.930 532 HD2 PHE 70 HD1 PHE 70 14.585 -0.701 5.024 533 HE1 PHE 70 HE2 PHE 70 19.161 -0.053 6.734 534 HE2 PHE 70 HE1 PHE 70 15.009 0.914 6.826 535 HZ PHE 70 HZ PHE 70 17.294 1.243 7.684 536 H LEU 71 H LEU 71 14.240 -1.970 1.446 537 HA LEU 71 HA LEU 71 13.625 0.892 1.730 538 HB2 LEU 71 1HB LEU 71 11.629 0.383 0.224 539 HB3 LEU 71 2HB LEU 71 13.212 0.345 -0.514 540 HG LEU 71 HG LEU 71 13.034 -2.271 -0.179 541 HD11 LEU 71 1HD1 LEU 71 10.783 -3.198 -0.387 542 HD12 LEU 71 2HD1 LEU 71 10.082 -1.596 -0.145 543 HD13 LEU 71 3HD1 LEU 71 11.002 -2.365 1.150 544 HD21 LEU 71 3HD2 LEU 71 13.175 -1.191 -2.366 545 HD22 LEU 71 1HD2 LEU 71 11.439 -0.863 -2.344 546 HD23 LEU 71 2HD2 LEU 71 12.028 -2.529 -2.407 547 H ALA 72 H ALA 72 12.431 1.467 3.413 548 HA ALA 72 HA ALA 72 11.062 -0.610 5.013 549 HB1 ALA 72 3HB ALA 72 12.072 2.123 5.877 550 HB2 ALA 72 1HB ALA 72 12.888 0.583 6.152 551 HB3 ALA 72 2HB ALA 72 11.335 0.904 6.925 552 H VAL 73 H VAL 73 8.986 -0.622 5.053 553 HA VAL 73 HA VAL 73 7.301 1.551 4.030 554 HB VAL 73 HB VAL 73 6.730 -0.743 3.343 555 HG11 VAL 73 1HG1 VAL 73 5.860 -2.410 4.903 556 HG12 VAL 73 2HG1 VAL 73 6.202 -1.349 6.262 557 HG13 VAL 73 3HG1 VAL 73 7.527 -1.997 5.288 558 HG21 VAL 73 3HG2 VAL 73 4.309 -0.742 3.861 559 HG22 VAL 73 1HG2 VAL 73 4.882 0.877 3.463 560 HG23 VAL 73 2HG2 VAL 73 4.579 0.438 5.148 561 H GLN 74 H GLN 74 5.687 2.607 5.376 562 HA GLN 74 HA GLN 74 6.267 2.473 8.282 563 HB2 GLN 74 1HB GLN 74 5.263 4.858 6.653 564 HB3 GLN 74 2HB GLN 74 5.580 4.849 8.388 565 HG2 GLN 74 1HG GLN 74 7.641 4.528 6.181 566 HG3 GLN 74 2HG GLN 74 7.375 5.969 7.159 567 HE21 GLN 74 2HE2 GLN 74 8.816 2.807 7.042 568 HE22 GLN 74 1HE2 GLN 74 9.664 2.900 8.541 569 H THR 75 H THR 75 4.763 0.895 8.682 570 HA THR 75 HA THR 75 2.071 0.942 7.679 571 HB THR 75 HB THR 75 1.702 -1.005 9.245 572 HG1 THR 75 HG1 THR 75 3.397 -1.752 10.449 573 HG21 THR 75 3HG2 THR 75 3.164 -2.577 8.029 574 HG22 THR 75 1HG2 THR 75 4.120 -1.223 7.415 575 HG23 THR 75 2HG2 THR 75 2.433 -1.407 6.927 576 H SER 76 H SER 76 3.330 1.213 11.033 577 HA SER 76 HA SER 76 1.077 2.994 11.742 578 HB2 SER 76 1HB SER 76 1.935 0.582 13.409 579 HB3 SER 76 2HB SER 76 0.657 1.734 13.811 580 HG SER 76 HG SER 76 -0.192 1.017 11.619 581 H GLN 77 H GLN 77 1.502 4.347 13.555 582 HA GLN 77 HA GLN 77 4.253 5.131 13.886 583 HB2 GLN 77 1HB GLN 77 2.353 6.769 13.789 584 HB3 GLN 77 2HB GLN 77 1.757 6.145 15.322 585 HG2 GLN 77 1HG GLN 77 3.972 6.864 16.354 586 HG3 GLN 77 2HG GLN 77 4.346 7.660 14.824 587 HE21 GLN 77 2HE2 GLN 77 2.467 7.770 17.725 588 HE22 GLN 77 1HE2 GLN 77 1.807 9.349 17.499 589 H GLY 78 H GLY 78 5.545 4.802 15.598 590 HA2 GLY 78 1HA GLY 78 6.369 4.080 17.624 591 HA3 GLY 78 2HA GLY 78 4.722 4.050 18.222 592 H VAL 79 H VAL 79 5.895 2.160 15.467 593 HA VAL 79 HA VAL 79 5.996 -0.292 17.089 594 HB VAL 79 HB VAL 79 4.775 -1.660 15.498 595 HG11 VAL 79 1HG1 VAL 79 3.081 0.782 16.135 596 HG12 VAL 79 2HG1 VAL 79 3.401 -0.572 17.220 597 HG13 VAL 79 3HG1 VAL 79 2.475 -0.834 15.743 598 HG21 VAL 79 3HG2 VAL 79 4.356 0.822 13.786 599 HG22 VAL 79 1HG2 VAL 79 3.622 -0.757 13.489 600 HG23 VAL 79 2HG2 VAL 79 5.370 -0.563 13.379 601 HA PRO 80 HA PRO 80 9.618 -0.950 14.387 602 HB2 PRO 80 1HB PRO 80 9.620 -3.788 15.235 603 HB3 PRO 80 2HB PRO 80 10.813 -2.532 15.579 604 HG2 PRO 80 1HG PRO 80 9.177 -3.568 17.503 605 HG3 PRO 80 2HG PRO 80 9.767 -1.893 17.551 606 HD2 PRO 80 1HD PRO 80 7.077 -2.927 16.637 607 HD3 PRO 80 2HD PRO 80 7.459 -1.514 17.650 608 H VAL 81 H VAL 81 8.751 -0.838 12.278 609 HA VAL 81 HA VAL 81 6.881 -2.788 11.264 610 HB VAL 81 HB VAL 81 8.370 -0.665 9.639 611 HG11 VAL 81 1HG1 VAL 81 7.063 -2.137 8.247 612 HG12 VAL 81 2HG1 VAL 81 6.199 -0.610 8.343 613 HG13 VAL 81 3HG1 VAL 81 5.653 -1.988 9.298 614 HG21 VAL 81 3HG2 VAL 81 7.465 0.494 11.628 615 HG22 VAL 81 1HG2 VAL 81 5.860 -0.164 11.298 616 HG23 VAL 81 2HG2 VAL 81 6.597 0.979 10.170 617 H ARG 82 H ARG 82 7.673 -3.603 8.799 618 HA ARG 82 HA ARG 82 10.032 -5.259 9.396 619 HB2 ARG 82 1HB ARG 82 7.762 -6.350 8.831 620 HB3 ARG 82 2HB ARG 82 7.969 -5.735 7.202 621 HG2 ARG 82 1HG ARG 82 8.671 -8.033 7.231 622 HG3 ARG 82 2HG ARG 82 10.115 -7.034 7.028 623 HD2 ARG 82 1HD ARG 82 10.450 -8.893 8.659 624 HD3 ARG 82 2HD ARG 82 10.677 -7.300 9.394 625 HE ARG 82 HE ARG 82 8.144 -8.833 9.643 626 HH11 ARG 82 1HH1 ARG 82 10.708 -6.986 11.180 627 HH12 ARG 82 2HH1 ARG 82 9.918 -6.953 12.722 628 HH21 ARG 82 1HH2 ARG 82 7.112 -8.748 11.662 629 HH22 ARG 82 2HH2 ARG 82 7.871 -7.932 12.989 630 H ARG 83 H ARG 83 11.867 -4.983 8.160 631 HA ARG 83 HA ARG 83 11.852 -3.036 5.977 632 HB2 ARG 83 1HB ARG 83 14.119 -4.565 7.339 633 HB3 ARG 83 2HB ARG 83 14.333 -3.305 6.117 634 HG2 ARG 83 1HG ARG 83 13.437 -1.619 7.589 635 HG3 ARG 83 2HG ARG 83 12.937 -2.831 8.770 636 HD2 ARG 83 1HD ARG 83 15.265 -3.360 9.271 637 HD3 ARG 83 2HD ARG 83 15.819 -2.245 8.014 638 HE ARG 83 HE ARG 83 14.471 -0.542 9.468 639 HH11 ARG 83 1HH1 ARG 83 16.450 -3.149 10.756 640 HH12 ARG 83 2HH1 ARG 83 16.932 -2.238 12.151 641 HH21 ARG 83 1HH2 ARG 83 15.101 0.629 11.284 642 HH22 ARG 83 2HH2 ARG 83 16.160 -0.093 12.452 643 H PHE 84 H PHE 84 12.253 -3.576 3.892 644 HA PHE 84 HA PHE 84 12.488 -6.441 3.150 645 HB2 PHE 84 1HB PHE 84 10.808 -4.337 1.712 646 HB3 PHE 84 2HB PHE 84 11.004 -6.017 1.216 647 HD1 PHE 84 HD2 PHE 84 10.043 -7.850 2.634 648 HD2 PHE 84 HD1 PHE 84 9.230 -3.729 3.428 649 HE1 PHE 84 HE2 PHE 84 8.139 -8.492 4.040 650 HE2 PHE 84 HE1 PHE 84 7.335 -4.389 4.840 651 HZ PHE 84 HZ PHE 84 6.787 -6.766 5.146 652 H GLN 85 H GLN 85 13.674 -6.875 1.295 653 HA GLN 85 HA GLN 85 15.553 -4.762 0.425 654 HB2 GLN 85 1HB GLN 85 15.623 -7.786 0.001 655 HB3 GLN 85 2HB GLN 85 16.862 -6.652 -0.547 656 HG2 GLN 85 1HG GLN 85 17.411 -6.084 1.765 657 HG3 GLN 85 2HG GLN 85 16.095 -7.103 2.353 658 HE21 GLN 85 2HE2 GLN 85 19.286 -7.077 0.916 659 HE22 GLN 85 1HE2 GLN 85 19.669 -8.725 1.254 660 H THR 86 H THR 86 12.713 -6.395 -0.526 661 HA THR 86 HA THR 86 12.800 -5.262 -3.216 662 HB THR 86 HB THR 86 12.095 -8.206 -2.737 663 HG1 THR 86 HG1 THR 86 14.085 -8.710 -3.298 664 HG21 THR 86 3HG2 THR 86 12.074 -8.394 -5.197 665 HG22 THR 86 1HG2 THR 86 12.407 -6.667 -5.345 666 HG23 THR 86 2HG2 THR 86 10.875 -7.216 -4.655 667 H LEU 87 H LEU 87 10.786 -4.584 -3.875 668 HA LEU 87 HA LEU 87 8.690 -4.172 -2.037 669 HB2 LEU 87 1HB LEU 87 9.356 -2.789 -4.102 670 HB3 LEU 87 2HB LEU 87 8.522 -3.972 -5.078 671 HG LEU 87 HG LEU 87 7.284 -1.802 -4.648 672 HD11 LEU 87 1HD1 LEU 87 5.804 -4.281 -3.767 673 HD12 LEU 87 2HD1 LEU 87 6.075 -3.756 -5.430 674 HD13 LEU 87 3HD1 LEU 87 5.083 -2.777 -4.353 675 HD21 LEU 87 3HD2 LEU 87 7.935 -1.479 -2.302 676 HD22 LEU 87 1HD2 LEU 87 6.942 -2.862 -1.830 677 HD23 LEU 87 2HD2 LEU 87 6.187 -1.417 -2.511 678 H GLY 88 H GLY 88 9.199 -6.628 -4.558 679 HA2 GLY 88 1HA GLY 88 6.812 -8.016 -4.577 680 HA3 GLY 88 2HA GLY 88 8.385 -8.773 -4.752 681 H GLU 89 H GLU 89 9.444 -8.364 -2.184 682 HA GLU 89 HA GLU 89 8.349 -10.440 -0.602 683 HB2 GLU 89 1HB GLU 89 10.186 -8.169 0.270 684 HB3 GLU 89 2HB GLU 89 9.867 -9.628 1.206 685 HG2 GLU 89 1HG GLU 89 10.920 -10.980 -0.587 686 HG3 GLU 89 2HG GLU 89 11.275 -9.494 -1.475 687 H LEU 90 H LEU 90 7.943 -6.978 -0.571 688 HA LEU 90 HA LEU 90 6.704 -6.609 1.909 689 HB2 LEU 90 1HB LEU 90 7.764 -4.855 0.523 690 HB3 LEU 90 2HB LEU 90 6.444 -4.941 -0.618 691 HG LEU 90 HG LEU 90 5.766 -4.268 2.244 692 HD11 LEU 90 1HD1 LEU 90 7.743 -2.895 1.817 693 HD12 LEU 90 2HD1 LEU 90 6.291 -1.902 1.921 694 HD13 LEU 90 3HD1 LEU 90 7.005 -2.256 0.343 695 HD21 LEU 90 3HD2 LEU 90 4.055 -2.826 1.225 696 HD22 LEU 90 1HD2 LEU 90 3.927 -4.470 0.603 697 HD23 LEU 90 2HD2 LEU 90 4.658 -3.208 -0.391 698 H ILE 91 H ILE 91 5.174 -6.825 -1.331 699 HA ILE 91 HA ILE 91 2.492 -6.827 -0.377 700 HB ILE 91 HB ILE 91 3.608 -7.819 -3.037 701 HG12 ILE 91 1HG1 ILE 91 2.398 -5.134 -2.227 702 HG13 ILE 91 2HG1 ILE 91 4.072 -5.437 -2.681 703 HG21 ILE 91 1HG2 ILE 91 1.307 -7.619 -3.940 704 HG22 ILE 91 2HG2 ILE 91 0.703 -7.231 -2.328 705 HG23 ILE 91 3HG2 ILE 91 1.391 -8.823 -2.650 706 HD11 ILE 91 3HD1 ILE 91 1.659 -5.588 -4.477 707 HD12 ILE 91 1HD1 ILE 91 3.304 -6.017 -4.958 708 HD13 ILE 91 2HD1 ILE 91 2.926 -4.363 -4.484 709 H GLY 92 H GLY 92 4.778 -9.391 -1.189 710 HA2 GLY 92 1HA GLY 92 3.232 -11.686 -0.989 711 HA3 GLY 92 2HA GLY 92 4.928 -11.587 -0.537 712 H LEU 93 H LEU 93 5.025 -10.086 1.655 713 HA LEU 93 HA LEU 93 4.044 -11.818 3.699 714 HB2 LEU 93 1HB LEU 93 6.234 -10.656 3.862 715 HB3 LEU 93 2HB LEU 93 5.409 -9.108 3.952 716 HG LEU 93 HG LEU 93 4.363 -9.824 6.124 717 HD11 LEU 93 1HD1 LEU 93 6.140 -12.274 5.897 718 HD12 LEU 93 2HD1 LEU 93 4.374 -12.243 5.828 719 HD13 LEU 93 3HD1 LEU 93 5.204 -11.797 7.316 720 HD21 LEU 93 3HD2 LEU 93 6.396 -8.462 6.145 721 HD22 LEU 93 1HD2 LEU 93 7.397 -9.915 6.120 722 HD23 LEU 93 2HD2 LEU 93 6.367 -9.569 7.513 723 H TYR 94 H TYR 94 3.155 -8.518 2.646 724 HA TYR 94 HA TYR 94 1.229 -8.203 4.797 725 HB2 TYR 94 1HB TYR 94 2.098 -6.348 2.564 726 HB3 TYR 94 2HB TYR 94 0.796 -5.933 3.680 727 HD1 TYR 94 HD1 TYR 94 1.811 -6.991 6.256 728 HD2 TYR 94 HD2 TYR 94 3.881 -4.875 3.172 729 HE1 TYR 94 HE1 TYR 94 3.409 -6.137 7.910 730 HE2 TYR 94 HE2 TYR 94 5.472 -4.052 4.829 731 HH TYR 94 HH TYR 94 5.673 -5.259 8.012 732 H ALA 95 H ALA 95 0.958 -9.686 1.754 733 HA ALA 95 HA ALA 95 -1.805 -9.565 1.381 734 HB1 ALA 95 3HB ALA 95 -1.592 -11.863 0.499 735 HB2 ALA 95 1HB ALA 95 0.006 -12.006 1.242 736 HB3 ALA 95 2HB ALA 95 -0.261 -10.849 -0.062 737 H GLN 96 H GLN 96 0.104 -10.857 3.933 738 HA GLN 96 HA GLN 96 -2.163 -11.967 5.454 739 HB2 GLN 96 1HB GLN 96 0.782 -11.843 6.267 740 HB3 GLN 96 2HB GLN 96 -0.489 -12.823 7.003 741 HG2 GLN 96 1HG GLN 96 -0.628 -14.219 5.015 742 HG3 GLN 96 2HG GLN 96 0.524 -13.189 4.162 743 HE21 GLN 96 2HE2 GLN 96 2.712 -13.164 4.888 744 HE22 GLN 96 1HE2 GLN 96 3.372 -14.509 5.747 745 HA PRO 97 HA PRO 97 -2.309 -7.825 7.342 746 HB2 PRO 97 1HB PRO 97 -4.450 -8.169 8.945 747 HB3 PRO 97 2HB PRO 97 -4.627 -8.244 7.183 748 HG2 PRO 97 1HG PRO 97 -4.378 -10.520 9.161 749 HG3 PRO 97 2HG PRO 97 -5.558 -10.315 7.846 750 HD2 PRO 97 1HD PRO 97 -3.281 -11.837 7.598 751 HD3 PRO 97 2HD PRO 97 -4.060 -11.018 6.225 752 H ASN 98 H ASN 98 -3.113 -7.367 9.978 753 HA ASN 98 HA ASN 98 -2.603 -7.339 12.193 754 HB2 ASN 98 1HB ASN 98 -1.433 -10.122 11.749 755 HB3 ASN 98 2HB ASN 98 -1.836 -9.426 13.314 756 HD21 ASN 98 2HD2 ASN 98 -2.798 -11.876 12.094 757 HD22 ASN 98 1HD2 ASN 98 -4.520 -11.748 12.042 758 H GLN 99 H GLN 99 -0.931 -5.863 10.738 759 HA GLN 99 HA GLN 99 1.469 -5.754 12.298 760 HB2 GLN 99 1HB GLN 99 1.913 -7.583 10.474 761 HB3 GLN 99 2HB GLN 99 2.019 -6.245 9.336 762 HG2 GLN 99 1HG GLN 99 3.908 -5.301 10.608 763 HG3 GLN 99 2HG GLN 99 3.763 -6.583 11.807 764 HE21 GLN 99 2HE2 GLN 99 3.295 -8.676 9.736 765 HE22 GLN 99 1HE2 GLN 99 4.834 -8.944 9.011 766 H GLY 100 H GLY 100 -0.930 -4.175 10.842 767 HA2 GLY 100 1HA GLY 100 -0.724 -1.728 11.303 768 HA3 GLY 100 2HA GLY 100 0.668 -1.751 10.237 769 H LEU 101 H LEU 101 -1.087 -3.871 8.707 770 HA LEU 101 HA LEU 101 -2.171 -2.039 6.767 771 HB2 LEU 101 1HB LEU 101 -1.853 -5.047 6.954 772 HB3 LEU 101 2HB LEU 101 -2.912 -4.376 5.730 773 HG LEU 101 HG LEU 101 -0.610 -4.929 4.903 774 HD11 LEU 101 1HD1 LEU 101 -1.344 -2.005 4.673 775 HD12 LEU 101 2HD1 LEU 101 -1.991 -3.326 3.697 776 HD13 LEU 101 3HD1 LEU 101 -0.282 -2.909 3.586 777 HD21 LEU 101 3HD2 LEU 101 1.297 -3.534 5.463 778 HD22 LEU 101 1HD2 LEU 101 0.667 -4.318 6.912 779 HD23 LEU 101 2HD2 LEU 101 0.326 -2.613 6.615 780 H VAL 102 H VAL 102 -4.103 -1.123 7.004 781 HA VAL 102 HA VAL 102 -6.281 -1.825 8.543 782 HB VAL 102 HB VAL 102 -5.971 0.390 7.443 783 HG11 VAL 102 1HG1 VAL 102 -6.645 0.796 5.104 784 HG12 VAL 