REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zmy_1_A DATA FIRST_RESID 2 DATA SEQUENCE TVRKNQATLT ADEKRRFVAA VLELKRSGRY DEFVRTHNEF IMSDTDSGER DATA SEQUENCE TGHRSPSFLP WHRRFLLDFE QALQSVDSSV TLPYWDWSAD RTVRASLWAP DATA SEQUENCE DFLGGTGRST DGRVMDGPFA ASTGNWPINV RVDSRTYLRR SLGGSVAELP DATA SEQUENCE TRAEVESVLA ISAYDLPPYN SASEGFRNHL EGWRGVNLHN RVHVWVGGQM DATA SEQUENCE ATGVSPNDPV FWLHHAYVDK LWAEWQRRHP DSAYVPTGGT PDVVDLNETM DATA SEQUENCE KPWNTVRPAD LLDHTAYYTF DALEHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2 T C 0.000 174.743 174.700 0.072 0.000 1.109 2 T CA 0.000 62.141 62.100 0.068 0.000 1.349 2 T CB 0.000 68.905 68.868 0.062 0.000 0.612 3 V N 2.450 122.393 119.914 0.047 0.000 2.398 3 V HA 0.563 4.694 4.120 0.018 0.000 0.286 3 V C 0.136 176.256 176.094 0.044 0.000 1.026 3 V CA -0.862 61.468 62.300 0.051 0.000 0.868 3 V CB 1.440 33.297 31.823 0.057 0.000 0.982 3 V HN 0.334 8.524 8.190 -0.000 0.000 0.443 4 R N 4.040 124.563 120.500 0.038 0.000 2.254 4 R HA 0.534 4.885 4.340 0.018 0.000 0.318 4 R C -0.575 175.910 176.300 0.308 0.000 1.031 4 R CA -0.555 55.614 56.100 0.114 0.000 0.905 4 R CB 1.445 31.775 30.300 0.049 0.000 1.050 4 R HN 0.625 8.895 8.270 -0.000 0.000 0.456 5 K N 1.600 122.091 120.400 0.152 0.000 2.208 5 K HA 0.188 4.519 4.320 0.018 0.000 0.247 5 K C -0.227 176.114 176.600 -0.433 0.000 0.953 5 K CA -1.039 55.255 56.287 0.012 0.000 0.837 5 K CB 1.302 33.779 32.500 -0.038 0.000 1.131 5 K HN 0.347 8.597 8.250 -0.000 0.000 0.431 6 N N 2.391 120.666 118.700 -0.709 0.000 2.454 6 N HA -0.095 4.656 4.740 0.018 0.000 0.260 6 N C 0.779 176.011 175.510 -0.463 0.000 1.218 6 N CA 0.473 52.891 53.050 -1.052 0.000 0.904 6 N CB 1.171 39.320 38.487 -0.563 0.000 1.065 6 N HN 0.596 8.976 8.380 -0.000 0.000 0.462 7 Q N 4.209 123.785 119.800 -0.373 0.000 2.152 7 Q HA -0.168 4.183 4.340 0.018 0.000 0.206 7 Q C 1.541 177.531 176.000 -0.016 0.000 0.985 7 Q CA 2.370 58.114 55.803 -0.098 0.000 0.863 7 Q CB -0.602 28.062 28.738 -0.123 0.000 0.904 7 Q HN 0.592 8.862 8.270 -0.000 0.000 0.422 8 A N 0.586 123.351 122.820 -0.092 0.000 2.121 8 A HA -0.093 4.238 4.320 0.018 0.000 0.218 8 A C 2.121 179.678 177.584 -0.045 0.000 1.154 8 A CA 1.555 53.564 52.037 -0.046 0.000 0.679 8 A CB -0.811 18.158 19.000 -0.052 0.000 0.795 8 A HN 0.657 8.807 8.150 -0.000 0.000 0.458 9 T N -2.745 111.763 114.554 -0.077 0.000 3.069 9 T HA 0.436 4.797 4.350 0.018 0.000 0.252 9 T C 0.445 175.100 174.700 -0.076 0.000 1.053 9 T CA -0.370 61.690 62.100 -0.067 0.000 0.964 9 T CB -0.442 68.385 68.868 -0.068 0.000 1.005 9 T HN 0.202 8.442 8.240 -0.000 0.000 0.532 10 L N 3.443 124.607 121.223 -0.099 0.000 2.461 10 L HA 0.300 4.651 4.340 0.018 0.000 0.272 10 L C 1.275 178.069 176.870 -0.127 0.000 1.197 10 L CA -0.541 54.217 54.840 -0.137 0.000 0.836 10 L CB 0.486 42.400 42.059 -0.243 0.000 1.105 10 L HN 0.362 8.592 8.230 -0.000 0.000 0.477 11 T N -0.804 113.684 114.554 -0.111 0.000 2.828 11 T HA 0.306 4.667 4.350 0.018 0.000 0.290 11 T C 1.194 175.822 174.700 -0.121 0.000 1.019 11 T CA -0.210 61.836 62.100 -0.091 0.000 1.031 11 T CB 1.469 70.298 68.868 -0.065 0.000 1.001 11 T HN 0.653 8.893 8.240 -0.000 0.000 0.531 12 A N 1.101 123.865 122.820 -0.094 0.000 1.917 12 A HA -0.140 4.191 4.320 0.018 0.000 0.219 12 A C 2.031 179.556 177.584 -0.098 0.000 1.182 12 A CA 1.939 53.916 52.037 -0.100 0.000 0.633 12 A CB -1.100 17.861 19.000 -0.065 0.000 0.819 12 A HN 0.908 9.058 8.150 -0.000 0.000 0.448 13 D N -0.458 119.898 120.400 -0.074 0.000 2.117 13 D HA -0.116 4.535 4.640 0.018 0.000 0.197 13 D C 1.962 178.223 176.300 -0.065 0.000 0.987 13 D CA 1.450 55.414 54.000 -0.059 0.000 0.829 13 D CB -0.371 40.403 40.800 -0.042 0.000 0.961 13 D HN 0.674 9.044 8.370 -0.000 0.000 0.460 14 E N 0.535 120.684 120.200 -0.084 0.000 2.072 14 E HA -0.124 4.238 4.350 0.018 0.000 0.191 14 E C 2.038 178.570 176.600 -0.113 0.000 0.985 14 E CA 0.725 57.075 56.400 -0.082 0.000 0.801 14 E CB 0.088 29.728 29.700 -0.101 0.000 0.750 14 E HN 0.229 8.589 8.360 -0.000 0.000 0.452 15 K N 0.632 120.890 120.400 -0.238 0.000 2.032 15 K HA -0.192 4.139 4.320 0.018 0.000 0.209 15 K C 2.293 178.818 176.600 -0.124 0.000 1.048 15 K CA 1.286 57.349 56.287 -0.374 0.000 0.927 15 K CB -0.156 32.006 32.500 -0.563 0.000 0.712 15 K HN -0.017 8.233 8.250 -0.000 0.000 0.441 16 R N 1.342 121.784 120.500 -0.097 0.000 2.081 16 R HA -0.135 4.216 4.340 0.018 0.000 0.235 16 R C 2.142 178.433 176.300 -0.015 0.000 1.131 16 R CA 1.565 57.635 56.100 -0.050 0.000 0.960 16 R CB -0.014 30.255 30.300 -0.052 0.000 0.856 16 R HN 0.091 8.361 8.270 -0.000 0.000 0.436 17 R N -0.705 119.793 120.500 -0.002 0.000 2.090 17 R HA -0.110 4.241 4.340 0.018 0.000 0.228 17 R C 2.184 178.512 176.300 0.046 0.000 1.110 17 R CA 1.484 57.590 56.100 0.010 0.000 0.973 17 R CB -0.433 29.871 30.300 0.007 0.000 0.869 17 R HN 0.238 8.508 8.270 -0.000 0.000 0.440 18 F N 1.161 121.085 119.950 -0.044 0.000 2.075 18 F HA -0.224 4.310 4.527 0.012 0.000 0.297 18 F C 2.004 177.848 175.800 0.074 0.000 1.113 18 F CA 1.386 59.392 58.000 0.011 0.000 1.218 18 F CB -0.382 38.629 39.000 0.019 0.000 0.984 18 F HN -0.283 8.017 8.300 -0.000 0.000 0.472 19 V N 0.705 120.674 119.914 0.092 0.000 2.287 19 V HA -0.336 3.796 4.120 0.018 0.000 0.248 19 V C 2.766 178.815 176.094 -0.076 0.000 1.053 19 V CA 1.994 64.308 62.300 0.022 0.000 1.027 19 V CB -1.579 30.259 31.823 0.026 0.000 0.646 19 V HN 0.520 8.710 8.190 -0.000 0.000 0.447 20 A N -0.302 122.481 122.820 -0.061 0.000 1.933 20 A HA -0.077 4.254 4.320 0.018 0.000 0.218 20 A C 2.389 179.939 177.584 -0.057 0.000 1.175 20 A CA 1.985 53.991 52.037 -0.052 