102 2HG1 VAL 102 -6.879 -0.936 4.861 785 HG13 VAL 102 3HG1 VAL 102 -5.267 -0.304 5.199 786 HG21 VAL 102 3HG2 VAL 102 -8.676 -0.852 6.845 787 HG22 VAL 102 1HG2 VAL 102 -8.339 0.877 6.991 788 HG23 VAL 102 2HG2 VAL 102 -8.162 -0.178 8.392 789 H CYS 103 H CYS 103 -5.358 -2.981 5.379 790 HA CYS 103 HA CYS 103 -7.407 -5.096 5.479 791 HB2 CYS 103 1HB CYS 103 -8.225 -3.360 3.922 792 HB3 CYS 103 2HB CYS 103 -6.717 -3.423 3.029 793 HG CYS 103 HG CYS 103 -7.253 -5.510 1.567 794 H ALA 104 H ALA 104 -6.678 -7.059 4.748 795 HA ALA 104 HA ALA 104 -3.900 -7.566 4.224 796 HB1 ALA 104 3HB ALA 104 -6.355 -9.320 3.773 797 HB2 ALA 104 1HB ALA 104 -5.368 -9.270 5.239 798 HB3 ALA 104 2HB ALA 104 -4.680 -9.873 3.732 799 H LEU 105 H LEU 105 -2.938 -8.013 2.183 800 HA LEU 105 HA LEU 105 -4.088 -6.409 0.043 801 HB2 LEU 105 1HB LEU 105 -1.456 -7.947 0.062 802 HB3 LEU 105 2HB LEU 105 -1.969 -6.792 -1.162 803 HG LEU 105 HG LEU 105 -1.232 -6.194 1.733 804 HD11 LEU 105 1HD1 LEU 105 0.689 -6.508 0.274 805 HD12 LEU 105 2HD1 LEU 105 0.561 -4.828 0.787 806 HD13 LEU 105 3HD1 LEU 105 0.078 -5.290 -0.849 807 HD21 LEU 105 3HD2 LEU 105 -1.669 -3.816 1.289 808 HD22 LEU 105 1HD2 LEU 105 -3.140 -4.778 1.168 809 HD23 LEU 105 2HD2 LEU 105 -2.330 -4.221 -0.297 810 H LEU 106 H LEU 106 -5.806 -7.425 -0.753 811 HA LEU 106 HA LEU 106 -5.724 -10.312 -1.409 812 HB2 LEU 106 1HB LEU 106 -7.517 -9.536 0.145 813 HB3 LEU 106 2HB LEU 106 -8.145 -8.486 -1.113 814 HG LEU 106 HG LEU 106 -8.672 -10.489 -2.520 815 HD11 LEU 106 1HD1 LEU 106 -8.617 -12.742 -1.542 816 HD12 LEU 106 2HD1 LEU 106 -7.795 -12.114 -0.111 817 HD13 LEU 106 3HD1 LEU 106 -6.999 -12.058 -1.688 818 HD21 LEU 106 3HD2 LEU 106 -10.600 -11.290 -1.210 819 HD22 LEU 106 1HD2 LEU 106 -10.429 -9.539 -1.127 820 HD23 LEU 106 2HD2 LEU 106 -9.932 -10.536 0.240 821 H LEU 107 H LEU 107 -6.936 -7.253 -2.815 822 HA LEU 107 HA LEU 107 -6.630 -8.287 -5.532 823 HB2 LEU 107 1HB LEU 107 -9.325 -7.510 -4.354 824 HB3 LEU 107 2HB LEU 107 -9.029 -7.461 -6.085 825 HG LEU 107 HG LEU 107 -8.864 -9.957 -4.349 826 HD11 LEU 107 1HD1 LEU 107 -10.967 -9.143 -6.379 827 HD12 LEU 107 2HD1 LEU 107 -11.169 -9.205 -4.626 828 HD13 LEU 107 3HD1 LEU 107 -10.888 -10.693 -5.527 829 HD21 LEU 107 3HD2 LEU 107 -8.541 -9.671 -7.362 830 HD22 LEU 107 1HD2 LEU 107 -8.611 -11.199 -6.473 831 HD23 LEU 107 2HD2 LEU 107 -7.272 -10.087 -6.210 832 HA PRO 108 HA PRO 108 -5.098 -4.095 -5.731 833 HB2 PRO 108 1HB PRO 108 -4.751 -3.927 -8.495 834 HB3 PRO 108 2HB PRO 108 -3.605 -4.681 -7.383 835 HG2 PRO 108 1HG PRO 108 -5.712 -5.965 -9.100 836 HG3 PRO 108 2HG PRO 108 -4.053 -6.508 -8.763 837 HD2 PRO 108 1HD PRO 108 -6.193 -7.611 -7.519 838 HD3 PRO 108 2HD PRO 108 -4.632 -7.420 -6.694 839 H VAL 109 H VAL 109 -7.049 -4.488 -8.678 840 HA VAL 109 HA VAL 109 -8.945 -2.399 -7.813 841 HB VAL 109 HB VAL 109 -7.364 -2.352 -10.435 842 HG11 VAL 109 1HG1 VAL 109 -9.711 -1.857 -10.959 843 HG12 VAL 109 2HG1 VAL 109 -8.736 -0.394 -11.098 844 HG13 VAL 109 3HG1 VAL 109 -9.762 -0.639 -9.683 845 HG21 VAL 109 3HG2 VAL 109 -7.576 -0.340 -8.147 846 HG22 VAL 109 1HG2 VAL 109 -6.733 -0.036 -9.677 847 HG23 VAL 109 2HG2 VAL 109 -6.158 -1.297 -8.586 Start of MODEL 19 1 H1 MET 1 1H MET 1 -22.698 -23.187 -24.816 2 H2 MET 1 2H MET 1 -21.133 -23.582 -24.324 3 H3 MET 1 3H MET 1 -22.095 -24.741 -25.088 4 HA MET 1 HA MET 1 -20.436 -23.869 -26.593 5 HB2 MET 1 1HB MET 1 -22.567 -24.623 -27.547 6 HB3 MET 1 2HB MET 1 -23.306 -23.063 -27.218 7 HG2 MET 1 1HG MET 1 -21.819 -22.003 -28.865 8 HG3 MET 1 2HG MET 1 -21.043 -23.556 -29.165 9 HE1 MET 1 3HE MET 1 -24.945 -22.983 -28.607 10 HE2 MET 1 1HE MET 1 -25.471 -22.693 -30.269 11 HE3 MET 1 2HE MET 1 -24.434 -21.525 -29.463 12 H GLY 2 H GLY 2 -19.093 -22.189 -26.946 13 HA2 GLY 2 1HA GLY 2 -18.445 -20.079 -27.613 14 HA3 GLY 2 2HA GLY 2 -20.092 -19.509 -27.415 15 H HIS 3 H HIS 3 -18.958 -21.107 -24.625 16 HA HIS 3 HA HIS 3 -18.661 -18.592 -23.176 17 HB2 HIS 3 1HB HIS 3 -19.908 -20.411 -22.096 18 HB3 HIS 3 2HB HIS 3 -18.511 -21.472 -22.201 19 HD1 HIS 3 HD1 HIS 3 -16.741 -21.269 -20.405 20 HD2 HIS 3 HD2 HIS 3 -19.655 -18.324 -20.111 21 HE1 HIS 3 HE1 HIS 3 -16.355 -20.166 -18.188 22 HE2 HIS 3 HE2 HIS 3 -18.092 -18.356 -18.045 23 H HIS 4 H HIS 4 -16.768 -17.628 -23.659 24 HA HIS 4 HA HIS 4 -14.287 -18.962 -22.814 25 HB2 HIS 4 1HB HIS 4 -14.187 -19.077 -25.250 26 HB3 HIS 4 2HB HIS 4 -14.629 -17.381 -25.403 27 HD1 HIS 4 HD1 HIS 4 -12.619 -16.162 -26.206 28 HD2 HIS 4 HD2 HIS 4 -11.635 -19.078 -23.416 29 HE1 HIS 4 HE1 HIS 4 -10.151 -15.932 -25.841 30 HE2 HIS 4 HE2 HIS 4 -9.549 -17.866 -24.343 31 H HIS 5 H HIS 5 -14.613 -17.842 -20.899 32 HA HIS 5 HA HIS 5 -14.029 -14.950 -20.948 33 HB2 HIS 5 1HB HIS 5 -15.909 -15.638 -19.488 34 HB3 HIS 5 2HB HIS 5 -14.877 -16.793 -18.659 35 HD1 HIS 5 HD1 HIS 5 -15.722 -13.163 -18.835 36 HD2 HIS 5 HD2 HIS 5 -13.154 -15.650 -16.720 37 HE1 HIS 5 HE1 HIS 5 -14.877 -11.780 -16.920 38 HE2 HIS 5 HE2 HIS 5 -13.453 -13.355 -15.564 39 H HIS 6 H HIS 6 -11.887 -15.250 -21.707 40 HA HIS 6 HA HIS 6 -9.914 -16.643 -20.107 41 HB2 HIS 6 1HB HIS 6 -9.614 -16.306 -22.578 42 HB3 HIS 6 2HB HIS 6 -9.497 -14.572 -22.321 43 HD1 HIS 6 HD1 HIS 6 -7.279 -13.704 -21.161 44 HD2 HIS 6 HD2 HIS 6 -7.296 -17.745 -22.071 45 HE1 HIS 6 HE1 HIS 6 -4.905 -14.441 -20.941 46 HE2 HIS 6 HE2 HIS 6 -4.971 -16.923 -21.336 47 H HIS 7 H HIS 7 -8.929 -15.796 -18.337 48 HA HIS 7 HA HIS 7 -9.673 -13.200 -17.347 49 HB2 HIS 7 1HB HIS 7 -9.350 -15.133 -15.811 50 HB3 HIS 7 2HB HIS 7 -7.641 -15.192 -16.242 51 HD1 HIS 7 HD1 HIS 7 -10.057 -12.568 -14.849 52 HD2 HIS 7 HD2 HIS 7 -6.140 -13.875 -14.376 53 HE1 HIS 7 HE1 HIS 7 -9.057 -11.087 -13.085 54 HE2 HIS 7 HE2 HIS 7 -6.752 -12.018 -12.698 55 H HIS 8 H HIS 8 -8.627 -11.325 -17.639 56 HA HIS 8 HA HIS 8 -6.236 -11.084 -19.192 57 HB2 HIS 8 1HB HIS 8 -7.996 -9.101 -17.734 58 HB3 HIS 8 2HB HIS 8 -6.425 -8.583 -18.342 59 HD1 HIS 8 HD1 HIS 8 -9.878 -8.872 -19.350 60 HD2 HIS 8 HD2 HIS 8 -6.196 -9.065 -21.263 61 HE1 HIS 8 HE1 HIS 8 -10.360 -8.447 -21.775 62 HE2 HIS 8 HE2 HIS 8 -8.134 -8.690 -22.929 63 H SER 9 H SER 9 -4.373 -9.768 -18.421 64 HA SER 9 HA SER 9 -2.962 -11.371 -16.598 65 HB2 SER 9 1HB SER 9 -2.159 -8.649 -17.695 66 HB3 SER 9 2HB SER 9 -1.076 -9.916 -17.121 67 HG SER 9 HG SER 9 -2.537 -9.752 -19.490 68 H HIS 10 H HIS 10 -1.758 -10.712 -14.672 69 HA HIS 10 HA HIS 10 -3.067 -9.130 -12.704 70 HB2 HIS 10 1HB HIS 10 -0.115 -9.921 -12.902 71 HB3 HIS 10 2HB HIS 10 -0.872 -9.238 -11.466 72 HD1 HIS 10 HD1 HIS 10 0.174 -12.367 -12.691 73 HD2 HIS 10 HD2 HIS 10 -3.245 -11.068 -10.721 74 HE1 HIS 10 HE1 HIS 10 -0.800 -14.416 -11.617 75 HE2 HIS 10 HE2 HIS 10 -2.906 -13.619 -10.483 76 H MET 11 H MET 11 -0.664 -8.454 -15.157 77 HA MET 11 HA MET 11 -0.039 -6.643 -16.286 78 HB2 MET 11 1HB MET 11 -2.483 -6.311 -16.550 79 HB3 MET 11 2HB MET 11 -2.525 -5.363 -15.073 80 HG2 MET 11 1HG MET 11 -0.844 -4.500 -17.419 81 HG3 MET 11 2HG MET 11 -2.564 -4.123 -17.337 82 HE1 MET 11 3HE MET 11 -0.684 -0.717 -16.456 83 HE2 MET 11 1HE MET 11 -1.792 -1.490 -17.591 84 HE3 MET 11 2HE MET 11 -0.094 -1.967 -17.549 85 H SER 12 H SER 12 -1.326 -4.648 -13.671 86 HA SER 12 HA SER 12 1.047 -4.328 -12.148 87 HB2 SER 12 1HB SER 12 0.318 -2.010 -14.018 88 HB3 SER 12 2HB SER 12 1.452 -1.893 -12.676 89 HG SER 12 HG SER 12 1.721 -3.411 -15.060 90 H TRP 13 H TRP 13 0.119 -4.024 -10.155 91 HA TRP 13 HA TRP 13 -2.074 -2.082 -9.832 92 HB2 TRP 13 1HB TRP 13 -1.601 -2.933 -7.290 93 HB3 TRP 13 2HB TRP 13 -2.657 -3.812 -8.386 94 HD1 TRP 13 HD1 TRP 13 -1.991 -6.257 -9.003 95 HE1 TRP 13 HE1 TRP 13 -0.046 -7.807 -8.400 96 HE3 TRP 13 HE3 TRP 13 1.086 -2.867 -6.732 97 HZ2 TRP 13 HZ2 TRP 13 2.483 -7.638 -7.179 98 HZ3 TRP 13 HZ3 TRP 13 3.261 -3.635 -5.905 99 HH2 TRP 13 HH2 TRP 13 3.952 -5.973 -6.117 100 H TYR 14 H TYR 14 1.321 -2.588 -9.581 101 HA TYR 14 HA TYR 14 1.947 -0.099 -8.258 102 HB2 TYR 14 1HB TYR 14 3.650 -1.856 -8.236 103 HB3 TYR 14 2HB TYR 14 3.669 -1.926 -9.998 104 HD1 TYR 14 HD2 TYR 14 3.894 0.857 -7.465 105 HD2 TYR 14 HD1 TYR 14 5.694 -1.002 -10.862 106 HE1 TYR 14 HE2 TYR 14 5.614 2.593 -7.503 107 HE2 TYR 14 HE1 TYR 14 7.419 0.758 -10.902 108 HH TYR 14 HH TYR 14 7.794 3.026 -8.306 109 H HIS 15 H HIS 15 1.148 1.676 -9.192 110 HA HIS 15 HA HIS 15 1.493 2.156 -12.085 111 HB2 HIS 15 1HB HIS 15 -0.553 3.449 -10.212 112 HB3 HIS 15 2HB HIS 15 -0.406 3.731 -11.943 113 HD1 HIS 15 HD1 HIS 15 -0.924 1.552 -13.461 114 HD2 HIS 15 HD2 HIS 15 -2.279 1.456 -9.547 115 HE1 HIS 15 HE1 HIS 15 -2.594 -0.303 -13.385 116 HE2 HIS 15 HE2 HIS 15 -3.245 -0.466 -10.970 117 H ARG 16 H ARG 16 3.425 3.189 -12.122 118 HA ARG 16 HA ARG 16 4.752 4.098 -9.859 119 HB2 ARG 16 1HB ARG 16 6.553 4.831 -11.327 120 HB3 ARG 16 2HB ARG 16 5.902 3.291 -11.894 121 HG2 ARG 16 1HG ARG 16 4.675 4.445 -13.686 122 HG3 ARG 16 2HG ARG 16 5.232 6.012 -13.090 123 HD2 ARG 16 1HD ARG 16 7.602 5.215 -13.528 124 HD3 ARG 16 2HD ARG 16 6.904 3.802 -14.329 125 HE ARG 16 HE ARG 16 5.856 6.242 -15.388 126 HH11 ARG 16 1HH1 ARG 16 8.614 4.090 -15.578 127 HH12 ARG 16 2HH1 ARG 16 9.139 4.701 -17.113 128 HH21 ARG 16 1HH2 ARG 16 6.549 7.038 -17.376 129 HH22 ARG 16 2HH2 ARG 16 7.956 6.360 -18.135 130 H ASP 17 H ASP 17 2.957 6.073 -12.262 131 HA ASP 17 HA ASP 17 3.300 8.403 -10.493 132 HB2 ASP 17 1HB ASP 17 4.695 8.666 -12.580 133 HB3 ASP 17 2HB ASP 17 3.257 8.427 -13.570 134 H LEU 18 H LEU 18 1.396 7.747 -9.528 135 HA LEU 18 HA LEU 18 -1.061 7.898 -11.173 136 HB2 LEU 18 1HB LEU 18 -0.544 5.676 -10.099 137 HB3 LEU 18 2HB LEU 18 -0.723 6.452 -8.531 138 HG LEU 18 HG LEU 18 -3.099 6.910 -8.985 139 HD11 LEU 18 1HD1 LEU 18 -3.047 7.252 -11.409 140 HD12 LEU 18 2HD1 LEU 18 -4.241 6.032 -10.976 141 HD13 LEU 18 3HD1 LEU 18 -2.694 5.537 -11.664 142 HD21 LEU 18 3HD2 LEU 18 -2.395 4.016 -9.526 143 HD22 LEU 18 1HD2 LEU 18 -3.940 4.623 -8.921 144 HD23 LEU 18 2HD2 LEU 18 -2.487 4.780 -7.936 145 H SER 19 H SER 19 0.204 8.692 -7.927 146 HA SER 19 HA SER 19 0.061 10.597 -6.689 147 HB2 SER 19 1HB SER 19 -0.168 12.057 -8.652 148 HB3 SER 19 2HB SER 19 -1.876 11.660 -8.788 149 HG SER 19 HG SER 19 -0.574 13.146 -6.778 150 H ARG 20 H ARG 20 -1.481 11.524 -5.079 151 HA ARG 20 HA ARG 20 -2.862 9.405 -3.888 152 HB2 ARG 20 1HB ARG 20 -1.966 11.194 -2.514 153 HB3 ARG 20 2HB ARG 20 -3.029 12.380 -3.267 154 HG2 ARG 20 1HG ARG 20 -5.003 11.227 -2.296 155 HG3 ARG 20 2HG ARG 20 -3.935 10.046 -1.538 156 HD2 ARG 20 1HD ARG 20 -2.958 11.787 -0.130 157 HD3 ARG 20 2HD ARG 20 -3.912 13.027 -0.956 158 HE ARG 20 HE ARG 20 -5.777 12.399 0.239 159 HH11 ARG 20 1HH1 ARG 20 -3.277 9.977 0.848 160 HH12 ARG 20 2HH1 ARG 20 -4.171 9.232 2.131 161 HH21 ARG 20 1HH2 ARG 20 -6.907 11.394 1.907 162 HH22 ARG 20 2HH2 ARG 20 -6.222 10.031 2.735 163 H ALA 21 H ALA 21 -4.231 12.296 -5.487 164 HA ALA 21 HA ALA 21 -6.922 11.881 -4.972 165 HB1 ALA 21 3HB ALA 21 -7.360 13.412 -6.858 166 HB2 ALA 21 1HB ALA 21 -5.689 13.219 -7.402 167 HB3 ALA 21 2HB ALA 21 -6.028 13.986 -5.850 168 H ALA 22 H ALA 22 -5.140 10.957 -7.938 169 HA ALA 22 HA ALA 22 -7.319 9.602 -9.171 170 HB1 ALA 22 3HB ALA 22 -4.355 9.360 -9.780 171 HB2 ALA 22 1HB ALA 22 -5.456 10.558 -10.469 172 HB3 ALA 22 2HB ALA 22 -5.679 8.847 -10.830 173 H ALA 23 H ALA 23 -4.725 8.553 -7.020 174 HA ALA 23 HA ALA 23 -4.952 5.747 -7.339 175 HB1 ALA 23 3HB ALA 23 -2.997 6.772 -6.267 176 HB2 ALA 23 1HB ALA 23 -3.741 5.596 -5.182 177 HB3 ALA 23 2HB ALA 23 -3.994 7.322 -4.919 178 H GLU 24 H GLU 24 -6.142 7.781 -4.695 179 HA GLU 24 HA GLU 24 -7.720 6.004 -3.311 180 HB2 GLU 24 1HB GLU 24 -6.999 8.161 -2.440 181 HB3 GLU 24 2HB GLU 24 -7.922 9.021 -3.667 182 HG2 GLU 24 1HG GLU 24 -10.019 8.213 -2.650 183 HG3 GLU 24 2HG GLU 24 -9.089 7.338 -1.435 184 H GLU 25 H GLU 25 -8.568 8.148 -5.974 185 