0.000 0.628 20 A CB -0.694 18.282 19.000 -0.039 0.000 0.814 20 A HN 0.579 8.729 8.150 -0.000 0.000 0.444 21 A N -0.577 122.182 122.820 -0.102 0.000 1.930 21 A HA 0.045 4.376 4.320 0.018 0.000 0.217 21 A C 2.208 179.720 177.584 -0.121 0.000 1.175 21 A CA 1.635 53.599 52.037 -0.122 0.000 0.627 21 A CB -0.834 18.065 19.000 -0.168 0.000 0.815 21 A HN 0.351 8.501 8.150 -0.000 0.000 0.443 22 V N 0.255 120.063 119.914 -0.177 0.000 2.295 22 V HA -0.265 3.866 4.120 0.018 0.000 0.246 22 V C 2.555 178.779 176.094 0.218 0.000 1.049 22 V CA 1.992 64.299 62.300 0.013 0.000 1.024 22 V CB -0.765 31.032 31.823 -0.044 0.000 0.648 22 V HN 0.579 8.769 8.190 -0.000 0.000 0.447 23 L N -0.092 121.241 121.223 0.183 0.000 2.131 23 L HA -0.188 4.163 4.340 0.018 0.000 0.210 23 L C 2.619 179.585 176.870 0.161 0.000 1.092 23 L CA 1.733 56.720 54.840 0.244 0.000 0.759 23 L CB -0.519 41.611 42.059 0.119 0.000 0.903 23 L HN 0.402 8.632 8.230 -0.000 0.000 0.435 24 E N 0.804 121.056 120.200 0.087 0.000 2.107 24 E HA -0.165 4.196 4.350 0.018 0.000 0.191 24 E C 2.182 178.837 176.600 0.091 0.000 0.982 24 E CA 1.125 57.564 56.400 0.065 0.000 0.809 24 E CB -0.210 29.503 29.700 0.022 0.000 0.756 24 E HN 0.375 8.735 8.360 -0.000 0.000 0.459 25 L N 0.216 121.508 121.223 0.116 0.000 2.083 25 L HA -0.174 4.177 4.340 0.018 0.000 0.209 25 L C 2.458 179.481 176.870 0.255 0.000 1.083 25 L CA 1.503 56.456 54.840 0.188 0.000 0.752 25 L CB -0.519 41.679 42.059 0.232 0.000 0.899 25 L HN 0.134 8.364 8.230 -0.000 0.000 0.433 26 K N 0.816 121.348 120.400 0.220 0.000 2.001 26 K HA -0.197 4.134 4.320 0.018 0.000 0.208 26 K C 2.231 178.872 176.600 0.068 0.000 1.048 26 K CA 1.432 57.765 56.287 0.077 0.000 0.932 26 K CB -0.311 32.121 32.500 -0.113 0.000 0.715 26 K HN -0.010 8.240 8.250 -0.000 0.000 0.437 27 R N 0.371 120.920 120.500 0.083 0.000 2.103 27 R HA -0.123 4.228 4.340 0.018 0.000 0.242 27 R C 1.888 178.224 176.300 0.060 0.000 1.142 27 R CA 2.090 58.228 56.100 0.062 0.000 0.960 27 R CB -0.469 29.869 30.300 0.063 0.000 0.858 27 R HN 0.473 8.743 8.270 -0.000 0.000 0.439 28 S N -1.665 114.080 115.700 0.076 0.000 2.562 28 S HA 0.117 4.598 4.470 0.018 0.000 0.221 28 S C 1.293 175.939 174.600 0.077 0.000 0.975 28 S CA 0.587 58.828 58.200 0.068 0.000 0.918 28 S CB 0.602 63.843 63.200 0.068 0.000 0.772 28 S HN 0.626 8.936 8.310 -0.000 0.000 0.531 29 G N 1.704 110.561 108.800 0.095 0.000 2.195 29 G HA2 -0.290 3.681 3.960 0.018 0.000 0.246 29 G HA3 -0.290 3.681 3.960 0.018 0.000 0.246 29 G C 1.005 175.991 174.900 0.142 0.000 0.984 29 G CA 0.234 45.394 45.100 0.099 0.000 0.633 29 G HN 0.525 8.815 8.290 -0.000 0.000 0.525 30 R N -1.118 119.492 120.500 0.183 0.000 2.090 30 R HA 0.108 4.459 4.340 0.018 0.000 0.228 30 R C 2.142 178.676 176.300 0.389 0.000 1.110 30 R CA 1.274 57.509 56.100 0.226 