HA GLU 25 HA GLU 25 -11.365 7.637 -6.015 186 HB2 GLU 25 1HB GLU 25 -10.340 9.674 -7.000 187 HB3 GLU 25 2HB GLU 25 -9.569 8.693 -8.238 188 HG2 GLU 25 1HG GLU 25 -11.730 8.108 -9.190 189 HG3 GLU 25 2HG GLU 25 -12.570 8.937 -7.874 190 H LEU 26 H LEU 26 -8.615 6.314 -7.834 191 HA LEU 26 HA LEU 26 -9.964 4.450 -9.434 192 HB2 LEU 26 1HB LEU 26 -7.588 5.146 -9.712 193 HB3 LEU 26 2HB LEU 26 -7.162 4.229 -8.279 194 HG LEU 26 HG LEU 26 -7.747 2.122 -9.424 195 HD11 LEU 26 1HD1 LEU 26 -9.528 2.886 -10.894 196 HD12 LEU 26 2HD1 LEU 26 -8.277 2.069 -11.827 197 HD13 LEU 26 3HD1 LEU 26 -8.378 3.833 -11.850 198 HD21 LEU 26 3HD2 LEU 26 -5.431 2.953 -9.562 199 HD22 LEU 26 1HD2 LEU 26 -5.816 3.826 -11.047 200 HD23 LEU 26 2HD2 LEU 26 -5.874 2.062 -11.013 201 H LEU 27 H LEU 27 -8.772 4.158 -6.117 202 HA LEU 27 HA LEU 27 -9.333 1.390 -5.730 203 HB2 LEU 27 1HB LEU 27 -9.067 3.651 -3.717 204 HB3 LEU 27 2HB LEU 27 -9.204 1.952 -3.273 205 HG LEU 27 HG LEU 27 -6.919 3.187 -4.856 206 HD11 LEU 27 1HD1 LEU 27 -5.559 2.776 -2.860 207 HD12 LEU 27 2HD1 LEU 27 -6.991 2.223 -1.983 208 HD13 LEU 27 3HD1 LEU 27 -6.878 3.900 -2.533 209 HD21 LEU 27 3HD2 LEU 27 -7.294 0.874 -5.550 210 HD22 LEU 27 1HD2 LEU 27 -7.256 0.332 -3.871 211 HD23 LEU 27 2HD2 LEU 27 -5.808 1.002 -4.619 212 H ALA 28 H ALA 28 -11.226 4.306 -5.502 213 HA ALA 28 HA ALA 28 -13.468 3.159 -4.095 214 HB1 ALA 28 3HB ALA 28 -13.206 5.805 -5.559 215 HB2 ALA 28 1HB ALA 28 -12.879 5.534 -3.845 216 HB3 ALA 28 2HB ALA 28 -14.521 5.357 -4.468 217 H ARG 29 H ARG 29 -12.938 4.278 -7.453 218 HA ARG 29 HA ARG 29 -15.540 3.653 -8.382 219 HB2 ARG 29 1HB ARG 29 -14.710 4.173 -10.635 220 HB3 ARG 29 2HB ARG 29 -14.166 5.388 -9.485 221 HG2 ARG 29 1HG ARG 29 -11.919 4.480 -9.473 222 HG3 ARG 29 2HG ARG 29 -12.418 3.090 -10.429 223 HD2 ARG 29 1HD ARG 29 -11.230 4.650 -11.844 224 HD3 ARG 29 2HD ARG 29 -12.928 4.601 -12.331 225 HE ARG 29 HE ARG 29 -11.771 6.755 -10.650 226 HH11 ARG 29 1HH1 ARG 29 -13.857 5.754 -13.293 227 HH12 ARG 29 2HH1 ARG 29 -14.274 7.377 -13.730 228 HH21 ARG 29 1HH2 ARG 29 -12.323 8.868 -11.249 229 HH22 ARG 29 2HH2 ARG 29 -13.396 9.140 -12.583 230 H ALA 30 H ALA 30 -12.422 1.957 -8.615 231 HA ALA 30 HA ALA 30 -13.559 -0.158 -10.288 232 HB1 ALA 30 3HB ALA 30 -10.705 0.271 -9.337 233 HB2 ALA 30 1HB ALA 30 -11.365 0.761 -10.899 234 HB3 ALA 30 2HB ALA 30 -11.239 -0.954 -10.495 235 H GLY 31 H GLY 31 -11.646 -0.013 -7.190 236 HA2 GLY 31 1HA GLY 31 -12.135 -2.817 -6.692 237 HA3 GLY 31 2HA GLY 31 -11.195 -1.705 -5.718 238 H ARG 32 H ARG 32 -13.159 0.254 -5.282 239 HA ARG 32 HA ARG 32 -14.974 0.909 -4.146 240 HB2 ARG 32 1HB ARG 32 -16.307 -0.540 -5.563 241 HB3 ARG 32 2HB ARG 32 -15.936 -1.944 -4.593 242 HG2 ARG 32 1HG ARG 32 -17.440 0.338 -3.323 243 HG3 ARG 32 2HG ARG 32 -18.294 -0.734 -4.430 244 HD2 ARG 32 1HD ARG 32 -17.719 -2.666 -3.039 245 HD3 ARG 32 2HD ARG 32 -16.787 -1.636 -1.952 246 HE ARG 32 HE ARG 32 -19.445 -0.687 -2.095 247 HH11 ARG 32 1HH1 ARG 32 -17.654 -3.427 -0.786 248 HH12 ARG 32 2HH1 ARG 32 -18.743 -3.654 0.544 249 HH21 ARG 32 1HH2 ARG 32 -20.869 -1.020 -0.356 250 HH22 ARG 32 2HH2 ARG 32 -20.576 -2.302 0.772 251 H ASP 33 H ASP 33 -12.878 -1.522 -2.816 252 HA ASP 33 HA ASP 33 -13.095 -1.034 -0.163 253 HB2 ASP 33 1HB ASP 33 -15.510 -1.680 -0.263 254 HB3 ASP 33 2HB ASP 33 -15.070 -3.259 -0.911 255 H GLY 34 H GLY 34 -11.570 -2.343 0.968 256 HA2 GLY 34 1HA GLY 34 -10.025 -3.988 1.354 257 HA3 GLY 34 2HA GLY 34 -10.839 -5.005 0.173 258 H SER 35 H SER 35 -9.975 -1.916 -0.932 259 HA SER 35 HA SER 35 -8.392 -3.139 -3.008 260 HB2 SER 35 1HB SER 35 -9.333 -0.262 -2.694 261 HB3 SER 35 2HB SER 35 -8.808 -1.057 -4.180 262 HG SER 35 HG SER 35 -10.709 -2.577 -3.283 263 H PHE 36 H PHE 36 -6.251 -2.591 -3.521 264 HA PHE 36 HA PHE 36 -4.866 -0.475 -2.099 265 HB2 PHE 36 1HB PHE 36 -3.068 -1.827 -1.234 266 HB3 PHE 36 2HB PHE 36 -4.558 -2.576 -0.683 267 HD1 PHE 36 HD2 PHE 36 -5.408 -4.668 -1.973 268 HD2 PHE 36 HD1 PHE 36 -1.448 -3.107 -2.456 269 HE1 PHE 36 HE2 PHE 36 -4.660 -6.820 -2.903 270 HE2 PHE 36 HE1 PHE 36 -0.721 -5.262 -3.396 271 HZ PHE 36 HZ PHE 36 -2.324 -7.121 -3.615 272 H LEU 37 H LEU 37 -3.071 0.269 -3.238 273 HA LEU 37 HA LEU 37 -1.930 -1.264 -5.410 274 HB2 LEU 37 1HB LEU 37 -2.098 0.688 -7.029 275 HB3 LEU 37 2HB LEU 37 -3.587 -0.177 -6.714 276 HG LEU 37 HG LEU 37 -4.181 1.718 -5.073 277 HD11 LEU 37 1HD1 LEU 37 -1.986 3.200 -6.531 278 HD12 LEU 37 2HD1 LEU 37 -2.005 2.771 -4.820 279 HD13 LEU 37 3HD1 LEU 37 -3.188 3.909 -5.451 280 HD21 LEU 37 3HD2 LEU 37 -5.088 3.140 -6.852 281 HD22 LEU 37 1HD2 LEU 37 -5.296 1.431 -7.229 282 HD23 LEU 37 2HD2 LEU 37 -4.031 2.364 -8.034 283 H VAL 38 H VAL 38 0.092 -0.319 -6.148 284 HA VAL 38 HA VAL 38 1.428 1.311 -4.063 285 HB VAL 38 HB VAL 38 2.740 -0.730 -5.929 286 HG11 VAL 38 1HG1 VAL 38 4.706 -0.512 -4.411 287 HG12 VAL 38 2HG1 VAL 38 3.856 0.743 -3.503 288 HG13 VAL 38 3HG1 VAL 38 4.301 1.019 -5.188 289 HG21 VAL 38 3HG2 VAL 38 1.233 -1.905 -4.355 290 HG22 VAL 38 1HG2 VAL 38 1.995 -1.085 -2.988 291 HG23 VAL 38 2HG2 VAL 38 2.919 -2.234 -3.960 292 H ARG 39 H ARG 39 3.010 2.815 -4.871 293 HA ARG 39 HA ARG 39 3.208 3.445 -7.679 294 HB2 ARG 39 1HB ARG 39 2.340 5.829 -7.329 295 HB3 ARG 39 2HB ARG 39 1.120 4.564 -7.369 296 HG2 ARG 39 1HG ARG 39 1.134 4.607 -4.822 297 HG3 ARG 39 2HG ARG 39 2.147 6.053 -4.932 298 HD2 ARG 39 1HD ARG 39 0.379 7.218 -6.197 299 HD3 ARG 39 2HD ARG 39 -0.625 5.766 -6.154 300 HE ARG 39 HE ARG 39 -1.056 6.117 -3.884 301 HH11 ARG 39 1HH1 ARG 39 1.077 8.619 -5.131 302 HH12 ARG 39 2HH1 ARG 39 0.790 9.691 -3.796 303 HH21 ARG 39 1HH2 ARG 39 -1.442 7.554 -2.157 304 HH22 ARG 39 2HH2 ARG 39 -0.653 9.097 -2.127 305 H ASP 40 H ASP 40 4.483 5.632 -7.818 306 HA ASP 40 HA ASP 40 6.785 5.402 -5.987 307 HB2 ASP 40 1HB ASP 40 7.149 5.485 -8.525 308 HB3 ASP 40 2HB ASP 40 6.577 7.148 -8.491 309 H SER 41 H SER 41 7.441 7.165 -4.734 310 HA SER 41 HA SER 41 5.485 8.693 -3.498 311 HB2 SER 41 1HB SER 41 8.494 9.143 -3.560 312 HB3 SER 41 2HB SER 41 7.388 9.873 -2.391 313 HG SER 41 HG SER 41 7.176 7.128 -2.664 314 H GLU 42 H GLU 42 4.954 10.888 -3.474 315 HA GLU 42 HA GLU 42 5.115 12.305 -6.010 316 HB2 GLU 42 1HB GLU 42 3.619 12.934 -3.433 317 HB3 GLU 42 2HB GLU 42 3.388 13.755 -4.977 318 HG2 GLU 42 1HG GLU 42 2.492 11.722 -5.978 319 HG3 GLU 42 2HG GLU 42 2.858 10.793 -4.526 320 H SER 43 H SER 43 7.194 12.210 -3.438 321 HA SER 43 HA SER 43 8.112 14.996 -3.863 322 HB2 SER 43 1HB SER 43 7.973 13.615 -1.146 323 HB3 SER 43 2HB SER 43 8.674 15.207 -1.460 324 HG SER 43 HG SER 43 6.425 15.577 -2.429 325 H VAL 44 H VAL 44 9.212 11.988 -2.124 326 HA VAL 44 HA VAL 44 11.949 12.548 -2.994 327 HB VAL 44 HB VAL 44 12.589 10.505 -1.628 328 HG11 VAL 44 1HG1 VAL 44 12.776 12.785 -0.721 329 HG12 VAL 44 2HG1 VAL 44 12.335 11.638 0.547 330 HG13 VAL 44 3HG1 VAL 44 11.108 12.707 -0.143 331 HG21 VAL 44 3HG2 VAL 44 9.702 10.604 -0.677 332 HG22 VAL 44 1HG2 VAL 44 10.978 9.569 -0.030 333 HG23 VAL 44 2HG2 VAL 44 10.396 9.334 -1.681 334 H ALA 45 H ALA 45 12.738 11.863 -4.760 335 HA ALA 45 HA ALA 45 11.404 10.240 -6.656 336 HB1 ALA 45 3HB ALA 45 13.347 10.604 -8.103 337 HB2 ALA 45 1HB ALA 45 14.275 11.208 -6.726 338 HB3 ALA 45 2HB ALA 45 12.870 12.102 -7.303 339 H GLY 46 H GLY 46 11.468 8.124 -7.076 340 HA2 GLY 46 1HA GLY 46 12.303 5.978 -7.332 341 HA3 GLY 46 2HA GLY 46 13.774 6.445 -6.498 342 H ALA 47 H ALA 47 11.096 7.312 -4.640 343 HA ALA 47 HA ALA 47 11.270 4.870 -2.972 344 HB1 ALA 47 3HB ALA 47 11.702 7.018 -1.842 345 HB2 ALA 47 1HB ALA 47 10.247 6.235 -1.216 346 HB3 ALA 47 2HB ALA 47 10.107 7.599 -2.330 347 H PHE 48 H PHE 48 9.061 4.414 -1.840 348 HA PHE 48 HA PHE 48 6.937 4.390 -3.924 349 HB2 PHE 48 1HB PHE 48 7.583 2.253 -1.855 350 HB3 PHE 48 2HB PHE 48 6.179 2.219 -2.915 351 HD1 PHE 48 HD2 PHE 48 6.474 1.899 -5.377 352 HD2 PHE 48 HD1 PHE 48 9.786 1.625 -2.691 353 HE1 PHE 48 HE2 PHE 48 7.793 0.749 -7.106 354 HE2 PHE 48 HE1 PHE 48 11.091 0.484 -4.438 355 HZ PHE 48 HZ PHE 48 10.098 0.045 -6.644 356 H ALA 49 H ALA 49 4.775 4.400 -3.267 357 HA ALA 49 HA ALA 49 4.076 4.854 -0.452 358 HB1 ALA 49 3HB ALA 49 3.986 7.051 -1.602 359 HB2 ALA 49 1HB ALA 49 2.367 6.512 -1.151 360 HB3 ALA 49 2HB ALA 49 2.909 6.379 -2.828 361 H LEU 50 H LEU 50 2.069 3.919 0.107 362 HA LEU 50 HA LEU 50 0.907 1.952 -1.775 363 HB2 LEU 50 1HB LEU 50 2.412 0.759 -0.251 364 HB3 LEU 50 2HB LEU 50 1.717 1.569 1.139 365 HG LEU 50 HG LEU 50 -0.424 0.346 0.798 366 HD11 LEU 50 1HD1 LEU 50 0.994 -1.153 -1.423 367 HD12 LEU 50 2HD1 LEU 50 -0.344 -0.015 -1.619 368 HD13 LEU 50 3HD1 LEU 50 -0.597 -1.532 -0.758 369 HD21 LEU 50 3HD2 LEU 50 1.990 -1.490 1.021 370 HD22 LEU 50 1HD2 LEU 50 0.341 -1.865 1.542 371 HD23 LEU 50 2HD2 LEU 50 1.242 -0.582 2.340 372 H CYS 51 H CYS 51 -1.178 2.517 -2.071 373 HA CYS 51 HA CYS 51 -2.595 4.094 0.006 374 HB2 CYS 51 1HB CYS 51 -2.220 5.216 -2.245 375 HB3 CYS 51 2HB CYS 51 -3.206 3.957 -2.982 376 HG CYS 51 HG CYS 51 -5.423 4.709 -1.216 377 H VAL 52 H VAL 52 -4.288 3.066 0.984 378 HA VAL 52 HA VAL 52 -5.389 0.571 -0.185 379 HB VAL 52 HB VAL 52 -4.651 0.878 2.774 380 HG11 VAL 52 1HG1 VAL 52 -6.506 -0.688 2.392 381 HG12 VAL 52 2HG1 VAL 52 -5.066 -1.574 2.898 382 HG13 VAL 52 3HG1 VAL 52 -5.552 -1.572 1.200 383 HG21 VAL 52 3HG2 VAL 52 -2.771 -0.691 2.397 384 HG22 VAL 52 1HG2 VAL 52 -2.556 0.793 1.468 385 HG23 VAL 52 2HG2 VAL 52 -3.098 -0.682 0.662 386 H LEU 53 H LEU 53 -7.586 0.738 -0.296 387 HA LEU 53 HA LEU 53 -9.086 2.414 1.625 388 HB2 LEU 53 1HB LEU 53 -9.460 3.245 -0.609 389 HB3 LEU 53 2HB LEU 53 -9.664 1.635 -1.255 390 HG LEU 53 HG LEU 53 -11.842 1.396 -0.166 391 HD11 LEU 53 1HD1 LEU 53 -11.464 2.690 1.896 392 HD12 LEU 53 2HD1 LEU 53 -12.950 3.164 1.081 393 HD13 LEU 53 3HD1 LEU 53 -11.524 4.188 0.965 394 HD21 LEU 53 3HD2 LEU 53 -11.652 4.014 -1.677 395 HD22 LEU 53 1HD2 LEU 53 -13.124 3.068 -1.420 396 HD23 LEU 53 2HD2 LEU 53 -11.807 2.402 -2.386 397 H TYR 54 H TYR 54 -9.842 0.997 3.244 398 HA TYR 54 HA TYR 54 -11.832 -0.938 2.295 399 HB2 TYR 54 1HB TYR 54 -9.870 -2.266 2.921 400 HB3 TYR 54 2HB TYR 54 -9.707 -1.398 4.438 401 HD1 TYR 54 HD1 TYR 54 -11.836 -3.826 2.591 402 HD2 TYR 54 HD2 TYR 54 -10.972 -2.078 6.387 403 HE1 TYR 54 HE1 TYR 54 -13.243 -5.504 3.685 404 HE2 TYR 54 HE2 TYR 54 -12.382 -3.763 7.486 405 HH TYR 54 HH TYR 54 -13.502 -6.556 5.849 406 H GLN 55 H GLN 55 -13.596 -1.097 3.655 407 HA GLN 55 HA GLN 55 -15.325 -0.257 4.892 408 HB2 GLN 55 1HB GLN 55 -13.799 -1.475 6.518 409 HB3 GLN 55 2HB GLN 55 -13.107 0.079 6.956 410 HG2 GLN 55 1HG GLN 55 -15.319 0.797 7.813 411 HG3 GLN 55 2HG GLN 55 -15.982 -0.782 7.396 412 HE21 GLN 55 2HE2 GLN 55 -13.613 -2.277 8.270 413 HE22 GLN 55 1HE2 GLN 55 -13.605 -2.206 9.993 414 H LYS 56 H LYS 56 -14.370 1.763 3.175 415 HA LYS 56 HA LYS 56 -14.124 3.945 2.721 416 HB2 LYS 56 1HB LYS 56 -15.871 4.301 5.188 417 HB3 LYS 56 2HB LYS 56 -15.629 5.506 3.918 418 HG2 LYS 56 1HG LYS 56 -16.703 4.010 2.280 419 HG3 LYS 56 2HG LYS 56 -16.911 2.775 3.529 420 HD2 LYS 56 1HD LYS 56 -18.341 4.412 4.812 421 HD3 LYS 56 2HD LYS 56 -18.208 5.527 3.447 422 HE2 LYS 56 1HE LYS 56 -19.470 2.761 3.386 423 HE3 LYS 56 2HE LYS 56 -20.322 4.306 3.347 424 HZ1 LYS 56 3HZ LYS 56 -19.280 4.801 1.238 425 HZ2 LYS 56 1HZ LYS 56 -20.121 3.340 1.148 426 HZ3 LYS 56 2HZ LYS 56 -18.436 3.336 1.266 427 H HIS 57 H HIS 57 -12.002 2.853 4.208 428 HA HIS 57 HA HIS 57 -10.887 5.294 5.488 429 HB2 HIS 57 1HB HIS 57 -10.429 2.385 6.297 430 HB3 HIS 57 2HB HIS 57 -9.390 3.698 6.827 431 HD1 HIS 57 HD1 HIS 57 -9.885 3.445 9.284 432 HD2 HIS 57 HD2 HIS 57 -13.331 3.927 7.030 433 HE1 HIS 57 HE1 HIS 57 -11.729 3.801 10.946 434 HE2 HIS 57 HE2 HIS 57 -13.767 4.237 9.548 435 H VAL 58 H VAL 58 -9.721 6.059 3.817 436 HA VAL 58 HA VAL 58 -7.853 4.328 2.331 437 HB VAL 58 HB VAL 58 -8.357 7.300 1.806 438 HG11 VAL 58 1HG1 VAL 58 -6.269 6.399 0.858 439 HG12 VAL 58 2HG1 VAL 58 -7.407 6.776 -0.435 440 HG13 VAL 58 3HG1 VAL 58 -7.156 5.099 0.059 441 HG21 VAL 58 3HG2 VAL 58 -9.920 6.667 0.020 442 HG22 VAL 58 1HG2 VAL 58 -10.504 6.112 1.588 443 HG23 VAL 58 2HG2 VAL 58 -9.769 4.966 0.465 444 H HIS 59 H HIS 59 -6.003 4.068 3.591 445 HA HIS 59 HA HIS 59 -4.661 6.534 4.560 446 HB2 HIS 59 1HB HIS 59 -5.168 4.566 6.198 447 HB3 HIS 59 2HB HIS 59 -3.924 3.675 5.342 448 HD1 HIS 59 HD1 HIS 59 -1.449 4.714 5.500 449 HD2 HIS 59 HD2 HIS 59 -4.246 6.315 8.122 450 HE1 HIS 59 HE1 HIS 59 -0.112 5.892 7.264 451 HE2 HIS 59 HE2 HIS 59 -1.829 6.977 8.755 452 H THR 60 H THR 60 -2.628 6.993 3.756 453 HA THR 60 HA THR 60 -1.531 5.236 1.638 454 HB THR 60 HB THR 60 -1.040 8.223 2.109 455 HG1 THR 60 HG1 THR 60 -3.058 7.074 0.903 456 HG21 THR 60 3HG2 THR 60 -0.019 6.415 -0.123 457 HG22 THR 60 1HG2 THR 60 0.970 7.132 1.160 458 HG23 THR 60 2HG2 THR 60 0.190 8.165 -0.041 459 H TYR 61 H TYR 61 0.490 4.403 1.982 460 HA TYR 61 HA TYR 61 1.997 5.158 4.397 461 HB2 TYR 61 1HB TYR 61 1.783 2.430 3.015 462 HB3 TYR 61 2HB TYR 61 2.895 2.796 4.334 463 HD1 TYR 61 HD1 TYR 61 -0.649 2.141 3.462 464 HD2 TYR 61 HD2 TYR 61 2.064 3.083 6.637 465 HE1 TYR 61 HE1 TYR 61 -2.380 1.579 5.118 466 HE2 TYR 61 HE2 TYR 61 0.338 2.506 8.281 467 HH TYR 61 HH TYR 61 -2.418 0.827 7.570 468 H ARG 62 H ARG 62 3.322 6.659 3.371 469 HA ARG 62 HA ARG 62 4.836 6.187 1.021 470 HB2 ARG 62 1HB ARG 62 5.339 7.973 3.437 471 HB3 ARG 62 2HB ARG 62 6.413 7.943 2.037 472 HG2 ARG 62 1HG ARG 62 4.553 8.664 0.580 473 HG3 ARG 62 2HG ARG 62 3.460 8.679 1.967 474 HD2 ARG 62 1HD ARG 62 5.931 10.424 1.675 475 HD3 ARG 62 2HD ARG 62 4.281 10.940 1.308 476 HE ARG 62 HE ARG 62 4.239 10.024 3.926 477 HH11 ARG 62 1HH1 ARG 62 5.956 12.565 2.206 478 HH12 ARG 62 2HH1 ARG 62 5.991 13.634 3.568 479 HH21 ARG 62 1HH2 ARG 62 4.298 11.449 5.701 480 HH22 ARG 62 2HH2 ARG 62 5.066 12.996 5.538 481 H ILE 63 H ILE 63 7.609 5.812 1.443 482 HA ILE 63 HA ILE 63 7.828 3.491 2.936 483 HB ILE 63 HB ILE 63 7.440 3.078 -0.085 484 HG12 ILE 63 1HG1 ILE 63 5.959 1.700 2.219 485 HG13 ILE 63 2HG1 ILE 63 5.298 3.004 1.245 486 HG21 ILE 63 1HG2 ILE 63 8.490 1.099 1.976 487 HG22 ILE 63 2HG2 ILE 63 9.430 1.881 0.703 488 HG23 ILE 63 3HG2 ILE 63 8.159 0.741 0.277 489 HD11 ILE 63 3HD1 ILE 63 5.404 1.569 -0.739 490 HD12 ILE 63 1HD1 ILE 63 4.419 0.869 0.546 491 HD13 ILE 63 2HD1 ILE 63 6.047 0.258 0.255 492 H LEU 64 H LEU 64 9.940 4.007 3.452 493 HA LEU 64 HA LEU 64 11.282 5.895 1.613 494 HB2 LEU 64 1HB LEU 64 11.210 5.766 4.645 495 HB3 LEU 64 2HB LEU 64 12.458 6.653 3.794 496 HG LEU 64 HG LEU 64 10.669 8.089 2.755 497 HD11 LEU 64 1HD1 LEU 64 8.425 8.145 3.753 498 HD12 LEU 64 2HD1 LEU 64 8.803 6.698 4.692 499 HD13 LEU 64 3HD1 LEU 64 8.737 6.618 2.929 500 HD21 LEU 64 3HD2 LEU 64 10.272 9.450 4.766 501 HD22 LEU 64 1HD2 LEU 64 11.938 8.875 4.690 502 HD23 LEU 64 2HD2 LEU 64 10.788 8.101 5.784 503 HA PRO 65 HA PRO 65 14.752 2.957 1.901 504 HB2 PRO 65 1HB PRO 65 15.683 3.959 -0.649 505 HB3 PRO 65 2HB PRO 65 14.999 2.371 -0.308 506 HG2 PRO 65 1HG PRO 65 13.785 4.336 -1.878 507 HG3 PRO 65 2HG PRO 65 12.948 2.951 -1.149 508 HD2 PRO 65 1HD PRO 65 13.090 5.798 -0.210 509 HD3 PRO 65 2HD PRO 65 11.743 4.645 -0.123 510 H ASP 66 H ASP 66 16.022 4.005 3.461 511 HA ASP 66 HA ASP 66 16.999 6.714 3.012 512 HB2 ASP 66 1HB ASP 66 18.084 6.437 5.239 513 HB3 ASP 66 2HB ASP 66 16.360 6.087 5.311 514 H GLY 67 H GLY 67 19.058 7.178 2.372 515 HA2 GLY 67 1HA GLY 67 20.275 5.747 0.469 516 HA3 GLY 67 2HA GLY 67 21.092 6.971 1.404 517 H GLU 68 H GLU 68 20.338 3.471 1.399 518 HA GLU 68 HA GLU 68 23.097 2.788 1.728 519 HB2 GLU 68 1HB GLU 68 21.041 1.881 3.796 520 HB3 GLU 68 2HB GLU 68 22.530 0.990 3.488 521 HG2 GLU 68 1HG GLU 68 23.770 3.150 4.052 522 HG3 GLU 68 2HG GLU 68 22.226 3.785 4.616 523 H ASP 69 H ASP 69 20.166 0.738 2.228 524 HA ASP 69 HA ASP 69 19.887 0.034 -0.572 525 HB2 ASP 69 1HB ASP 69 22.038 -1.164 0.128 526 HB3 ASP 69 2HB ASP 69 21.079 -2.131 1.243 527 H PHE 70 H PHE 70 18.348 0.410 2.272 528 HA PHE 70 HA PHE 70 16.526 -1.937 2.010 529 HB2 PHE 70 1HB PHE 70 17.329 -0.410 4.537 530 HB3 PHE 70 2HB PHE 70 16.099 -1.669 4.484 531 HD1 PHE 70 HD2 PHE 70 19.750 -1.022 4.048 532 HD2 PHE 70 HD1 PHE 70 16.706 -3.989 4.532 533 HE1 PHE 70 HE2 PHE 70 21.473 -2.733 4.450 534 HE2 PHE 70 HE1 PHE 70 18.435 -5.685 4.933 535 HZ PHE 70 HZ PHE 70 20.814 -5.065 4.901 536 H LEU 71 H LEU 71 14.335 -1.578 1.979 537 HA LEU 71 HA LEU 71 13.349 1.230 1.933 538 HB2 LEU 71 1HB LEU 71 12.203 -1.263 0.597 539 HB3 LEU 71 2HB LEU 71 11.439 0.315 0.586 540 HG LEU 71 HG LEU 71 13.453 1.176 -0.701 541 HD11 LEU 71 1HD1 LEU 71 15.102 -0.545 -0.179 542 HD12 LEU 71 2HD1 LEU 71 14.854 -0.425 -1.919 543 HD13 LEU 71 3HD1 LEU 71 14.125 -1.756 -1.013 544 HD21 LEU 71 3HD2 LEU 71 11.323 0.689 -1.795 545 HD22 LEU 71 1HD2 LEU 71 11.808 -0.997 -2.013 546 HD23 LEU 71 2HD2 LEU 71 12.678 0.292 -2.851 547 H ALA 72 H ALA 72 12.283 1.730 3.786 548 HA ALA 72 HA ALA 72 11.148 -0.406 5.464 549 HB1 ALA 72 3HB ALA 72 11.751 2.498 6.152 550 HB2 ALA 72 1HB ALA 72 12.772 1.107 6.525 551 HB3 ALA 72 2HB ALA 72 11.187 1.263 7.284 552 H VAL 73 H VAL 73 9.060 -0.539 6.018 553 HA VAL 73 HA VAL 73 7.103 1.552 5.191 554 HB VAL 73 HB VAL 73 6.519 -1.308 6.101 555 HG11 VAL 73 1HG1 VAL 73 4.609 0.241 6.408 556 HG12 VAL 73 2HG1 VAL 73 4.264 -0.944 5.147 557 HG13 VAL 73 3HG1 VAL 73 4.703 0.707 4.706 558 HG21 VAL 73 3HG2 VAL 73 7.844 -1.362 4.028 559 HG22 VAL 73 1HG2 VAL 73 6.698 -0.263 3.250 560 HG23 VAL 73 2HG2 VAL 73 6.187 -1.883 3.728 561 H GLN 74 H GLN 74 5.688 2.409 6.841 562 HA GLN 74 HA GLN 74 6.823 2.107 9.561 563 HB2 GLN 74 1HB GLN 74 5.947 4.701 8.223 564 HB3 GLN 74 2HB GLN 74 6.364 4.546 9.931 565 HG2 GLN 74 1HG GLN 74 8.202 4.141 7.555 566 HG3 GLN 74 2HG GLN 74 8.256 5.455 8.727 567 HE21 GLN 74 2HE2 GLN 74 10.254 3.416 7.919 568 HE22 GLN 74 1HE2 GLN 74 10.760 2.659 9.386 569 H THR 75 H THR 75 5.434 1.724 11.121 570 HA THR 75 HA THR 75 2.623 2.312 11.003 571 HB THR 75 HB THR 75 2.476 0.367 9.612 572 HG1 THR 75 HG1 THR 75 1.625 -1.181 11.505 573 HG21 THR 75 3HG2 THR 75 4.673 -0.669 10.039 574 HG22 THR 75 1HG2 THR 75 3.382 -1.859 10.221 575 HG23 THR 75 2HG2 THR 75 4.148 -1.160 11.650 576 H SER 76 H SER 76 5.285 0.563 12.578 577 HA SER 76 HA SER 76 5.800 -0.027 14.652 578 HB2 SER 76 1HB SER 76 4.289 2.522 15.363 579 HB3 SER 76 2HB SER 76 5.321 1.625 16.486 580 HG SER 76 HG SER 76 6.014 3.237 14.346 581 H GLN 77 H GLN 77 3.020 1.124 16.412 582 HA GLN 77 HA GLN 77 1.192 0.200 17.341 583 HB2 GLN 77 1HB GLN 77 0.498 -0.482 15.086 584 HB3 GLN 77 2HB GLN 77 1.484 -1.932 15.191 585 HG2 GLN 77 1HG GLN 77 0.028 -2.690 17.103 586 HG3 GLN 77 2HG GLN 77 -1.038 -1.328 16.760 587 HE21 GLN 77 2HE2 GLN 77 -1.615 -4.193 16.637 588 HE22 GLN 77 1HE2 GLN 77 -2.121 -4.533 15.020 589 H GLY 78 H GLY 78 3.854 -2.039 16.835 590 HA2 GLY 78 1HA GLY 78 4.436 -3.233 19.082 591 HA3 GLY 78 2HA GLY 78 2.872 -3.992 18.770 592 H VAL 79 H VAL 79 3.393 -3.654 15.856 593 HA VAL 79 HA VAL 79 4.925 -6.091 15.353 594 HB VAL 79 HB VAL 79 4.187 -5.979 13.044 595 HG11 VAL 79 1HG1 VAL 79 1.727 -6.010 13.286 596 HG12 VAL 79 2HG1 VAL 79 1.866 -5.199 14.848 597 HG13 VAL 79 3HG1 VAL 79 2.523 -6.822 14.636 598 HG21 VAL 79 3HG2 VAL 79 2.847 -4.123 12.086 599 HG22 VAL 79 1HG2 VAL 79 4.455 -3.577 12.568 600 HG23 VAL 79 2HG2 VAL 79 3.060 -3.200 13.576 601 HA PRO 80 HA PRO 80 8.797 -3.802 14.625 602 HB2 PRO 80 1HB PRO 80 9.505 -6.157 12.895 603 HB3 PRO 80 2HB PRO 80 10.385 -5.461 14.262 604 HG2 PRO 80 1HG PRO 80 9.076 -7.778 14.530 605 HG3 PRO 80 2HG PRO 80 9.084 -6.582 15.847 606 HD2 PRO 80 1HD PRO 80 6.905 -7.174 13.832 607 HD3 PRO 80 2HD PRO 80 6.773 -6.871 15.583 608 H VAL 81 H VAL 81 9.601 -2.417 12.968 609 HA VAL 81 HA VAL 81 8.109 -2.011 10.585 610 HB VAL 81 HB VAL 81 10.791 -0.937 11.586 611 HG11 VAL 81 1HG1 VAL 81 10.752 0.741 9.749 612 HG12 VAL 81 2HG1 VAL 81 9.374 -0.090 9.034 613 HG13 VAL 81 3HG1 VAL 81 10.929 -0.907 9.138 614 HG21 VAL 81 3HG2 VAL 81 8.065 0.410 11.327 615 HG22 VAL 81 1HG2 VAL 81 9.538 1.181 11.922 616 HG23 VAL 81 2HG2 VAL 81 8.809 -0.143 12.831 617 H ARG 82 H ARG 82 8.489 -2.780 8.539 618 HA ARG 82 HA ARG 82 10.457 -4.982 8.321 619 HB2 ARG 82 1HB ARG 82 7.836 -4.585 6.807 620 HB3 ARG 82 2HB ARG 82 8.914 -5.974 6.671 621 HG2 ARG 82 1HG ARG 82 7.295 -5.166 9.115 622 HG3 ARG 82 2HG ARG 82 6.980 -6.537 8.043 623 HD2 ARG 82 1HD ARG 82 9.145 -7.553 8.742 624 HD3 ARG 82 2HD ARG 82 9.417 -6.196 9.847 625 HE ARG 82 HE ARG 82 6.915 -7.325 10.408 626 HH11 ARG 82 1HH1 ARG 82 10.298 -8.126 10.805 627 HH12 ARG 82 2HH1 ARG 82 10.001 -9.226 12.112 628 HH21 ARG 82 1HH2 ARG 82 6.527 -8.737 12.112 629 HH22 ARG 82 2HH2 ARG 82 7.849 -9.596 12.839 630 H ARG 83 H ARG 83 12.168 -4.500 7.090 631 HA ARG 83 HA ARG 83 11.950 -2.514 4.942 632 HB2 ARG 83 1HB ARG 83 14.428 -3.763 6.205 633 HB3 ARG 83 2HB ARG 83 14.407 -2.458 5.016 634 HG2 ARG 83 1HG ARG 83 13.246 -0.997 6.645 635 HG3 ARG 83 2HG ARG 83 13.285 -2.302 7.838 636 HD2 ARG 83 1HD ARG 83 15.679 -0.870 6.632 637 HD3 ARG 83 2HD ARG 83 15.069 -0.713 8.283 638 HE ARG 83 HE ARG 83 15.586 -3.362 8.108 639 HH11 ARG 83 1HH1 ARG 83 17.563 -0.579 7.356 640 HH12 ARG 83 2HH1 ARG 83 19.047 -1.382 7.740 641 HH21 ARG 83 1HH2 ARG 83 17.529 -4.408 8.610 642 HH22 ARG 83 2HH2 ARG 83 19.033 -3.551 8.463 643 H PHE 84 H PHE 84 11.759 -3.237 2.965 644 HA PHE 84 HA PHE 84 12.562 -6.003 2.251 645 HB2 PHE 84 1HB PHE 84 10.874 -5.933 0.462 646 HB3 PHE 84 2HB PHE 84 10.150 -5.649 2.035 647 HD1 PHE 84 HD2 PHE 84 9.155 -3.449 2.575 648 HD2 PHE 84 HD1 PHE 84 10.938 -4.159 -1.238 649 HE1 PHE 84 HE2 PHE 84 8.057 -1.444 1.669 650 HE2 PHE 84 HE1 PHE 84 9.832 -2.167 -2.128 651 HZ PHE 84 HZ PHE 84 8.390 -0.807 -0.681 652 H GLN 85 H GLN 85 13.548 -6.373 0.263 653 HA GLN 85 HA GLN 85 15.069 -4.104 -0.871 654 HB2 GLN 85 1HB GLN 85 16.335 -6.059 0.129 655 HB3 GLN 85 2HB GLN 85 15.647 -7.094 -1.116 656 HG2 GLN 85 1HG GLN 85 16.808 -5.790 -2.852 657 HG3 GLN 85 2HG GLN 85 17.453 -4.700 -1.623 658 HE21 GLN 85 2HE2 GLN 85 19.594 -5.163 -2.203 659 HE22 GLN 85 1HE2 GLN 85 20.353 -6.668 -1.823 660 H THR 86 H THR 86 12.386 -6.063 -1.506 661 HA THR 86 HA THR 86 12.212 -5.091 -4.228 662 HB THR 86 HB THR 86 13.338 -7.291 -4.559 663 HG1 THR 86 HG1 THR 86 12.199 -7.256 -6.332 664 HG21 THR 86 3HG2 THR 86 10.850 -8.512 -3.320 665 HG22 THR 86 1HG2 THR 86 12.467 -8.525 -2.613 666 HG23 THR 86 2HG2 THR 86 12.152 -9.408 -4.110 667 H LEU 87 H LEU 87 10.118 -4.924 -4.934 668 HA LEU 87 HA LEU 87 8.215 -4.239 -2.977 669 HB2 LEU 87 1HB LEU 87 8.532 -3.527 -5.565 670 HB3 LEU 87 2HB LEU 87 7.273 -4.713 -5.808 671 HG LEU 87 HG LEU 87 6.390 -2.404 -5.683 672 HD11 LEU 87 1HD1 LEU 87 5.451 -4.059 -3.337 673 HD12 LEU 87 2HD1 LEU 87 4.911 -4.215 -5.010 674 HD13 LEU 87 3HD1 LEU 87 4.573 -2.736 -4.116 675 HD21 LEU 87 3HD2 LEU 87 7.382 -2.350 -2.817 676 HD22 LEU 87 1HD2 LEU 87 6.432 -1.103 -3.629 677 HD23 LEU 87 2HD2 LEU 87 8.072 -1.445 -4.170 678 H GLY 88 H GLY 88 8.543 -7.197 -4.895 679 HA2 GLY 88 1HA GLY 88 6.180 -8.553 -4.387 680 HA3 GLY 88 2HA GLY 88 7.751 -9.322 -4.545 681 H GLU 89 H GLU 89 8.952 -8.140 -2.193 682 HA GLU 89 HA GLU 89 8.069 -9.890 -0.119 683 HB2 GLU 89 1HB GLU 89 9.981 -7.522 -0.023 684 HB3 GLU 89 2HB GLU 89 9.682 -8.585 1.350 685 HG2 GLU 89 1HG GLU 89 10.546 -10.497 0.056 686 HG3 GLU 89 2HG GLU 89 10.854 -9.421 -1.311 687 H LEU 90 H LEU 90 7.611 -6.392 -0.729 688 HA LEU 90 HA LEU 90 6.386 -5.590 1.644 689 HB2 LEU 90 1HB LEU 90 6.965 -3.944 -0.043 690 HB3 LEU 90 2HB LEU 90 5.904 -4.693 -1.224 691 HG LEU 90 HG LEU 90 3.914 -3.990 0.174 692 HD11 LEU 90 1HD1 LEU 90 5.948 -2.429 1.788 693 HD12 LEU 90 2HD1 LEU 90 4.986 -3.796 2.353 694 HD13 LEU 90 3HD1 LEU 90 4.190 -2.291 1.913 695 HD21 LEU 90 3HD2 LEU 90 4.586 -2.645 -1.756 696 HD22 LEU 90 1HD2 LEU 90 5.702 -1.719 -0.744 697 HD23 LEU 90 2HD2 LEU 90 3.963 -1.626 -0.463 698 H ILE 91 H ILE 91 4.815 -6.745 -1.319 699 HA ILE 91 HA ILE 91 2.175 -6.837 -0.294 700 HB ILE 91 HB ILE 91 3.292 -8.359 -2.691 701 HG12 ILE 91 1HG1 ILE 91 3.851 -5.967 -2.918 702 HG13 ILE 91 2HG1 ILE 91 2.585 -6.389 -4.062 703 HG21 ILE 91 1HG2 ILE 91 0.967 -8.255 -3.571 704 HG22 ILE 91 2HG2 ILE 91 0.442 -7.500 -2.063 705 HG23 ILE 91 3HG2 ILE 91 1.064 -9.150 -2.053 706 HD11 ILE 91 3HD1 ILE 91 2.182 -4.231 -3.082 707 HD12 ILE 91 1HD1 ILE 91 2.209 -4.910 -1.457 708 HD13 ILE 91 2HD1 ILE 91 0.913 -5.344 -2.580 709 H GLY 92 H GLY 92 4.763 -9.232 -0.540 710 HA2 GLY 92 1HA GLY 92 3.431 -11.599 0.132 711 HA3 GLY 92 2HA GLY 92 5.120 -11.259 0.468 712 H LEU 93 H LEU 93 5.149 -9.390 2.324 713 HA LEU 93 HA LEU 93 4.539 -10.681 4.742 714 HB2 LEU 93 1HB LEU 93 5.253 -7.762 4.245 715 HB3 LEU 93 2HB LEU 93 5.328 -8.575 5.800 716 HG LEU 93 HG LEU 93 7.054 -9.263 3.390 717 HD11 LEU 93 1HD1 LEU 93 7.820 -7.774 5.913 718 HD12 LEU 93 2HD1 LEU 93 7.633 -7.072 4.305 719 HD13 LEU 93 3HD1 LEU 93 8.910 -8.246 4.605 720 HD21 LEU 93 3HD2 LEU 93 6.664 -11.231 4.803 721 HD22 LEU 93 1HD2 LEU 93 7.201 -10.336 6.228 722 HD23 LEU 93 2HD2 LEU 93 8.336 -10.692 4.924 723 H TYR 94 H TYR 94 3.188 -7.730 3.287 724 HA TYR 94 HA TYR 94 1.281 -7.378 5.422 725 HB2 TYR 94 1HB TYR 94 1.936 -5.761 2.937 726 HB3 TYR 94 2HB TYR 94 0.664 -5.297 4.060 727 HD1 TYR 94 HD1 TYR 94 1.290 -4.824 6.509 728 HD2 TYR 94 HD2 TYR 94 4.238 -5.241 3.448 729 HE1 TYR 94 HE1 TYR 94 2.944 -3.714 7.951 730 HE2 TYR 94 HE2 TYR 94 5.888 -4.124 4.866 731 HH TYR 94 HH TYR 94 5.382 -3.580 8.214 732 H ALA 95 H ALA 95 1.066 -9.173 2.474 733 HA ALA 95 HA ALA 95 -1.711 -9.190 2.077 734 HB1 ALA 95 3HB ALA 95 -0.139 -10.447 0.646 735 HB2 ALA 95 1HB ALA 95 -1.422 -11.501 1.248 736 HB3 ALA 95 2HB ALA 95 0.188 -11.565 1.971 737 H GLN 96 H GLN 96 0.231 -10.401 4.635 738 HA GLN 96 HA GLN 96 -1.884 -11.847 6.046 739 HB2 GLN 96 1HB GLN 96 0.970 -11.145 6.879 740 HB3 GLN 96 2HB GLN 96 -0.134 -12.160 7.811 741 HG2 GLN 96 1HG GLN 96 -0.162 -13.818 5.983 742 HG3 GLN 96 2HG GLN 96 0.915 -12.796 5.026 743 HE21 GLN 96 2HE2 GLN 96 2.444 -14.477 4.915 744 HE22 GLN 96 1HE2 GLN 96 3.432 -14.913 6.265 745 HA PRO 97 HA PRO 97 -3.190 -7.934 7.848 746 HB2 PRO 97 1HB PRO 97 -5.207 -8.792 9.421 747 HB3 PRO 97 2HB PRO 97 -5.300 -8.931 7.659 748 HG2 PRO 97 1HG PRO 97 -4.575 -11.039 9.691 749 HG3 PRO 97 2HG PRO 97 -5.669 -11.165 8.295 750 HD2 PRO 97 1HD PRO 97 -3.042 -12.025 8.264 751 HD3 PRO 97 2HD PRO 97 -3.923 -11.515 6.811 752 H ASN 98 H ASN 98 -4.015 -7.249 10.204 753 HA ASN 98 HA ASN 98 -3.383 -6.397 12.171 754 HB2 ASN 98 1HB ASN 98 -4.063 -8.713 12.886 755 HB3 ASN 98 2HB ASN 98 -2.369 -9.198 12.812 756 HD21 ASN 98 2HD2 ASN 98 -4.682 -7.114 14.458 757 HD22 ASN 98 1HD2 ASN 98 -3.775 -6.927 15.917 758 H GLN 99 H GLN 99 -1.817 -5.332 10.621 759 HA GLN 99 HA GLN 99 0.839 -5.249 11.852 760 HB2 GLN 99 1HB GLN 99 0.377 -5.711 8.871 761 HB3 GLN 99 2HB GLN 99 1.876 -5.015 9.478 762 HG2 GLN 99 1HG GLN 99 2.260 -7.067 10.835 763 HG3 GLN 99 2HG GLN 99 0.802 -7.775 10.148 764 HE21 GLN 99 2HE2 GLN 99 0.833 -8.499 8.016 765 HE22 GLN 99 1HE2 GLN 99 2.285 -8.667 7.105 766 H GLY 100 H GLY 100 -1.827 -3.537 11.286 767 HA2 GLY 100 1HA GLY 100 -1.749 -1.189 11.928 768 HA3 GLY 100 2HA GLY 100 -0.350 -0.975 10.885 769 H LEU 101 H LEU 101 -2.184 -3.004 9.327 770 HA LEU 101 HA LEU 101 -3.094 -1.081 7.341 771 HB2 LEU 101 1HB LEU 101 -3.408 -4.101 7.433 772 HB3 LEU 101 2HB LEU 101 -3.811 -3.090 6.052 773 HG LEU 101 HG LEU 101 -1.013 -3.480 7.194 774 HD11 LEU 101 1HD1 LEU 101 -0.554 -4.746 5.166 775 HD12 LEU 101 2HD1 LEU 101 -2.220 -4.545 4.623 776 HD13 LEU 101 3HD1 LEU 101 -1.866 -5.489 6.074 777 HD21 LEU 101 3HD2 LEU 101 -0.225 -2.243 5.206 778 HD22 LEU 101 1HD2 LEU 101 -1.250 -1.234 6.225 779 HD23 LEU 101 2HD2 LEU 101 -1.894 -1.920 4.731 780 H VAL 102 H VAL 102 -5.161 -0.590 6.789 781 HA VAL 102 HA VAL 102 -7.367 -0.873 8.560 782 HB VAL 102 HB VAL 102 -8.821 -0.024 6.695 783 HG11 VAL 102 1HG1 VAL 102 -7.728 2.196 6.473 784 HG12 VAL 102 2HG1 VAL 102 -6.215 1.512 7.071 785 HG13 VAL 102 3HG1 VAL 102 -7.628 1.586 8.127 786 HG21 VAL 102 3HG2 VAL 102 -7.714 -1.144 4.782 787 HG22 VAL 102 1HG2 VAL 102 -6.283 -0.138 5.008 788 HG23 VAL 102 2HG2 VAL 102 -7.813 0.598 4.521 789 H CYS 103 H CYS 103 -6.226 -2.895 5.946 790 HA CYS 103 HA CYS 103 -7.610 -5.192 7.003 791 HB2 CYS 103 1HB CYS 103 -8.751 -5.837 4.917 792 HB3 CYS 103 2HB CYS 103 -9.334 -4.262 5.441 793 HG CYS 103 HG CYS 103 -7.530 -5.074 2.700 794 H ALA 104 H ALA 104 -6.997 -7.171 5.679 795 HA ALA 104 HA ALA 104 -4.223 -7.301 4.982 796 HB1 ALA 104 3HB ALA 104 -4.750 -9.605 4.231 797 HB2 ALA 104 1HB ALA 104 -6.477 -9.263 4.388 798 HB3 ALA 104 2HB ALA 104 -5.444 -9.280 5.819 799 H LEU 105 H LEU 105 -3.318 -7.481 2.889 800 HA LEU 105 HA LEU 105 -4.450 -5.730 0.926 801 HB2 LEU 105 1HB LEU 105 -2.097 -7.654 0.663 802 HB3 LEU 105 2HB LEU 105 -2.511 -6.404 -0.500 803 HG LEU 105 HG LEU 105 -1.494 -5.987 2.337 804 HD11 LEU 105 1HD1 LEU 105 0.244 -6.623 0.746 805 HD12 LEU 105 2HD1 LEU 105 0.447 -4.951 1.258 806 HD13 LEU 105 3HD1 LEU 105 -0.226 -5.307 -0.336 807 HD21 LEU 105 3HD2 LEU 105 -3.167 -4.262 1.883 808 HD22 LEU 105 1HD2 LEU 105 -2.365 -3.848 0.366 809 HD23 LEU 105 2HD2 LEU 105 -1.552 -3.563 1.907 810 H LEU 106 H LEU 106 -6.240 -6.321 -0.269 811 HA LEU 106 HA LEU 106 -6.745 -9.206 -0.744 812 HB2 LEU 106 1HB LEU 106 -8.269 -8.247 0.912 813 HB3 LEU 106 2HB LEU 106 -8.661 -6.917 -0.164 814 HG LEU 106 HG LEU 106 -9.780 -8.521 -1.724 815 HD11 LEU 106 1HD1 LEU 106 -8.536 -10.563 -1.178 816 HD12 LEU 106 2HD1 LEU 106 -10.273 -10.812 -1.033 817 HD13 LEU 106 3HD1 LEU 106 -9.290 -10.611 0.419 818 HD21 LEU 106 3HD2 LEU 106 -10.868 -8.594 1.107 819 HD22 LEU 106 1HD2 LEU 106 -11.786 -8.884 -0.373 820 HD23 LEU 106 2HD2 LEU 106 -11.101 -7.290 -0.062 821 H LEU 107 H LEU 107 -7.619 -5.977 -2.061 822 HA LEU 107 HA LEU 107 -8.096 -7.247 -4.704 823 HB2 LEU 107 1HB LEU 107 -10.105 -6.375 -3.322 824 HB3 LEU 107 2HB LEU 107 -9.501 -4.760 -3.645 825 HG LEU 107 HG LEU 107 -10.291 -6.703 -5.863 826 HD11 LEU 107 1HD1 LEU 107 -12.025 -4.565 -4.581 827 HD12 LEU 107 2HD1 LEU 107 -12.255 -6.312 -4.469 828 HD13 LEU 107 3HD1 LEU 107 -12.436 -5.503 -6.022 829 HD21 LEU 107 3HD2 LEU 107 -10.464 -4.683 -7.276 830 HD22 LEU 107 1HD2 LEU 107 -8.834 -4.883 -6.633 831 HD23 LEU 107 2HD2 LEU 107 -9.918 -3.686 -5.924 832 HA PRO 108 HA PRO 108 -4.840 -4.093 -5.597 833 HB2 PRO 108 1HB PRO 108 -3.477 -5.508 -7.464 834 HB3 PRO 108 2HB PRO 108 -3.278 -5.821 -5.735 835 HG2 PRO 108 1HG PRO 108 -4.868 -7.351 -7.778 836 HG3 PRO 108 2HG PRO 108 -3.877 -7.966 -6.441 837 HD2 PRO 108 1HD PRO 108 -6.654 -7.697 -6.376 838 HD3 PRO 108 2HD PRO 108 -5.619 -7.798 -4.934 839 H VAL 109 H VAL 109 -5.320 -2.420 -7.036 840 HA VAL 109 HA VAL 109 -6.832 -3.071 -9.488 841 HB VAL 109 HB VAL 109 -6.612 -0.327 -8.135 842 HG11 VAL 109 1HG1 VAL 109 -8.472 -1.349 -10.320 843 HG12 VAL 109 2HG1 VAL 109 -7.115 -0.240 -10.533 844 HG13 VAL 109 3HG1 VAL 109 -8.526 0.263 -9.602 845 HG21 VAL 109 3HG2 VAL 109 -7.796 -1.839 -6.583 846 HG22 VAL 109 1HG2 VAL 109 -8.904 -2.328 -7.868 847 HG23 VAL 109 2HG2 VAL 109 -8.921 -0.666 -7.268 Start of MODEL 20 1 H1 MET 1 1H MET 1 6.840 17.258 -18.307 2 H2 MET 1 2H MET 1 7.202 18.780 -17.676 3 H3 MET 1 3H MET 1 6.724 18.628 -19.287 4 HA MET 1 HA MET 1 5.057 17.998 -16.941 5 HB2 MET 1 1HB MET 1 4.997 20.368 -18.852 6 HB3 MET 1 2HB MET 1 3.719 20.006 -17.692 7 HG2 MET 1 1HG MET 1 5.171 21.756 -16.841 8 HG3 MET 1 2HG MET 1 5.305 20.314 -15.834 9 HE1 MET 1 3HE MET 1 7.551 21.239 -14.702 10 HE2 MET 1 1HE MET 1 7.396 22.711 -15.663 11 HE3 MET 1 2HE MET 1 8.928 21.836 -15.632 12 H GLY 2 H GLY 2 2.847 17.455 -17.490 13 HA2 GLY 2 1HA GLY 2 1.305 16.170 -18.595 14 HA3 GLY 2 2HA GLY 2 1.960 16.790 -20.106 15 H HIS 3 H HIS 3 3.451 14.855 -17.536 16 HA HIS 3 HA HIS 3 4.929 13.153 -19.239 17 HB2 HIS 3 1HB HIS 3 5.588 13.608 -16.901 18 HB3 HIS 3 2HB HIS 3 4.148 12.787 -16.309 19 HD1 HIS 3 HD1 HIS 3 4.203 10.236 -16.210 20 HD2 HIS 3 HD2 HIS 3 7.659 11.882 -17.810 21 HE1 HIS 3 HE1 HIS 3 5.837 8.333 -16.375 22 HE2 HIS 3 HE2 HIS 3 7.950 9.374 -17.244 23 H HIS 4 H HIS 4 4.581 11.075 -19.953 24 HA HIS 4 HA HIS 4 1.860 10.204 -20.295 25 HB2 HIS 4 1HB HIS 4 4.508 8.915 -21.096 26 HB3 HIS 4 2HB HIS 4 2.924 8.272 -21.538 27 HD1 HIS 4 HD1 HIS 4 1.403 10.028 -22.976 28 HD2 HIS 4 HD2 HIS 4 5.499 10.699 -22.929 29 HE1 HIS 4 HE1 HIS 4 1.853 11.551 -24.909 30 HE2 HIS 4 HE2 HIS 4 4.360 11.787 -24.974 31 H HIS 5 H HIS 5 0.930 9.569 -18.437 32 HA HIS 5 HA HIS 5 1.852 7.030 -17.253 33 HB2 HIS 5 1HB HIS 5 1.178 7.733 -14.993 34 HB3 HIS 5 2HB HIS 5 2.426 8.799 -15.610 35 HD1 HIS 5 HD1 HIS 5 -0.146 9.157 -13.463 36 HD2 HIS 5 HD2 HIS 5 0.631 11.091 -17.044 37 HE1 HIS 5 HE1 HIS 5 -1.446 11.301 -13.370 38 HE2 HIS 5 HE2 HIS 5 -1.034 12.406 -15.583 39 H HIS 6 H HIS 6 0.445 5.840 -18.395 40 HA HIS 6 HA HIS 6 -2.248 6.495 -19.004 41 HB2 HIS 6 1HB HIS 6 -0.744 4.892 -20.292 42 HB3 HIS 6 2HB HIS 6 -0.949 3.729 -18.988 43 HD1 HIS 6 HD1 HIS 6 -2.608 2.015 -19.573 44 HD2 HIS 6 HD2 HIS 6 -3.545 5.662 -21.336 45 HE1 HIS 6 HE1 HIS 6 -4.641 1.572 -20.977 46 HE2 HIS 6 HE2 HIS 6 -5.140 3.772 -22.106 47 H HIS 7 H HIS 7 -3.382 7.011 -17.141 48 HA HIS 7 HA HIS 7 -3.429 5.220 -14.816 49 HB2 HIS 7 1HB HIS 7 -4.719 7.021 -13.709 50 HB3 HIS 7 2HB HIS 7 -3.246 7.665 -14.408 51 HD1 HIS 7 HD1 HIS 7 -3.606 9.000 -16.764 52 HD2 HIS 7 HD2 HIS 7 -6.988 8.356 -14.432 53 HE1 HIS 7 HE1 HIS 7 -5.355 10.575 -17.646 54 HE2 HIS 7 HE2 HIS 7 -7.433 10.023 -16.344 55 H HIS 8 H HIS 8 -4.328 3.702 -16.604 56 HA HIS 8 HA HIS 8 -7.269 3.542 -16.417 57 HB2 HIS 8 1HB HIS 8 -6.673 4.721 -18.570 58 HB3 HIS 8 2HB HIS 8 -5.714 3.328 -19.038 59 HD1 HIS 8 HD1 HIS 8 -9.312 4.287 -18.327 60 HD2 HIS 8 HD2 HIS 8 -7.147 1.398 -20.385 61 HE1 HIS 8 HE1 HIS 8 -11.003 3.018 -19.679 62 HE2 HIS 8 HE2 HIS 8 -9.643 1.400 -21.056 63 H SER 9 H SER 9 -8.003 1.322 -17.068 64 HA SER 9 HA SER 9 -7.994 -0.923 -17.032 65 HB2 SER 9 1HB SER 9 -4.962 -0.803 -17.377 66 HB3 SER 9 2HB SER 9 -5.973 -2.234 -17.593 67 HG SER 9 HG SER 9 -6.705 -1.461 -19.466 68 H HIS 10 H HIS 10 -8.543 -1.852 -15.172 69 HA HIS 10 HA HIS 10 -7.317 -1.241 -12.640 70 HB2 HIS 10 1HB HIS 10 -9.346 -3.420 -13.320 71 HB3 HIS 10 2HB HIS 10 -8.931 -2.874 -11.702 72 HD1 HIS 10 HD1 HIS 10 -11.637 -2.631 -11.741 73 HD2 HIS 10 HD2 HIS 10 -9.480 0.189 -13.893 74 HE1 HIS 10 HE1 HIS 10 -13.244 -0.761 -12.190 75 HE2 HIS 10 HE2 HIS 10 -11.849 1.016 -13.293 76 H MET 11 H MET 11 -6.708 -3.140 -11.145 77 HA MET 11 HA MET 11 -5.412 -4.879 -10.529 78 HB2 MET 11 1HB MET 11 -6.953 -6.180 -12.051 79 HB3 MET 11 2HB MET 11 -5.813 -5.953 -13.360 80 HG2 MET 11 1HG MET 11 -4.134 -7.257 -12.064 81 HG3 MET 11 2HG MET 11 -5.361 -7.534 -10.824 82 HE1 MET 11 3HE MET 11 -5.681 -9.176 -15.158 83 HE2 MET 11 1HE MET 11 -4.321 -8.206 -14.588 84 HE3 MET 11 2HE MET 11 -5.915 -7.471 -14.783 85 H SER 12 H SER 12 -4.420 -2.466 -12.287 86 HA SER 12 HA SER 12 -2.024 -3.352 -13.580 87 HB2 SER 12 1HB SER 12 -3.266 -1.341 -14.361 88 HB3 SER 12 2HB SER 12 -2.949 -0.539 -12.824 89 HG SER 12 HG SER 12 -0.737 -1.482 -14.243 90 H TRP 13 H TRP 13 -2.405 -1.116 -10.811 91 HA TRP 13 HA TRP 13 -1.970 -1.646 -8.583 92 HB2 TRP 13 1HB TRP 13 -1.493 -4.010 -8.919 93 HB3 TRP 13 2HB TRP 13 0.043 -3.640 -9.684 94 HD1 TRP 13 HD1 TRP 13 -1.632 -3.456 -6.217 