0.000 0.973 30 R CB -0.328 30.106 30.300 0.224 0.000 0.869 30 R HN 0.475 8.745 8.270 -0.000 0.000 0.440 31 Y N 2.235 122.722 120.300 0.312 0.000 2.128 31 Y HA -0.256 4.304 4.550 0.018 0.000 0.284 31 Y C 1.673 177.808 175.900 0.392 0.000 1.154 31 Y CA 1.779 60.140 58.100 0.434 0.000 1.149 31 Y CB -0.043 38.579 38.460 0.270 0.000 0.976 31 Y HN 0.002 8.282 8.280 -0.000 0.000 0.505 32 D N -0.175 120.460 120.400 0.392 0.000 2.264 32 D HA -0.132 4.519 4.640 0.018 0.000 0.208 32 D C 1.841 178.257 176.300 0.193 0.000 0.966 32 D CA 0.977 55.135 54.000 0.264 0.000 0.864 32 D CB -0.083 40.808 40.800 0.151 0.000 0.933 32 D HN 0.493 8.863 8.370 -0.000 0.000 0.499 33 E N -0.130 120.161 120.200 0.150 0.000 2.208 33 E HA -0.087 4.274 4.350 0.018 0.000 0.193 33 E C 1.995 178.632 176.600 0.062 0.000 0.988 33 E CA 0.235 56.666 56.400 0.051 0.000 0.828 33 E CB -0.358 29.311 29.700 -0.052 0.000 0.763 33 E HN 0.401 8.761 8.360 -0.000 0.000 0.478 34 F N 0.794 120.845 119.950 0.169 0.000 2.134 34 F HA -0.185 4.349 4.527 0.012 0.000 0.299 34 F C 2.486 178.490 175.800 0.341 0.000 1.097 34 F CA 0.793 58.968 58.000 0.291 0.000 1.264 34 F CB -0.631 38.442 39.000 0.122 0.000 1.001 34 F HN -0.148 8.152 8.300 -0.000 0.000 0.479 35 V N 0.138 120.252 119.914 0.333 0.000 2.332 35 V HA -0.314 3.817 4.120 0.018 0.000 0.248 35 V C 2.477 178.706 176.094 0.226 0.000 1.055 35 V CA 2.103 64.533 62.300 0.216 0.000 1.038 35 V CB -0.715 31.212 31.823 0.173 0.000 0.651 35 V HN 0.271 8.461 8.190 -0.000 0.000 0.450 36 R N -0.231 120.385 120.500 0.193 0.000 2.075 36 R HA -0.150 4.201 4.340 0.018 0.000 0.232 36 R C 2.446 178.847 176.300 0.168 0.000 1.126 36 R CA 1.993 58.178 56.100 0.141 0.000 0.963 36 R CB -0.465 29.892 30.300 0.094 0.000 0.858 36 R HN 0.540 8.809 8.270 -0.000 0.000 0.435 37 T N 0.119 114.810 114.554 0.227 0.000 2.684 37 T HA -0.205 4.157 4.350 0.018 0.000 0.267 37 T C 1.619 176.517 174.700 0.330 0.000 1.036 37 T CA 1.445 63.712 62.100 0.279 0.000 1.148 37 T CB -0.467 68.591 68.868 0.318 0.000 0.863 37 T HN 0.426 8.666 8.240 -0.000 0.000 0.436 38 H N 0.975 120.168 119.070 0.205 0.000 2.353 38 H HA -0.079 4.488 4.556 0.018 0.000 0.300 38 H C 2.455 177.871 175.328 0.147 0.000 1.090 38 H CA 1.692 57.813 56.048 0.120 0.000 1.327 38 H CB -0.168 29.624 29.762 0.051 0.000 1.383 38 H HN 0.222 8.502 8.280 -0.000 0.000 0.508 39 N N 0.793 119.586 118.700 0.154 0.000 2.120 39 N HA -0.140 4.611 4.740 0.018 0.000 0.188 39 N C 1.848 177.342 175.510 -0.026 0.000 1.024 39 N CA 1.541 54.623 53.050 0.053 0.000 0.852 39 N CB -0.116 38.414 38.487 0.072 0.000 1.003 39 N HN 0.485 8.865 8.380 -0.000 0.000 0.424 40 E N -1.161 119.036 120.200 -0.005 0.000 2.058 40 E HA -0.162 4.199 4.350 0.018 0.000 0.194 40 E C 1.682 178.130 176.600 -0.253 0.000 0.997 40 E CA 1.153 57.479 56.400 -0.123 0.000 0.801 40 E CB -0.223 29.403 29.700 -0.122 0.000 0.746 40 E HN 0.415 8.775 8.360 -0.000 0.000 0.450 41 F N 0.516 120.343 119.950 -0.204 0.000 2.186 41 F HA -0.162 4.379 4.527 0.022 0.000 0.299 41 F C 2.245 177.899 175.800 -0.243 0.000 1.090 41 F CA 0.553 58.386 58.000 -0.278 0.000 1.307 41 F CB -0.055 38.613 39.000 -0.553 0.000 1.019 41 F HN 0.044 8.344 8.300 -0.000 0.000 0.489 42 I N -0.172 120.298 120.570 -0.168 0.000 2.208 42 I HA -0.323 3.858 4.170 0.018 0.000 0.245 42 I C 2.195 178.192 176.117 -0.199 0.000 1.097 42 I CA 1.791 62.887 61.300 -0.341 0.000 1.363 42 I CB -0.765 37.015 38.000 -0.368 0.000 1.051 42 I HN 0.249 8.459 8.210 -0.000 0.000 0.413 43 M N -0.662 118.845 119.600 -0.156 0.000 2.419 43 M HA -0.084 4.407 4.480 0.018 0.000 0.264 43 M C 2.068 178.282 176.300 -0.143 0.000 1.082 43 M CA 1.047 56.269 55.300 -0.130 0.000 1.119 43 M CB -0.025 32.510 32.600 -0.108 0.000 1.398 43 M HN 0.093 8.383 8.290 -0.000 0.000 0.453 44 S N -0.881 114.711 115.700 -0.180 0.000 2.475 44 S HA 0.043 4.524 4.470 0.018 0.000 0.224 44 S C 0.318 174.828 174.600 -0.150 0.000 1.042 44 S CA -0.051 58.034 58.200 -0.191 0.000 0.935 44 S CB -0.003 63.017 63.200 -0.301 0.000 0.801 44 S HN 0.334 8.644 8.310 -0.000 0.000 0.509 45 D N 3.520 123.849 120.400 -0.117 0.000 2.487 45 D HA 0.221 4.872 4.640 0.018 0.000 0.243 45 D C 0.326 176.568 176.300 -0.096 0.000 1.154 45 D CA 0.737 54.697 54.000 -0.067 0.000 0.876 45 D CB 0.719 41.528 40.800 0.015 0.000 1.161 45 D HN 0.384 8.754 8.370 -0.000 0.000 0.478 46 T N -1.238 113.259 114.554 -0.096 0.000 2.906 46 T HA 0.260 4.621 4.350 0.018 0.000 0.295 46 T C 0.630 175.256 174.700 -0.123 0.000 1.075 46 T CA -0.907 61.119 62.100 -0.123 0.000 1.005 46 T CB 1.876 70.680 68.868 -0.108 0.000 1.136 46 T HN -0.045 8.195 8.240 -0.000 0.000 0.498 47 D N 1.033 121.336 120.400 -0.162 0.000 2.264 47 D HA -0.033 4.618 4.640 0.018 0.000 0.208 47 D C 1.746 177.986 176.300 -0.101 0.000 0.966 47 D CA 1.544 55.449 54.000 -0.158 0.000 0.864 47 D CB 0.065 40.741 40.800 -0.207 0.000 0.933 47 D HN 0.706 9.076 8.370 -0.000 0.000 0.499 48 S N -1.209 114.438 115.700 -0.088 0.000 2.663 48 S HA 0.491 4.973 4.470 0.018 0.000 0.243 48 S C 0.658 175.230 174.600 -0.046 0.000 1.009 48 S CA -0.312 57.852 58.200 -0.061 0.000 0.988 48 S CB 1.175 64.338 63.200 -0.062 0.000 0.896 48 S HN 0.143 8.453 8.310 -0.000 0.000 0.502 49 G N 0.607 109.378 108.800 -0.049 0.000 3.135 49 G HA2 0.535 4.506 3.960 0.018 0.000 0.278 49 G HA3 0.535 4.506 3.960 0.018 0.000 0.278 49 G C -1.392 173.491 174.900 -0.029 0.000 1.302 49 G CA -0.837 44.239 45.100 -0.039 0.000 0.880 49 G HN 0.315 8.605 8.290 -0.000 0.000 0.574 50 E N 0.287 120.470 120.200 -0.028 0.000 2.529 50 E HA 0.233 4.594 4.350 0.018 0.000 0.259 50 E C 0.047 176.636 176.600 -0.019 0.000 0.966 