95 HE1 TRP 13 HE1 TRP 13 0.199 -3.768 -4.421 96 HE3 TRP 13 HE3 TRP 13 2.490 -3.394 -9.208 97 HZ2 TRP 13 HZ2 TRP 13 3.009 -3.976 -4.304 98 HZ3 TRP 13 HZ3 TRP 13 4.712 -3.656 -8.204 99 HH2 TRP 13 HH2 TRP 13 4.964 -3.930 -5.788 100 H TYR 14 H TYR 14 0.585 -1.076 -11.019 101 HA TYR 14 HA TYR 14 2.023 0.573 -9.029 102 HB2 TYR 14 1HB TYR 14 3.420 -1.347 -9.767 103 HB3 TYR 14 2HB TYR 14 3.220 -0.849 -11.446 104 HD1 TYR 14 HD2 TYR 14 4.621 0.294 -8.152 105 HD2 TYR 14 HD1 TYR 14 4.698 0.814 -12.398 106 HE1 TYR 14 HE2 TYR 14 6.531 1.831 -7.939 107 HE2 TYR 14 HE1 TYR 14 6.594 2.352 -12.179 108 HH TYR 14 HH TYR 14 8.428 2.647 -9.402 109 H HIS 15 H HIS 15 1.507 2.716 -9.420 110 HA HIS 15 HA HIS 15 1.242 3.600 -12.239 111 HB2 HIS 15 1HB HIS 15 -0.374 4.625 -9.855 112 HB3 HIS 15 2HB HIS 15 -0.572 5.077 -11.544 113 HD1 HIS 15 HD1 HIS 15 -1.812 3.386 -13.092 114 HD2 HIS 15 HD2 HIS 15 -1.615 2.210 -9.107 115 HE1 HIS 15 HE1 HIS 15 -3.465 1.517 -12.859 116 HE2 HIS 15 HE2 HIS 15 -3.442 0.918 -10.416 117 H ARG 16 H ARG 16 3.124 4.729 -12.525 118 HA ARG 16 HA ARG 16 4.389 6.335 -10.494 119 HB2 ARG 16 1HB ARG 16 5.691 5.217 -12.259 120 HB3 ARG 16 2HB ARG 16 4.870 6.153 -13.498 121 HG2 ARG 16 1HG ARG 16 5.968 8.168 -12.855 122 HG3 ARG 16 2HG ARG 16 6.543 7.464 -11.343 123 HD2 ARG 16 1HD ARG 16 7.455 6.719 -14.145 124 HD3 ARG 16 2HD ARG 16 8.377 7.622 -12.941 125 HE ARG 16 HE ARG 16 8.330 5.581 -11.543 126 HH11 ARG 16 1HH1 ARG 16 7.829 5.198 -15.003 127 HH12 ARG 16 2HH1 ARG 16 8.459 3.583 -15.035 128 HH21 ARG 16 1HH2 ARG 16 9.091 3.444 -11.583 129 HH22 ARG 16 2HH2 ARG 16 9.182 2.590 -13.092 130 H ASP 17 H ASP 17 4.683 8.820 -10.609 131 HA ASP 17 HA ASP 17 3.493 10.553 -10.105 132 HB2 ASP 17 1HB ASP 17 3.347 12.121 -11.978 133 HB3 ASP 17 2HB ASP 17 4.866 11.251 -11.945 134 H LEU 18 H LEU 18 1.802 8.840 -9.527 135 HA LEU 18 HA LEU 18 -0.794 10.017 -10.329 136 HB2 LEU 18 1HB LEU 18 -0.613 7.509 -10.723 137 HB3 LEU 18 2HB LEU 18 -0.334 7.302 -9.003 138 HG LEU 18 HG LEU 18 -2.608 8.267 -8.535 139 HD11 LEU 18 1HD1 LEU 18 -2.880 9.658 -10.525 140 HD12 LEU 18 2HD1 LEU 18 -4.234 8.549 -10.341 141 HD13 LEU 18 3HD1 LEU 18 -2.987 8.218 -11.547 142 HD21 LEU 18 3HD2 LEU 18 -3.921 6.310 -9.242 143 HD22 LEU 18 1HD2 LEU 18 -2.335 5.830 -8.637 144 HD23 LEU 18 2HD2 LEU 18 -2.647 5.847 -10.373 145 H SER 19 H SER 19 -1.638 11.330 -8.745 146 HA SER 19 HA SER 19 -0.215 11.845 -6.328 147 HB2 SER 19 1HB SER 19 -3.066 12.715 -6.988 148 HB3 SER 19 2HB SER 19 -1.901 13.532 -5.945 149 HG SER 19 HG SER 19 -0.695 13.400 -8.212 150 H ARG 20 H ARG 20 -0.981 11.474 -4.103 151 HA ARG 20 HA ARG 20 -2.198 9.107 -3.391 152 HB2 ARG 20 1HB ARG 20 -0.979 10.583 -1.807 153 HB3 ARG 20 2HB ARG 20 -2.295 11.750 -1.874 154 HG2 ARG 20 1HG ARG 20 -3.804 9.857 -0.971 155 HG3 ARG 20 2HG ARG 20 -2.310 8.986 -0.625 156 HD2 ARG 20 1HD ARG 20 -3.139 10.165 1.370 157 HD3 ARG 20 2HD ARG 20 -1.586 10.827 0.856 158 HE ARG 20 HE ARG 20 -2.591 12.831 0.482 159 HH11 ARG 20 1HH1 ARG 20 -5.199 10.449 0.629 160 HH12 ARG 20 2HH1 ARG 20 -6.449 11.648 0.540 161 HH21 ARG 20 1HH2 ARG 20 -4.242 14.370 0.372 162 HH22 ARG 20 2HH2 ARG 20 -5.901 13.864 0.401 163 H ALA 21 H ALA 21 -3.725 12.286 -3.508 164 HA ALA 21 HA ALA 21 -6.384 11.695 -3.002 165 HB1 ALA 21 3HB ALA 21 -5.505 13.985 -3.149 166 HB2 ALA 21 1HB ALA 21 -6.941 13.796 -4.162 167 HB3 ALA 21 2HB ALA 21 -5.335 13.821 -4.899 168 H ALA 22 H ALA 22 -4.733 11.649 -6.157 169 HA ALA 22 HA ALA 22 -7.033 10.977 -7.734 170 HB1 ALA 22 3HB ALA 22 -4.090 10.731 -8.432 171 HB2 ALA 22 1HB ALA 22 -5.095 12.160 -8.683 172 HB3 ALA 22 2HB ALA 22 -5.438 10.678 -9.575 173 H ALA 23 H ALA 23 -4.568 9.102 -6.080 174 HA ALA 23 HA ALA 23 -5.102 6.574 -7.334 175 HB1 ALA 23 3HB ALA 23 -2.916 7.094 -6.382 176 HB2 ALA 23 1HB ALA 23 -3.613 5.701 -5.554 177 HB3 ALA 23 2HB ALA 23 -3.626 7.284 -4.780 178 H GLU 24 H GLU 24 -5.787 7.859 -4.068 179 HA GLU 24 HA GLU 24 -7.552 6.085 -2.992 180 HB2 GLU 24 1HB GLU 24 -6.704 8.107 -1.845 181 HB3 GLU 24 2HB GLU 24 -7.630 9.135 -2.932 182 HG2 GLU 24 1HG GLU 24 -9.733 8.130 -1.969 183 HG3 GLU 24 2HG GLU 24 -8.725 7.279 -0.803 184 H GLU 25 H GLU 25 -8.146 8.574 -5.351 185 HA GLU 25 HA GLU 25 -10.979 8.413 -5.609 186 HB2 GLU 25 1HB GLU 25 -9.730 10.363 -6.440 187 HB3 GLU 25 2HB GLU 25 -8.834 9.348 -7.562 188 HG2 GLU 25 1HG GLU 25 -10.967 8.865 -8.766 189 HG3 GLU 25 2HG GLU 25 -11.791 9.988 -7.684 190 H LEU 26 H LEU 26 -8.270 6.986 -7.418 191 HA LEU 26 HA LEU 26 -9.652 5.514 -9.351 192 HB2 LEU 26 1HB LEU 26 -7.219 5.947 -9.450 193 HB3 LEU 26 2HB LEU 26 -6.965 4.946 -8.034 194 HG LEU 26 HG LEU 26 -7.730 2.940 -9.359 195 HD11 LEU 26 1HD1 LEU 26 -9.108 4.052 -11.037 196 HD12 LEU 26 2HD1 LEU 26 -7.866 3.065 -11.801 197 HD13 LEU 26 3HD1 LEU 26 -7.681 4.819 -11.740 198 HD21 LEU 26 3HD2 LEU 26 -5.336 3.400 -9.058 199 HD22 LEU 26 1HD2 LEU 26 -5.326 4.402 -10.511 200 HD23 LEU 26 2HD2 LEU 26 -5.643 2.668 -10.631 201 H LEU 27 H LEU 27 -8.571 4.539 -6.072 202 HA LEU 27 HA LEU 27 -9.412 1.851 -6.103 203 HB2 LEU 27 1HB LEU 27 -9.118 3.765 -3.748 204 HB3 LEU 27 2HB LEU 27 -9.286 2.021 -3.601 205 HG LEU 27 HG LEU 27 -6.934 3.499 -4.840 206 HD11 LEU 27 1HD1 LEU 27 -6.994 3.733 -2.416 207 HD12 LEU 27 2HD1 LEU 27 -5.666 2.683 -2.895 208 HD13 LEU 27 3HD1 LEU 27 -7.137 1.983 -2.216 209 HD21 LEU 27 3HD2 LEU 27 -7.321 0.506 -4.470 210 HD22 LEU 27 1HD2 LEU 27 -5.838 1.299 -5.010 211 HD23 LEU 27 2HD2 LEU 27 -7.285 1.377 -6.006 212 H ALA 28 H ALA 28 -10.975 4.809 -4.875 213 HA ALA 28 HA ALA 28 -13.270 3.650 -3.722 214 HB1 ALA 28 3HB ALA 28 -14.199 5.930 -3.685 215 HB2 ALA 28 1HB ALA 28 -12.951 6.464 -4.818 216 HB3 ALA 28 2HB ALA 28 -12.503 5.933 -3.197 217 H ARG 29 H ARG 29 -12.622 4.712 -7.001 218 HA ARG 29 HA ARG 29 -15.347 4.355 -7.938 219 HB2 ARG 29 1HB ARG 29 -12.763 5.027 -9.403 220 HB3 ARG 29 2HB ARG 29 -14.346 4.950 -10.177 221 HG2 ARG 29 1HG ARG 29 -15.152 6.805 -8.758 222 HG3 ARG 29 2HG ARG 29 -13.594 6.865 -7.932 223 HD2 ARG 29 1HD ARG 29 -12.482 7.567 -9.978 224 HD3 ARG 29 2HD ARG 29 -13.973 7.355 -10.904 225 HE ARG 29 HE ARG 29 -14.361 9.199 -8.774 226 HH11 ARG 29 1HH1 ARG 29 -12.890 8.997 -11.960 227 HH12 ARG 29 2HH1 ARG 29 -13.043 10.696 -12.266 228 HH21 ARG 29 1HH2 ARG 29 -14.564 11.408 -9.185 229 HH22 ARG 29 2HH2 ARG 29 -14.017 12.061 -10.697 230 H ALA 30 H ALA 30 -12.343 2.475 -7.897 231 HA ALA 30 HA ALA 30 -13.312 0.596 -9.931 232 HB1 ALA 30 3HB ALA 30 -11.087 -0.398 -9.805 233 HB2 ALA 30 1HB ALA 30 -10.693 0.612 -8.413 234 HB3 ALA 30 2HB ALA 30 -10.975 1.352 -9.988 235 H GLY 31 H GLY 31 -11.892 0.082 -6.586 236 HA2 GLY 31 1HA GLY 31 -13.340 -2.492 -6.479 237 HA3 GLY 31 2HA GLY 31 -11.831 -2.113 -5.683 238 H ARG 32 H ARG 32 -12.358 0.251 -4.517 239 HA ARG 32 HA ARG 32 -12.925 1.142 -2.548 240 HB2 ARG 32 1HB ARG 32 -14.820 1.620 -4.129 241 HB3 ARG 32 2HB ARG 32 -15.704 0.281 -3.415 242 HG2 ARG 32 1HG ARG 32 -15.957 1.444 -1.331 243 HG3 ARG 32 2HG ARG 32 -14.790 2.681 -1.798 244 HD2 ARG 32 1HD ARG 32 -17.184 3.436 -1.905 245 HD3 ARG 32 2HD ARG 32 -16.318 3.602 -3.435 246 HE ARG 32 HE ARG 32 -17.719 1.110 -3.262 247 HH11 ARG 32 1HH1 ARG 32 -18.244 4.519 -3.909 248 HH12 ARG 32 2HH1 ARG 32 -19.651 4.240 -4.883 249 HH21 ARG 32 1HH2 ARG 32 -19.558 0.755 -4.565 250 HH22 ARG 32 2HH2 ARG 32 -20.371 2.107 -5.292 251 H ASP 33 H ASP 33 -12.142 -1.724 -2.173 252 HA ASP 33 HA ASP 33 -12.920 -2.230 0.441 253 HB2 ASP 33 1HB ASP 33 -15.171 -2.747 -0.479 254 HB3 ASP 33 2HB ASP 33 -14.464 -3.948 -1.563 255 H GLY 34 H GLY 34 -10.833 -2.818 0.809 256 HA2 GLY 34 1HA GLY 34 -9.010 -4.219 1.009 257 HA3 GLY 34 2HA GLY 34 -9.835 -5.400 0.001 258 H SER 35 H SER 35 -9.531 -2.172 -1.182 259 HA SER 35 HA SER 35 -8.159 -3.179 -3.542 260 HB2 SER 35 1HB SER 35 -9.335 -0.418 -2.983 261 HB3 SER 35 2HB SER 35 -8.942 -1.109 -4.562 262 HG SER 35 HG SER 35 -10.516 -2.859 -3.640 263 H PHE 36 H PHE 36 -5.974 -3.018 -3.697 264 HA PHE 36 HA PHE 36 -4.598 -0.815 -2.272 265 HB2 PHE 36 1HB PHE 36 -2.839 -2.282 -1.525 266 HB3 PHE 36 2HB PHE 36 -4.374 -2.962 -1.005 267 HD1 PHE 36 HD2 PHE 36 -5.237 -5.051 -2.069 268 HD2 PHE 36 HD1 PHE 36 -1.406 -3.461 -3.116 269 HE1 PHE 36 HE2 PHE 36 -4.602 -7.193 -3.084 270 HE2 PHE 36 HE1 PHE 36 -0.797 -5.614 -4.120 271 HZ PHE 36 HZ PHE 36 -2.395 -7.477 -4.104 272 H LEU 37 H LEU 37 -2.526 -0.260 -3.056 273 HA LEU 37 HA LEU 37 -1.499 -1.222 -5.571 274 HB2 LEU 37 1HB LEU 37 -1.804 0.741 -6.916 275 HB3 LEU 37 2HB LEU 37 -3.391 0.331 -6.292 276 HG LEU 37 HG LEU 37 -1.594 2.584 -5.302 277 HD11 LEU 37 1HD1 LEU 37 -2.595 3.127 -7.431 278 HD12 LEU 37 2HD1 LEU 37 -3.323 4.080 -6.141 279 HD13 LEU 37 3HD1 LEU 37 -4.203 2.712 -6.822 280 HD21 LEU 37 3HD2 LEU 37 -2.856 1.703 -3.417 281 HD22 LEU 37 1HD2 LEU 37 -4.366 1.862 -4.318 282 HD23 LEU 37 2HD2 LEU 37 -3.444 3.299 -3.869 283 H VAL 38 H VAL 38 0.438 0.025 -6.205 284 HA VAL 38 HA VAL 38 1.824 1.492 -4.060 285 HB VAL 38 HB VAL 38 2.942 -0.794 -5.763 286 HG11 VAL 38 1HG1 VAL 38 4.585 1.021 -5.951 287 HG12 VAL 38 2HG1 VAL 38 5.211 -0.258 -4.910 288 HG13 VAL 38 3HG1 VAL 38 4.590 1.231 -4.195 289 HG21 VAL 38 3HG2 VAL 38 1.934 -1.462 -3.632 290 HG22 VAL 38 1HG2 VAL 38 2.968 -0.315 -2.768 291 HG23 VAL 38 2HG2 VAL 38 3.684 -1.704 -3.594 292 H ARG 39 H ARG 39 2.415 3.430 -4.843 293 HA ARG 39 HA ARG 39 2.501 3.848 -7.778 294 HB2 ARG 39 1HB ARG 39 1.504 6.000 -7.495 295 HB3 ARG 39 2HB ARG 39 0.529 4.910 -6.522 296 HG2 ARG 39 1HG ARG 39 1.924 5.709 -4.509 297 HG3 ARG 39 2HG ARG 39 2.533 6.980 -5.574 298 HD2 ARG 39 1HD ARG 39 0.649 7.824 -4.249 299 HD3 ARG 39 2HD ARG 39 0.196 7.744 -5.953 300 HE ARG 39 HE ARG 39 -1.117 5.850 -5.513 301 HH11 ARG 39 1HH1 ARG 39 0.119 7.283 -2.534 302 HH12 ARG 39 2HH1 ARG 39 -0.984 6.401 -1.531 303 HH21 ARG 39 1HH2 ARG 39 -2.537 4.738 -4.194 304 HH22 ARG 39 2HH2 ARG 39 -2.492 4.974 -2.488 305 H ASP 40 H ASP 40 4.004 5.458 -8.458 306 HA ASP 40 HA ASP 40 6.326 5.847 -6.688 307 HB2 ASP 40 1HB ASP 40 6.823 5.022 -8.975 308 HB3 ASP 40 2HB ASP 40 5.997 6.415 -9.663 309 H SER 41 H SER 41 6.488 7.717 -5.599 310 HA SER 41 HA SER 41 4.576 9.774 -5.632 311 HB2 SER 41 1HB SER 41 7.429 9.808 -4.607 312 HB3 SER 41 2HB SER 41 6.208 11.008 -4.190 313 HG SER 41 HG SER 41 6.588 8.475 -3.235 314 H GLU 42 H GLU 42 4.943 12.127 -6.203 315 HA GLU 42 HA GLU 42 5.474 11.992 -9.064 316 HB2 GLU 42 1HB GLU 42 4.172 14.190 -7.431 317 HB3 GLU 42 2HB GLU 42 4.231 14.106 -9.195 318 HG2 GLU 42 1HG GLU 42 3.005 11.852 -8.951 319 HG3 GLU 42 2HG GLU 42 2.715 12.320 -7.277 320 H SER 43 H SER 43 6.923 13.456 -6.272 321 HA SER 43 HA SER 43 9.332 13.948 -7.700 322 HB2 SER 43 1HB SER 43 8.093 16.051 -8.336 323 HB3 SER 43 2HB SER 43 7.977 16.471 -6.625 324 HG SER 43 HG SER 43 9.948 17.182 -6.729 325 H VAL 44 H VAL 44 10.485 12.878 -6.241 326 HA VAL 44 HA VAL 44 10.956 13.924 -3.584 327 HB VAL 44 HB VAL 44 8.861 12.452 -3.371 328 HG11 VAL 44 1HG1 VAL 44 10.777 10.158 -3.909 329 HG12 VAL 44 2HG1 VAL 44 9.524 10.723 -5.015 330 HG13 VAL 44 3HG1 VAL 44 9.074 10.021 -3.461 331 HG21 VAL 44 3HG2 VAL 44 9.570 11.282 -1.297 332 HG22 VAL 44 1HG2 VAL 44 10.206 12.930 -1.369 333 HG23 VAL 44 2HG2 VAL 44 11.260 11.563 -1.721 334 H ALA 45 H ALA 45 12.704 12.608 -2.490 335 HA ALA 45 HA ALA 45 14.909 11.934 -4.137 336 HB1 ALA 45 3HB ALA 45 16.009 11.409 -2.017 337 HB2 ALA 45 1HB ALA 45 14.445 11.362 -1.200 338 HB3 ALA 45 2HB ALA 45 15.053 12.882 -1.866 339 H GLY 46 H GLY 46 12.483 10.066 -4.470 340 HA2 GLY 46 1HA GLY 46 12.408 7.848 -5.232 341 HA3 GLY 46 2HA GLY 46 13.894 7.499 -4.353 342 H ALA 47 H ALA 47 10.500 7.686 -4.232 343 HA ALA 47 HA ALA 47 10.282 6.171 -1.817 344 HB1 ALA 47 3HB ALA 47 10.401 8.420 -0.824 345 HB2 ALA 47 1HB ALA 47 8.803 7.712 -0.588 346 HB3 ALA 47 2HB ALA 47 9.045 8.958 -1.817 347 H PHE 48 H PHE 48 8.550 4.869 -1.927 348 HA PHE 48 HA PHE 48 6.551 5.274 -4.078 349 HB2 PHE 48 1HB PHE 48 7.432 2.669 -2.734 350 HB3 PHE 48 2HB PHE 48 6.266 2.809 -4.050 351 HD1 PHE 48 HD1 PHE 48 7.014 3.469 -6.336 352 HD2 PHE 48 HD2 PHE 48 9.833 2.783 -3.185 353 HE1 PHE 48 HE1 PHE 48 8.839 3.368 -7.977 354 HE2 PHE 48 HE2 PHE 48 11.648 2.675 -4.843 355 HZ PHE 48 HZ PHE 48 11.154 2.970 -7.241 356 H ALA 49 H ALA 49 4.345 5.035 -3.533 357 HA ALA 49 HA ALA 49 3.750 5.020 -0.642 358 HB1 ALA 49 3HB ALA 49 2.277 6.535 -2.797 359 HB2 ALA 49 1HB ALA 49 3.413 7.229 -1.641 360 HB3 ALA 49 2HB ALA 49 1.889 6.540 -1.075 361 H LEU 50 H LEU 50 2.407 3.496 0.061 362 HA LEU 50 HA LEU 50 0.945 1.750 -1.823 363 HB2 LEU 50 1HB LEU 50 2.664 0.524 -0.593 364 HB3 LEU 50 2HB LEU 50 2.196 1.279 0.917 365 HG LEU 50 HG LEU 50 0.042 -0.023 0.859 366 HD11 LEU 50 1HD1 LEU 50 -0.167 -0.471 -1.513 367 HD12 LEU 50 2HD1 LEU 50 -0.195 -1.969 -0.594 368 HD13 LEU 50 3HD1 LEU 50 1.262 -1.505 -1.477 369 HD21 LEU 50 3HD2 LEU 50 1.013 -2.160 1.578 370 HD22 LEU 50 1HD2 LEU 50 1.931 -0.799 2.220 371 HD23 LEU 50 2HD2 LEU 50 2.561 -1.725 0.852 372 H CYS 51 H CYS 51 -1.307 1.922 -1.651 373 HA CYS 51 HA CYS 51 -2.440 2.810 0.949 374 HB2 CYS 51 1HB CYS 51 -3.433 3.427 -1.872 375 HB3 CYS 51 2HB CYS 51 -4.441 3.628 -0.429 376 HG CYS 51 HG CYS 51 -3.662 6.000 0.070 377 H VAL 52 H VAL 52 -4.011 1.578 1.827 378 HA VAL 52 HA VAL 52 -5.304 -0.548 0.213 379 HB VAL 52 HB VAL 52 -4.609 -0.714 3.192 380 HG11 VAL 52 1HG1 VAL 52 -5.979 -2.799 1.434 381 HG12 VAL 52 2HG1 VAL 52 -6.740 -1.857 2.717 382 HG13 VAL 52 3HG1 VAL 52 -5.490 -3.034 3.116 383 HG21 VAL 52 3HG2 VAL 52 -2.598 -1.032 1.808 384 HG22 VAL 52 1HG2 VAL 52 -3.407 -2.294 0.877 385 HG23 VAL 52 2HG2 VAL 52 -3.055 -2.545 2.590 386 H LEU 53 H LEU 53 -7.352 0.110 -0.099 387 HA LEU 53 HA LEU 53 -8.780 1.748 1.877 388 HB2 LEU 53 1HB LEU 53 -8.870 2.732 -0.307 389 HB3 LEU 53 2HB LEU 53 -9.161 1.189 -1.085 390 HG LEU 53 HG LEU 53 -11.476 1.155 -0.284 391 HD11 LEU 53 1HD1 LEU 53 -10.982 3.828 1.042 392 HD12 LEU 53 2HD1 LEU 53 -11.254 2.295 1.867 393 HD13 LEU 53 3HD1 LEU 53 -12.537 3.006 0.893 394 HD21 LEU 53 3HD2 LEU 53 -10.770 3.782 -1.624 395 HD22 LEU 53 1HD2 LEU 53 -12.380 3.053 -1.581 396 HD23 LEU 53 2HD2 LEU 53 -11.067 2.233 -2.422 397 H TYR 54 H TYR 54 -10.553 0.968 2.890 398 HA TYR 54 HA TYR 54 -11.873 -1.526 2.167 399 HB2 TYR 54 1HB TYR 54 -10.110 -2.351 3.627 400 HB3 TYR 54 2HB TYR 54 -10.401 -1.078 4.806 401 HD1 TYR 54 HD1 TYR 54 -12.312 -3.879 3.136 402 HD2 TYR 54 HD2 TYR 54 -11.599 -1.690 6.743 403 HE1 TYR 54 HE1 TYR 54 -13.860 -5.355 4.343 404 HE2 TYR 54 HE2 TYR 54 -13.142 -3.176 7.945 405 HH TYR 54 HH TYR 54 -14.245 -6.113 6.662 406 H GLN 55 H GLN 55 -13.843 -0.576 1.933 407 HA GLN 55 HA GLN 55 -15.747 0.619 2.305 408 HB2 GLN 55 1HB GLN 55 -15.199 -0.459 5.104 409 HB3 GLN 55 2HB GLN 55 -16.754 0.186 4.583 410 HG2 GLN 55 1HG GLN 55 -15.370 -2.239 3.391 411 HG3 GLN 55 2HG GLN 55 -16.690 -2.288 4.563 412 HE21 GLN 55 2HE2 GLN 55 -16.594 -3.383 1.841 413 HE22 GLN 55 1HE2 GLN 55 -17.892 -2.641 0.978 414 H LYS 56 H LYS 56 -14.523 2.676 1.859 415 HA LYS 56 HA LYS 56 -13.974 4.844 2.190 416 HB2 LYS 56 1HB LYS 56 -15.795 4.611 4.618 417 HB3 LYS 56 2HB LYS 56 -15.262 6.128 3.894 418 HG2 LYS 56 1HG LYS 56 -16.475 5.579 1.820 419 HG3 LYS 56 2HG LYS 56 -16.980 4.033 2.514 420 HD2 LYS 56 1HD LYS 56 -17.751 6.801 3.537 421 HD3 LYS 56 2HD LYS 56 -18.798 5.694 2.643 422 HE2 LYS 56 1HE LYS 56 -18.706 4.085 4.507 423 HE3 LYS 56 2HE LYS 56 -17.602 5.143 5.386 424 HZ1 LYS 56 3HZ LYS 56 -19.369 6.820 5.434 425 HZ2 LYS 56 1HZ LYS 56 -19.815 5.387 6.215 426 HZ3 LYS 56 2HZ LYS 56 -20.423 5.735 4.675 427 H HIS 57 H HIS 57 -12.440 2.687 3.828 428 HA HIS 57 HA HIS 57 -11.000 4.545 5.691 429 HB2 HIS 57 1HB HIS 57 -11.943 2.540 6.872 430 HB3 HIS 57 2HB HIS 57 -11.057 1.478 5.795 431 HD1 HIS 57 HD1 HIS 57 -10.840 2.950 9.053 432 HD2 HIS 57 HD2 HIS 57 -8.068 1.911 6.139 433 HE1 HIS 57 HE1 HIS 57 -8.636 2.792 10.245 434 HE2 HIS 57 HE2 HIS 57 -6.964 2.411 8.421 435 H VAL 58 H VAL 58 -9.466 5.399 4.375 436 HA VAL 58 HA VAL 58 -7.806 3.593 2.710 437 HB VAL 58 HB VAL 58 -7.736 6.635 2.500 438 HG11 VAL 58 1HG1 VAL 58 -7.115 4.436 0.476 439 HG12 VAL 58 2HG1 VAL 58 -5.932 5.380 1.385 440 HG13 VAL 58 3HG1 VAL 58 -6.957 6.175 0.191 441 HG21 VAL 58 3HG2 VAL 58 -9.668 4.880 0.941 442 HG22 VAL 58 1HG2 VAL 58 -9.422 6.615 0.724 443 HG23 VAL 58 2HG2 VAL 58 -10.115 6.003 2.226 444 H HIS 59 H HIS 59 -5.909 3.073 3.705 445 HA HIS 59 HA HIS 59 -4.582 5.145 5.375 446 HB2 HIS 59 1HB HIS 59 -5.207 2.896 6.503 447 HB3 HIS 59 2HB HIS 59 -3.954 2.165 5.506 448 HD1 HIS 59 HD1 HIS 59 -1.485 3.437 5.836 449 HD2 HIS 59 HD2 HIS 59 -4.269 3.787 8.898 450 HE1 HIS 59 HE1 HIS 59 -0.181 4.179 7.842 451 HE2 HIS 59 HE2 HIS 59 -1.909 4.561 9.629 452 H THR 60 H THR 60 -2.467 5.665 4.934 453 HA THR 60 HA THR 60 -1.322 4.746 2.367 454 HB THR 60 HB THR 60 -0.197 6.998 2.296 455 HG1 THR 60 HG1 THR 60 -1.092 7.143 4.829 456 HG21 THR 60 3HG2 THR 60 -2.189 8.360 1.766 457 HG22 THR 60 1HG2 THR 60 -3.220 7.159 2.535 458 HG23 THR 60 2HG2 THR 60 -2.312 6.743 1.079 459 H TYR 61 H TYR 61 0.746 4.027 2.417 460 HA TYR 61 HA TYR 61 2.390 4.262 4.849 461 HB2 TYR 61 1HB TYR 61 2.607 1.742 3.162 462 HB3 TYR 61 2HB TYR 61 2.893 1.955 4.882 463 HD1 TYR 61 HD2 TYR 61 0.234 1.556 2.314 464 HD2 TYR 61 HD1 TYR 61 1.130 1.436 6.478 465 HE1 TYR 61 HE2 TYR 61 -1.991 0.654 2.752 466 HE2 TYR 61 HE1 TYR 61 -1.111 0.520 6.920 467 HH TYR 61 HH TYR 61 -3.092 -0.677 4.429 468 H ARG 62 H ARG 62 3.701 5.851 3.965 469 HA ARG 62 HA ARG 62 4.615 5.690 1.213 470 HB2 ARG 62 1HB ARG 62 5.829 7.808 1.692 471 HB3 ARG 62 2HB ARG 62 4.113 7.909 2.062 472 HG2 ARG 62 1HG ARG 62 4.594 7.707 4.459 473 HG3 ARG 62 2HG ARG 62 6.317 7.537 4.112 474 HD2 ARG 62 1HD ARG 62 6.252 9.818 3.050 475 HD3 ARG 62 2HD ARG 62 4.577 9.968 3.605 476 HE ARG 62 HE ARG 62 6.612 9.370 5.617 477 HH11 ARG 62 1HH1 ARG 62 4.579 11.860 4.162 478 HH12 ARG 62 2HH1 ARG 62 4.810 12.964 5.480 479 HH21 ARG 62 1HH2 ARG 62 6.903 10.836 7.298 480 HH22 ARG 62 2HH2 ARG 62 6.106 12.370 7.255 481 H ILE 63 H ILE 63 5.821 3.895 1.062 482 HA ILE 63 HA ILE 63 8.011 3.118 2.610 483 HB ILE 63 HB ILE 63 7.709 2.662 -0.398 484 HG12 ILE 63 1HG1 ILE 63 6.306 0.997 1.744 485 HG13 ILE 63 2HG1 ILE 63 5.495 2.198 0.752 486 HG21 ILE 63 1HG2 ILE 63 8.797 0.501 0.063 487 HG22 ILE 63 2HG2 ILE 63 8.882 0.905 1.778 488 HG23 ILE 63 3HG2 ILE 63 9.796 1.853 0.603 489 HD11 ILE 63 3HD1 ILE 63 5.075 -0.011 -0.092 490 HD12 ILE 63 1HD1 ILE 63 6.803 -0.332 -0.235 491 HD13 ILE 63 2HD1 ILE 63 6.042 0.891 -1.259 492 H LEU 64 H LEU 64 10.016 4.059 2.736 493 HA LEU 64 HA LEU 64 11.199 5.170 0.302 494 HB2 LEU 64 1HB LEU 64 12.318 7.024 1.530 495 HB3 LEU 64 2HB LEU 64 10.593 7.201 1.365 496 HG LEU 64 HG LEU 64 11.233 8.096 3.465 497 HD11 LEU 64 1HD1 LEU 64 9.885 5.467 3.993 498 HD12 LEU 64 2HD1 LEU 64 9.119 6.959 3.445 499 HD13 LEU 64 3HD1 LEU 64 9.871 6.891 5.040 500 HD21 LEU 64 3HD2 LEU 64 12.568 5.492 4.239 501 HD22 LEU 64 1HD2 LEU 64 12.388 6.929 5.252 502 HD23 LEU 64 2HD2 LEU 64 13.387 6.992 3.803 503 HA PRO 65 HA PRO 65 14.409 2.296 1.396 504 HB2 PRO 65 1HB PRO 65 16.174 4.081 -0.276 505 HB3 PRO 65 2HB PRO 65 15.881 2.340 -0.414 506 HG2 PRO 65 1HG PRO 65 14.763 4.003 -2.156 507 HG3 PRO 65 2HG PRO 65 13.811 2.647 -1.499 508 HD2 PRO 65 1HD PRO 65 13.781 5.564 -0.660 509 HD3 PRO 65 2HD PRO 65 12.408 4.478 -0.982 510 H ASP 66 H ASP 66 15.970 5.449 1.085 511 HA ASP 66 HA ASP 66 16.678 6.983 2.634 512 HB2 ASP 66 1HB ASP 66 15.286 6.176 4.494 513 HB3 ASP 66 2HB ASP 66 16.383 4.830 4.771 514 H GLY 67 H GLY 67 18.135 3.833 3.819 515 HA2 GLY 67 1HA GLY 67 20.771 4.681 3.003 516 HA3 GLY 67 2HA GLY 67 20.309 3.148 3.726 517 H GLU 68 H GLU 68 18.444 4.025 0.981 518 HA GLU 68 HA GLU 68 18.207 3.407 -1.135 519 HB2 GLU 68 1HB GLU 68 21.231 3.245 -1.076 520 HB3 GLU 68 2HB GLU 68 20.283 3.156 -2.558 521 HG2 GLU 68 1HG GLU 68 19.382 5.415 -2.099 522 HG3 GLU 68 2HG GLU 68 20.364 5.510 -0.636 523 H ASP 69 H ASP 69 19.833 0.907 0.806 524 HA ASP 69 HA ASP 69 19.986 -1.033 -1.322 525 HB2 ASP 69 1HB ASP 69 21.661 -0.983 0.497 526 HB3 ASP 69 2HB ASP 69 20.407 -1.246 1.698 527 H PHE 70 H PHE 70 18.042 -0.509 1.538 528 HA PHE 70 HA PHE 70 16.075 -2.579 0.784 529 HB2 PHE 70 1HB PHE 70 15.432 -2.579 3.159 530 HB3 PHE 70 2HB PHE 70 17.172 -2.819 3.046 531 HD1 PHE 70 HD1 PHE 70 18.701 -0.755 3.460 532 HD2 PHE 70 HD2 PHE 70 14.554 -0.797 4.513 533 HE1 PHE 70 HE1 PHE 70 19.060 1.148 4.971 534 HE2 PHE 70 HE2 PHE 70 14.935 1.106 6.021 535 HZ PHE 70 HZ PHE 70 17.177 2.082 6.249 536 H LEU 71 H LEU 71 13.913 -1.861 0.400 537 HA LEU 71 HA LEU 71 13.286 0.966 0.945 538 HB2 LEU 71 1HB LEU 71 11.327 0.770 -0.401 539 HB3 LEU 71 2HB LEU 71 12.658 0.098 -1.310 540 HG LEU 71 HG LEU 71 10.605 -1.650 0.127 541 HD11 LEU 71 1HD1 LEU 71 9.462 -1.945 -2.023 542 HD12 LEU 71 2HD1 LEU 71 10.529 -0.754 -2.771 543 HD13 LEU 71 3HD1 LEU 71 9.411 -0.262 -1.497 544 HD21 LEU 71 3HD2 LEU 71 11.351 -3.397 -1.439 545 HD22 LEU 71 1HD2 LEU 71 12.663 -2.828 -0.411 546 HD23 LEU 71 2HD2 LEU 71 12.567 -2.296 -2.092 547 H ALA 72 H ALA 72 12.339 1.503 2.821 548 HA ALA 72 HA ALA 72 11.266 -0.608 4.586 549 HB1 ALA 72 3HB ALA 72 13.099 0.797 5.469 550 HB2 ALA 72 1HB ALA 72 11.622 1.026 6.409 551 HB3 ALA 72 2HB ALA 72 12.119 2.244 5.231 552 H VAL 73 H VAL 73 9.163 -0.865 4.600 553 HA VAL 73 HA VAL 73 7.260 1.225 3.890 554 HB VAL 73 HB VAL 73 6.591 -1.591 4.864 555 HG11 VAL 73 1HG1 VAL 73 4.521 -1.311 3.537 556 HG12 VAL 73 2HG1 VAL 73 5.015 0.325 3.102 557 HG13 VAL 73 3HG1 VAL 73 4.666 -0.069 4.787 558 HG21 VAL 73 3HG2 VAL 73 6.651 -2.372 2.565 559 HG22 VAL 73 1HG2 VAL 73 8.234 -1.753 3.019 560 HG23 VAL 73 2HG2 VAL 73 7.172 -0.792 1.984 561 H GLN 74 H GLN 74 6.464 2.579 5.408 562 HA GLN 74 HA GLN 74 6.608 1.894 8.266 563 HB2 GLN 74 1HB GLN 74 6.182 4.537 6.795 564 HB3 GLN 74 2HB GLN 74 5.814 4.366 8.504 565 HG2 GLN 74 1HG GLN 74 7.999 5.348 8.280 566 HG3 GLN 74 2HG GLN 74 8.151 3.729 8.955 567 HE21 GLN 74 2HE2 GLN 74 7.699 4.511 5.514 568 HE22 GLN 74 1HE2 GLN 74 9.240 3.927 5.008 569 H THR 75 H THR 75 5.003 0.418 8.359 570 HA THR 75 HA THR 75 2.420 0.462 7.372 571 HB THR 75 HB THR 75 2.788 -0.641 10.168 572 HG1 THR 75 HG1 THR 75 3.986 -2.043 8.036 573 HG21 THR 75 3HG2 THR 75 1.758 -1.900 7.601 574 HG22 THR 75 1HG2 THR 75 0.738 -1.144 8.831 575 HG23 THR 75 2HG2 THR 75 1.661 -2.600 9.219 576 H SER 76 H SER 76 3.304 1.313 10.719 577 HA SER 76 HA SER 76 2.248 3.981 10.465 578 HB2 SER 76 1HB SER 76 1.114 2.104 12.598 579 HB3 SER 76 2HB SER 76 0.930 3.860 12.625 580 HG SER 76 HG SER 76 0.099 3.279 10.294 581 H GLN 77 H GLN 77 3.628 5.335 11.540 582 HA GLN 77 HA GLN 77 6.016 4.326 12.717 583 HB2 GLN 77 1HB GLN 77 4.903 7.169 12.794 584 HB3 GLN 77 2HB GLN 77 6.553 6.699 13.203 585 HG2 GLN 77 1HG GLN 77 6.883 5.921 10.864 586 HG3 GLN 77 2HG GLN 77 5.254 6.469 10.469 587 HE21 GLN 77 2HE2 GLN 77 7.769 7.328 9.313 588 HE22 GLN 77 1HE2 GLN 77 7.879 9.032 9.575 589 H GLY 78 H GLY 78 5.703 3.090 14.540 590 HA2 GLY 78 1HA GLY 78 5.298 3.978 17.066 591 HA3 GLY 78 2HA GLY 78 3.670 3.619 16.477 592 H VAL 79 H VAL 79 3.635 1.420 15.119 593 HA VAL 79 HA VAL 79 4.601 -0.777 16.649 594 HB VAL 79 HB VAL 79 2.508 -0.942 15.350 595 HG11 VAL 79 1HG1 VAL 79 2.445 -1.007 12.871 596 HG12 VAL 79 2HG1 VAL 79 4.166 -0.617 12.823 597 HG13 VAL 79 3HG1 VAL 79 3.017 0.549 13.478 598 HG21 VAL 79 3HG2 VAL 79 2.825 -3.111 14.207 599 HG22 VAL 79 1HG2 VAL 79 3.706 -3.059 15.738 600 HG23 VAL 79 2HG2 VAL 79 4.574 -2.863 14.214 601 HA PRO 80 HA PRO 80 8.854 -1.244 14.970 602 HB2 PRO 80 1HB PRO 