50 E CA 0.239 56.630 56.400 -0.015 0.000 0.937 50 E CB 0.241 29.927 29.700 -0.023 0.000 0.923 50 E HN 0.480 8.840 8.360 -0.000 0.000 0.468 51 R N 2.589 123.094 120.500 0.009 0.000 2.510 51 R HA 0.348 4.699 4.340 0.018 0.000 0.287 51 R C -0.673 175.654 176.300 0.045 0.000 1.084 51 R CA -0.802 55.306 56.100 0.013 0.000 0.934 51 R CB 1.573 31.872 30.300 -0.002 0.000 1.201 51 R HN 0.425 8.695 8.270 -0.000 0.000 0.431 52 T N 0.981 115.558 114.554 0.038 0.000 3.232 52 T HA 0.141 4.502 4.350 0.018 0.000 0.259 52 T C 1.438 175.978 174.700 -0.268 0.000 0.987 52 T CA 0.717 62.818 62.100 0.001 0.000 1.096 52 T CB 0.363 69.300 68.868 0.114 0.000 1.131 52 T HN 0.706 8.946 8.240 -0.000 0.000 0.445 53 G N 0.521 108.962 108.800 -0.598 0.000 2.494 53 G HA2 0.176 4.147 3.960 0.018 0.000 0.216 53 G HA3 0.176 4.147 3.960 0.018 0.000 0.216 53 G C 0.252 174.725 174.900 -0.712 0.000 1.140 53 G CA 0.332 44.590 45.100 -1.402 0.000 0.801 53 G HN 0.483 8.773 8.290 -0.000 0.000 0.536 54 H N -2.598 116.483 119.070 0.018 0.000 2.960 54 H HA 0.476 5.044 4.556 0.020 0.000 0.338 54 H C 0.230 175.595 175.328 0.062 0.000 1.261 54 H CA -0.682 55.477 56.048 0.185 0.000 1.136 54 H CB 0.756 30.615 29.762 0.161 0.000 1.875 54 H HN 0.147 8.427 8.280 -0.000 0.000 0.550 55 R N -0.080 120.519 120.500 0.166 0.000 3.502 55 R HA -0.180 4.171 4.340 0.018 0.000 0.266 55 R C -1.112 175.178 176.300 -0.017 0.000 1.077 55 R CA 0.892 56.993 56.100 0.001 0.000 0.718 55 R CB -2.783 27.384 30.300 -0.221 0.000 1.120 55 R HN 0.733 9.003 8.270 -0.000 0.000 0.457 56 S N -3.368 112.356 115.700 0.039 0.000 2.595 56 S HA 0.511 4.992 4.470 0.018 0.000 0.270 56 S C -2.503 172.153 174.600 0.093 0.000 1.145 56 S CA -1.100 57.140 58.200 0.067 0.000 0.825 56 S CB 2.386 65.632 63.200 0.076 0.000 1.107 56 S HN -0.119 8.191 8.310 -0.000 0.000 0.461 57 P HA -0.099 4.321 4.420 -0.000 0.000 0.217 57 P C 1.369 178.840 177.300 0.285 0.000 1.148 57 P CA 1.907 65.049 63.100 0.069 0.000 0.828 57 P CB -0.374 31.224 31.700 -0.170 0.000 0.783 58 S N -2.052 113.833 115.700 0.308 0.000 2.603 58 S HA -0.056 4.425 4.470 0.018 0.000 0.220 58 S C 1.641 176.424 174.600 0.304 0.000 0.967 58 S CA -0.290 58.128 58.200 0.364 0.000 0.920 58 S CB -1.555 61.834 63.200 0.314 0.000 0.773 58 S HN -0.037 8.273 8.310 -0.000 0.000 0.529 59 F N 2.839 122.843 119.950 0.089 0.000 2.085 59 F HA -0.200 4.341 4.527 0.023 0.000 0.299 59 F C 1.616 177.519 175.800 0.172 0.000 1.096 59 F CA 1.498 59.549 58.000 0.085 0.000 1.227 59 F CB -0.559 38.416 39.000 -0.041 0.000 0.983 59 F HN 0.215 8.515 8.300 -0.000 0.000 0.482 60 L N 0.427 121.536 121.223 -0.189 0.000 2.049 60 L HA -0.080 4.271 4.340 0.018 0.000 0.203 60 L C -0.273 176.473 176.870 -0.206 0.000 1.074 60 L CA 1.200 55.736 54.840 -0.507 0.000 0.749 60 L CB -2.153 39.288 42.059 -1.030 0.000 0.907 60 L HN 0.096 8.326 8.230 -0.000 0.000 0.439 61 P HA -0.230 4.190 4.420 -0.000 0.000 0.218 61 P C 1.325 178.738 177.300 0.189 0.000 1.149 61 P CA 1.433 64.665 63.100 0.221 0.000 0.817 61 P CB -0.117 31.699 31.700 0.193 0.000 0.785 62 W N 0.876 122.201 121.300 0.042 0.000 2.355 62 W HA -0.189 4.489 4.660 0.030 0.000 0.309 62 W C 2.405 178.945 176.519 0.035 0.000 1.206 62 W CA 1.797 59.177 57.345 0.059 0.000 1.284 62 W CB -0.969 28.462 29.460 -0.048 0.000 1.145 62 W HN 0.044 8.224 8.180 -0.000 0.000 0.502 63 H N -0.950 118.304 119.070 0.308 0.000 2.423 63 H HA -0.072 4.495 4.556 0.018 0.000 0.297 63 H C 2.180 177.614 175.328 0.176 0.000 1.075 63 H CA 2.031 58.217 56.048 0.230 0.000 1.342 63 H CB -0.248 29.514 29.762 0.000 0.000 1.395 63 H HN 0.094 8.374 8.280 -0.000 0.000 0.530 64 R N 0.571 121.222 120.500 0.253 0.000 2.073 64 R HA -0.164 4.187 4.340 0.018 0.000 0.234 64 R C 2.232 178.542 176.300 0.017 0.000 1.134 64 R CA 1.515 57.751 56.100 0.227 0.000 0.952 64 R CB 0.050 30.552 30.300 0.335 0.000 0.850 64 R HN 0.077 8.347 8.270 -0.000 0.000 0.433 65 R N -0.135 120.255 120.500 -0.184 0.000 2.092 65 R HA -0.108 4.243 4.340 0.018 0.000 0.231 65 R C 1.907 178.048 176.300 -0.265 0.000 1.119 65 R CA 1.500 57.302 56.100 -0.496 0.000 0.970 65 R CB -0.965 28.652 30.300 -1.138 0.000 0.864 65 R HN 0.300 8.570 8.270 -0.000 0.000 0.440 66 F N 0.168 119.946 119.950 -0.286 0.000 2.134 66 F HA -0.108 4.433 4.527 0.023 0.000 0.299 66 F C 1.561 177.505 175.800 0.241 0.000 1.097 66 F CA 1.281 59.276 58.000 -0.008 0.000 1.264 66 F CB -0.442 38.379 39.000 -0.299 0.000 1.001 66 F HN 0.052 8.352 8.300 -0.000 0.000 0.479 67 L N -0.210 121.160 121.223 0.245 0.000 2.093 67 L HA -0.180 4.171 4.340 0.018 0.000 0.208 67 L C 2.382 179.282 176.870 0.049 0.000 1.085 67 L CA 1.368 56.341 54.840 0.222 0.000 0.755 67 L CB -0.978 41.258 42.059 0.295 0.000 0.904 67 L HN 0.165 8.395 8.230 -0.000 0.000 0.435 68 L N -0.945 120.272 121.223 -0.011 0.000 2.046 68 L HA -0.238 4.113 4.340 0.018 0.000 0.208 68 L C 2.172 179.011 176.870 -0.051 0.000 1.077 68 L CA 1.107 55.905 54.840 -0.070 0.000 0.747 68 L CB -0.580 41.364 42.059 -0.191 0.000 0.896 68 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 69 D N -0.471 119.929 120.400 0.000 0.000 2.123 69 D HA -0.243 4.408 4.640 0.018 0.000 0.196 69 D C 1.870 178.214 176.300 0.074 0.000 0.992 69 D CA 1.330 55.407 54.000 0.128 0.000 0.833 69 D CB -0.226 40.792 40.800 0.364 0.000 0.954 69 D HN 0.222 8.592 8.370 -0.000 0.000 0.455 70 F N 1.455 121.189 119.950 -0.359 0.000 2.163 70 F HA -0.064 4.479 4.527 0.025 0.000 0.297 70 F C 2.285 177.745 175.800 -0.567 0.000 1.094 70 F CA 1.267 58.700 58.000 -0.944 0.000 1.290 70 F CB -0.061 37.878 39.000 -1.770 0.000 1.017 70 F HN -0.120 8.180 8.300 -0.000 0.000 0.483 71 