80 8.118 -4.184 15.055 603 HB3 PRO 80 2HB PRO 80 9.585 -3.366 15.621 604 HG2 PRO 80 1HG PRO 80 7.729 -4.106 17.376 605 HG3 PRO 80 2HG PRO 80 8.547 -2.536 17.546 606 HD2 PRO 80 1HD PRO 80 5.773 -3.127 16.547 607 HD3 PRO 80 2HD PRO 80 6.352 -1.766 17.528 608 H VAL 81 H VAL 81 7.983 -0.302 12.900 609 HA VAL 81 HA VAL 81 7.316 -1.162 10.591 610 HB VAL 81 HB VAL 81 8.351 1.008 10.992 611 HG11 VAL 81 1HG1 VAL 81 11.038 -0.416 11.068 612 HG12 VAL 81 2HG1 VAL 81 10.211 0.328 12.438 613 HG13 VAL 81 3HG1 VAL 81 10.801 1.334 11.114 614 HG21 VAL 81 3HG2 VAL 81 8.175 0.347 8.650 615 HG22 VAL 81 1HG2 VAL 81 9.768 -0.404 8.711 616 HG23 VAL 81 2HG2 VAL 81 9.609 1.345 8.891 617 H ARG 82 H ARG 82 7.956 -2.344 8.812 618 HA ARG 82 HA ARG 82 10.099 -4.347 9.158 619 HB2 ARG 82 1HB ARG 82 7.421 -4.438 7.741 620 HB3 ARG 82 2HB ARG 82 8.726 -5.496 7.208 621 HG2 ARG 82 1HG ARG 82 8.874 -6.456 9.481 622 HG3 ARG 82 2HG ARG 82 7.533 -5.430 10.001 623 HD2 ARG 82 1HD ARG 82 5.990 -6.585 8.587 624 HD3 ARG 82 2HD ARG 82 7.292 -7.404 7.712 625 HE ARG 82 HE ARG 82 7.487 -8.102 10.420 626 HH11 ARG 82 1HH1 ARG 82 5.213 -8.648 7.797 627 HH12 ARG 82 2HH1 ARG 82 4.749 -10.209 8.384 628 HH21 ARG 82 1HH2 ARG 82 6.915 -10.162 11.124 629 HH22 ARG 82 2HH2 ARG 82 5.724 -11.079 10.250 630 H ARG 83 H ARG 83 11.743 -4.347 7.758 631 HA ARG 83 HA ARG 83 11.827 -2.403 5.553 632 HB2 ARG 83 1HB ARG 83 14.050 -4.016 6.898 633 HB3 ARG 83 2HB ARG 83 14.282 -2.804 5.638 634 HG2 ARG 83 1HG ARG 83 13.429 -1.049 7.167 635 HG3 ARG 83 2HG ARG 83 13.189 -2.266 8.425 636 HD2 ARG 83 1HD ARG 83 15.602 -2.718 8.472 637 HD3 ARG 83 2HD ARG 83 15.861 -1.548 7.170 638 HE ARG 83 HE ARG 83 14.547 -0.456 9.494 639 HH11 ARG 83 1HH1 ARG 83 17.687 -1.047 8.032 640 HH12 ARG 83 2HH1 ARG 83 18.497 0.119 9.025 641 HH21 ARG 83 1HH2 ARG 83 15.598 1.075 10.748 642 HH22 ARG 83 2HH2 ARG 83 17.297 1.353 10.544 643 H PHE 84 H PHE 84 12.537 -3.108 3.487 644 HA PHE 84 HA PHE 84 12.293 -5.969 2.835 645 HB2 PHE 84 1HB PHE 84 10.568 -3.767 1.596 646 HB3 PHE 84 2HB PHE 84 10.715 -5.390 0.925 647 HD1 PHE 84 HD2 PHE 84 9.757 -7.319 2.090 648 HD2 PHE 84 HD1 PHE 84 9.233 -3.374 3.619 649 HE1 PHE 84 HE2 PHE 84 7.995 -8.130 3.581 650 HE2 PHE 84 HE1 PHE 84 7.475 -4.200 5.120 651 HZ PHE 84 HZ PHE 84 6.854 -6.582 5.102 652 H GLN 85 H GLN 85 12.987 -6.382 0.588 653 HA GLN 85 HA GLN 85 14.780 -4.288 -0.507 654 HB2 GLN 85 1HB GLN 85 15.977 -6.155 0.721 655 HB3 GLN 85 2HB GLN 85 15.360 -7.279 -0.484 656 HG2 GLN 85 1HG GLN 85 16.654 -6.279 -2.225 657 HG3 GLN 85 2HG GLN 85 17.052 -4.879 -1.227 658 HE21 GLN 85 2HE2 GLN 85 18.636 -5.088 0.384 659 HE22 GLN 85 1HE2 GLN 85 19.748 -6.407 0.401 660 H THR 86 H THR 86 12.169 -6.410 -1.049 661 HA THR 86 HA THR 86 12.130 -5.773 -3.929 662 HB THR 86 HB THR 86 11.495 -8.558 -2.822 663 HG1 THR 86 HG1 THR 86 13.887 -7.443 -3.679 664 HG21 THR 86 3HG2 THR 86 10.300 -8.004 -4.932 665 HG22 THR 86 1HG2 THR 86 11.494 -9.284 -5.174 666 HG23 THR 86 2HG2 THR 86 11.844 -7.636 -5.702 667 H LEU 87 H LEU 87 10.073 -5.200 -4.632 668 HA LEU 87 HA LEU 87 7.887 -4.702 -2.963 669 HB2 LEU 87 1HB LEU 87 8.033 -5.138 -5.966 670 HB3 LEU 87 2HB LEU 87 6.527 -4.707 -5.172 671 HG LEU 87 HG LEU 87 9.044 -2.987 -5.170 672 HD11 LEU 87 1HD1 LEU 87 6.480 -2.637 -6.763 673 HD12 LEU 87 2HD1 LEU 87 8.056 -3.107 -7.408 674 HD13 LEU 87 3HD1 LEU 87 7.838 -1.505 -6.709 675 HD21 LEU 87 3HD2 LEU 87 7.590 -1.226 -4.215 676 HD22 LEU 87 1HD2 LEU 87 7.712 -2.621 -3.145 677 HD23 LEU 87 2HD2 LEU 87 6.255 -2.375 -4.113 678 H GLY 88 H GLY 88 8.680 -7.609 -4.808 679 HA2 GLY 88 1HA GLY 88 6.374 -9.139 -4.457 680 HA3 GLY 88 2HA GLY 88 7.999 -9.789 -4.619 681 H GLU 89 H GLU 89 9.032 -8.554 -2.179 682 HA GLU 89 HA GLU 89 8.220 -10.488 -0.216 683 HB2 GLU 89 1HB GLU 89 9.971 -8.011 0.101 684 HB3 GLU 89 2HB GLU 89 9.782 -9.279 1.315 685 HG2 GLU 89 1HG GLU 89 10.774 -10.899 -0.280 686 HG3 GLU 89 2HG GLU 89 11.028 -9.587 -1.432 687 H LEU 90 H LEU 90 7.727 -6.986 -0.670 688 HA LEU 90 HA LEU 90 6.257 -6.316 1.579 689 HB2 LEU 90 1HB LEU 90 6.935 -4.598 0.018 690 HB3 LEU 90 2HB LEU 90 6.048 -5.350 -1.294 691 HG LEU 90 HG LEU 90 3.889 -4.760 -0.064 692 HD11 LEU 90 1HD1 LEU 90 5.707 -3.119 1.690 693 HD12 LEU 90 2HD1 LEU 90 4.753 -4.516 2.179 694 HD13 LEU 90 3HD1 LEU 90 3.944 -3.038 1.666 695 HD21 LEU 90 3HD2 LEU 90 4.662 -3.407 -1.960 696 HD22 LEU 90 1HD2 LEU 90 5.646 -2.422 -0.872 697 HD23 LEU 90 2HD2 LEU 90 3.885 -2.399 -0.741 698 H ILE 91 H ILE 91 5.021 -7.494 -1.539 699 HA ILE 91 HA ILE 91 2.335 -7.796 -0.836 700 HB ILE 91 HB ILE 91 3.929 -9.254 -2.986 701 HG12 ILE 91 1HG1 ILE 91 3.975 -6.814 -3.298 702 HG13 ILE 91 2HG1 ILE 91 2.962 -7.535 -4.539 703 HG21 ILE 91 1HG2 ILE 91 1.763 -9.711 -4.087 704 HG22 ILE 91 2HG2 ILE 91 0.912 -9.007 -2.712 705 HG23 ILE 91 3HG2 ILE 91 1.858 -10.481 -2.503 706 HD11 ILE 91 3HD1 ILE 91 2.010 -6.092 -2.063 707 HD12 ILE 91 1HD1 ILE 91 0.965 -6.867 -3.258 708 HD13 ILE 91 2HD1 ILE 91 1.972 -5.500 -3.721 709 H GLY 92 H GLY 92 5.058 -10.043 -0.572 710 HA2 GLY 92 1HA GLY 92 3.710 -12.421 0.013 711 HA3 GLY 92 2HA GLY 92 5.346 -12.023 0.513 712 H LEU 93 H LEU 93 5.238 -10.188 2.349 713 HA LEU 93 HA LEU 93 4.205 -11.492 4.635 714 HB2 LEU 93 1HB LEU 93 5.655 -8.857 4.228 715 HB3 LEU 93 2HB LEU 93 5.032 -9.303 5.804 716 HG LEU 93 HG LEU 93 6.450 -11.382 5.744 717 HD11 LEU 93 1HD1 LEU 93 6.751 -11.666 3.343 718 HD12 LEU 93 2HD1 LEU 93 8.304 -11.574 4.165 719 HD13 LEU 93 3HD1 LEU 93 7.708 -10.179 3.264 720 HD21 LEU 93 3HD2 LEU 93 7.194 -9.391 6.969 721 HD22 LEU 93 1HD2 LEU 93 7.996 -8.781 5.520 722 HD23 LEU 93 2HD2 LEU 93 8.558 -10.267 6.286 723 H TYR 94 H TYR 94 3.258 -8.366 3.090 724 HA TYR 94 HA TYR 94 1.336 -7.719 5.090 725 HB2 TYR 94 1HB TYR 94 2.009 -6.555 2.387 726 HB3 TYR 94 2HB TYR 94 0.588 -5.995 3.248 727 HD1 TYR 94 HD2 TYR 94 4.280 -6.450 3.707 728 HD2 TYR 94 HD1 TYR 94 0.802 -4.266 4.839 729 HE1 TYR 94 HE2 TYR 94 5.645 -4.882 4.985 730 HE2 TYR 94 HE1 TYR 94 2.182 -2.713 6.129 731 HH TYR 94 HH TYR 94 5.585 -2.625 5.866 732 H ALA 95 H ALA 95 1.018 -9.719 2.227 733 HA ALA 95 HA ALA 95 -1.749 -9.720 1.898 734 HB1 ALA 95 3HB ALA 95 -0.195 -10.914 0.410 735 HB2 ALA 95 1HB ALA 95 -1.481 -11.987 0.972 736 HB3 ALA 95 2HB ALA 95 0.132 -12.092 1.683 737 H GLN 96 H GLN 96 0.080 -10.889 4.596 738 HA GLN 96 HA GLN 96 -1.962 -12.575 5.757 739 HB2 GLN 96 1HB GLN 96 0.462 -11.283 7.090 740 HB3 GLN 96 2HB GLN 96 -0.499 -12.612 7.748 741 HG2 GLN 96 1HG GLN 96 0.268 -14.090 5.966 742 HG3 GLN 96 2HG GLN 96 1.123 -12.753 5.190 743 HE21 GLN 96 2HE2 GLN 96 1.183 -15.054 7.807 744 HE22 GLN 96 1HE2 GLN 96 2.802 -14.731 8.321 745 HA PRO 97 HA PRO 97 -4.241 -8.990 7.533 746 HB2 PRO 97 1HB PRO 97 -6.211 -10.422 8.785 747 HB3 PRO 97 2HB PRO 97 -6.214 -10.135 7.037 748 HG2 PRO 97 1HG PRO 97 -5.241 -12.569 8.546 749 HG3 PRO 97 2HG PRO 97 -6.294 -12.492 7.116 750 HD2 PRO 97 1HD PRO 97 -3.656 -13.019 6.871 751 HD3 PRO 97 2HD PRO 97 -4.512 -12.042 5.659 752 H ASN 98 H ASN 98 -4.948 -8.422 9.809 753 HA ASN 98 HA ASN 98 -4.212 -7.753 11.831 754 HB2 ASN 98 1HB ASN 98 -3.944 -10.770 12.197 755 HB3 ASN 98 2HB ASN 98 -3.791 -9.618 13.518 756 HD21 ASN 98 2HD2 ASN 98 -5.541 -10.445 14.625 757 HD22 ASN 98 1HD2 ASN 98 -7.175 -10.238 14.101 758 H GLN 99 H GLN 99 -2.455 -6.972 10.328 759 HA GLN 99 HA GLN 99 0.183 -7.528 11.506 760 HB2 GLN 99 1HB GLN 99 -0.170 -8.896 9.326 761 HB3 GLN 99 2HB GLN 99 -0.117 -7.356 8.471 762 HG2 GLN 99 1HG GLN 99 2.165 -6.958 9.421 763 HG3 GLN 99 2HG GLN 99 2.097 -8.543 10.190 764 HE21 GLN 99 2HE2 GLN 99 2.104 -10.411 8.835 765 HE22 GLN 99 1HE2 GLN 99 2.720 -10.350 7.220 766 H GLY 100 H GLY 100 -2.129 -5.372 10.258 767 HA2 GLY 100 1HA GLY 100 -1.498 -2.984 10.965 768 HA3 GLY 100 2HA GLY 100 -0.239 -3.176 9.747 769 H LEU 101 H LEU 101 -2.255 -4.959 8.232 770 HA LEU 101 HA LEU 101 -3.725 -2.796 6.891 771 HB2 LEU 101 1HB LEU 101 -3.397 -5.665 5.958 772 HB3 LEU 101 2HB LEU 101 -3.998 -4.294 5.033 773 HG LEU 101 HG LEU 101 -1.139 -4.904 5.851 774 HD11 LEU 101 1HD1 LEU 101 -2.436 -4.427 3.155 775 HD12 LEU 101 2HD1 LEU 101 -1.936 -5.982 3.825 776 HD13 LEU 101 3HD1 LEU 101 -0.726 -4.764 3.436 777 HD21 LEU 101 3HD2 LEU 101 -0.426 -2.764 4.857 778 HD22 LEU 101 1HD2 LEU 101 -1.429 -2.519 6.285 779 HD23 LEU 101 2HD2 LEU 101 -2.117 -2.277 4.680 780 H VAL 102 H VAL 102 -5.537 -2.489 7.989 781 HA VAL 102 HA VAL 102 -7.311 -4.009 9.326 782 HB VAL 102 HB VAL 102 -9.132 -2.453 8.685 783 HG11 VAL 102 1HG1 VAL 102 -8.055 -0.338 9.400 784 HG12 VAL 102 2HG1 VAL 102 -6.466 -1.046 9.103 785 HG13 VAL 102 3HG1 VAL 102 -7.503 -1.710 10.369 786 HG21 VAL 102 3HG2 VAL 102 -8.763 -0.657 6.998 787 HG22 VAL 102 1HG2 VAL 102 -8.714 -2.260 6.255 788 HG23 VAL 102 2HG2 VAL 102 -7.215 -1.384 6.561 789 H CYS 103 H CYS 103 -6.886 -4.288 5.855 790 HA CYS 103 HA CYS 103 -9.123 -6.229 5.693 791 HB2 CYS 103 1HB CYS 103 -9.585 -4.087 4.474 792 HB3 CYS 103 2HB CYS 103 -8.184 -4.399 3.455 793 HG CYS 103 HG CYS 103 -9.426 -7.003 2.764 794 H ALA 104 H ALA 104 -5.785 -5.906 5.513 795 HA ALA 104 HA ALA 104 -4.027 -6.915 4.532 796 HB1 ALA 104 3HB ALA 104 -5.927 -9.215 3.962 797 HB2 ALA 104 1HB ALA 104 -5.017 -8.977 5.454 798 HB3 ALA 104 2HB ALA 104 -4.162 -9.291 3.944 799 H LEU 105 H LEU 105 -3.315 -8.075 2.331 800 HA LEU 105 HA LEU 105 -4.111 -6.324 0.189 801 HB2 LEU 105 1HB LEU 105 -2.235 -8.720 0.194 802 HB3 LEU 105 2HB LEU 105 -2.423 -7.588 -1.139 803 HG LEU 105 HG LEU 105 -1.307 -6.948 1.618 804 HD11 LEU 105 1HD1 LEU 105 0.810 -6.578 0.459 805 HD12 LEU 105 2HD1 LEU 105 0.077 -7.090 -1.064 806 HD13 LEU 105 3HD1 LEU 105 0.234 -8.234 0.273 807 HD21 LEU 105 3HD2 LEU 105 -2.537 -5.003 0.764 808 HD22 LEU 105 1HD2 LEU 105 -1.612 -5.054 -0.737 809 HD23 LEU 105 2HD2 LEU 105 -0.805 -4.697 0.791 810 H LEU 106 H LEU 106 -6.271 -6.746 -0.281 811 HA LEU 106 HA LEU 106 -7.241 -9.427 -0.834 812 HB2 LEU 106 1HB LEU 106 -8.514 -7.336 0.190 813 HB3 LEU 106 2HB LEU 106 -8.818 -6.929 -1.484 814 HG LEU 106 HG LEU 106 -9.751 -9.450 -0.043 815 HD11 LEU 106 1HD1 LEU 106 -12.009 -8.528 -0.288 816 HD12 LEU 106 2HD1 LEU 106 -11.347 -7.070 -1.033 817 HD13 LEU 106 3HD1 LEU 106 -10.966 -7.455 0.648 818 HD21 LEU 106 3HD2 LEU 106 -9.321 -10.007 -2.390 819 HD22 LEU 106 1HD2 LEU 106 -10.311 -8.644 -2.922 820 HD23 LEU 106 2HD2 LEU 106 -11.053 -9.999 -2.064 821 H LEU 107 H LEU 107 -7.099 -6.421 -2.877 822 HA LEU 107 HA LEU 107 -6.478 -8.021 -5.232 823 HB2 LEU 107 1HB LEU 107 -8.331 -7.392 -6.607 824 HB3 LEU 107 2HB LEU 107 -8.977 -8.110 -5.145 825 HG LEU 107 HG LEU 107 -8.892 -5.098 -5.640 826 HD11 LEU 107 1HD1 LEU 107 -10.292 -6.164 -7.338 827 HD12 LEU 107 2HD1 LEU 107 -11.263 -5.223 -6.212 828 HD13 LEU 107 3HD1 LEU 107 -11.228 -6.983 -6.081 829 HD21 LEU 107 3HD2 LEU 107 -9.037 -5.689 -3.260 830 HD22 LEU 107 1HD2 LEU 107 -10.451 -6.702 -3.580 831 HD23 LEU 107 2HD2 LEU 107 -10.535 -4.953 -3.819 832 HA PRO 108 HA PRO 108 -4.243 -4.163 -6.018 833 HB2 PRO 108 1HB PRO 108 -3.014 -4.861 -8.340 834 HB3 PRO 108 2HB PRO 108 -2.534 -5.552 -6.782 835 HG2 PRO 108 1HG PRO 108 -4.325 -6.733 -8.904 836 HG3 PRO 108 2HG PRO 108 -2.993 -7.503 -8.014 837 HD2 PRO 108 1HD PRO 108 -5.619 -7.832 -7.311 838 HD3 PRO 108 2HD PRO 108 -4.298 -7.869 -6.123 839 H VAL 109 H VAL 109 -4.648 -2.298 -7.168 840 HA VAL 109 HA VAL 109 -6.523 -2.367 -9.473 841 HB VAL 109 HB VAL 109 -6.535 -0.307 -7.207 842 HG11 VAL 109 1HG1 VAL 109 -8.399 -0.590 -9.591 843 HG12 VAL 109 2HG1 VAL 109 -7.219 0.702 -9.336 844 HG13 VAL 109 3HG1 VAL 109 -8.614 0.549 -8.261 845 HG21 VAL 109 3HG2 VAL 109 -8.716 -1.251 -6.525 846 HG22 VAL 109 1HG2 VAL 109 -7.434 -2.459 -6.408 847 HG23 VAL 109 2HG2 VAL 109 -8.569 -2.504 -7.759
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