E N -0.199 119.803 120.200 -0.329 0.000 2.110 71 E HA -0.280 4.081 4.350 0.018 0.000 0.193 71 E C 2.129 178.581 176.600 -0.248 0.000 0.988 71 E CA 1.555 57.787 56.400 -0.280 0.000 0.804 71 E CB -0.131 29.494 29.700 -0.126 0.000 0.745 71 E HN 0.593 8.953 8.360 -0.000 0.000 0.458 72 Q N -0.253 119.450 119.800 -0.162 0.000 2.124 72 Q HA -0.132 4.219 4.340 0.018 0.000 0.202 72 Q C 2.155 178.077 176.000 -0.131 0.000 0.977 72 Q CA 1.341 57.087 55.803 -0.096 0.000 0.850 72 Q CB -0.113 28.609 28.738 -0.027 0.000 0.901 72 Q HN 0.320 8.590 8.270 -0.000 0.000 0.429 73 A N 0.789 123.497 122.820 -0.186 0.000 1.902 73 A HA -0.160 4.171 4.320 0.018 0.000 0.217 73 A C 2.051 179.462 177.584 -0.287 0.000 1.181 73 A CA 1.049 52.977 52.037 -0.182 0.000 0.623 73 A CB -0.661 18.262 19.000 -0.128 0.000 0.818 73 A HN 0.290 8.440 8.150 -0.000 0.000 0.443 74 L N -0.902 120.030 121.223 -0.484 0.000 2.012 74 L HA -0.272 4.079 4.340 0.018 0.000 0.210 74 L C 2.857 179.601 176.870 -0.209 0.000 1.073 74 L CA 1.736 56.333 54.840 -0.407 0.000 0.748 74 L CB -0.583 41.195 42.059 -0.468 0.000 0.891 74 L HN 0.483 8.713 8.230 -0.000 0.000 0.431 75 Q N -0.618 119.082 119.800 -0.167 0.000 2.291 75 Q HA -0.166 4.185 4.340 0.018 0.000 0.205 75 Q C 2.353 178.312 176.000 -0.069 0.000 0.970 75 Q CA 1.560 57.309 55.803 -0.091 0.000 0.876 75 Q CB -0.094 28.605 28.738 -0.065 0.000 0.935 75 Q HN 0.598 8.868 8.270 -0.000 0.000 0.455 76 S N -0.746 114.908 115.700 -0.077 0.000 2.447 76 S HA -0.062 4.420 4.470 0.018 0.000 0.233 76 S C 1.852 176.425 174.600 -0.044 0.000 1.006 76 S CA 0.815 58.986 58.200 -0.047 0.000 0.957 76 S CB -0.052 63.127 63.200 -0.035 0.000 0.773 76 S HN 0.139 8.449 8.310 -0.000 0.000 0.507 77 V N 1.069 120.945 119.914 -0.063 0.000 2.492 77 V HA 0.201 4.333 4.120 0.018 0.000 0.241 77 V C 0.514 176.581 176.094 -0.045 0.000 1.041 77 V CA 1.241 63.510 62.300 -0.052 0.000 1.057 77 V CB -0.302 31.481 31.823 -0.067 0.000 0.711 77 V HN 0.557 8.747 8.190 -0.000 0.000 0.468 78 D N -0.728 119.639 120.400 -0.055 0.000 2.479 78 D HA 0.158 4.809 4.640 0.018 0.000 0.246 78 D C 0.830 177.109 176.300 -0.035 0.000 1.336 78 D CA 0.416 54.393 54.000 -0.038 0.000 0.967 78 D CB 1.836 42.615 40.800 -0.035 0.000 1.275 78 D HN 0.166 8.536 8.370 -0.000 0.000 0.577 79 S N 1.465 117.150 115.700 -0.026 0.000 2.555 79 S HA -0.123 4.358 4.470 0.018 0.000 0.230 79 S C 1.578 176.170 174.600 -0.014 0.000 0.978 79 S CA 0.895 59.082 58.200 -0.022 0.000 0.934 79 S CB -0.230 62.960 63.200 -0.015 0.000 0.766 79 S HN 0.355 8.665 8.310 -0.000 0.000 0.533 80 S N 0.292 115.986 115.700 -0.011 0.000 2.528 80 S HA 0.220 4.701 4.470 0.018 0.000 0.219 80 S C 0.471 175.075 174.600 0.007 0.000 0.985 80 S CA -0.351 57.847 58.200 -0.003 0.000 0.914 80 S CB -0.394 62.804 63.200 -0.004 0.000 0.776 80 S HN 0.283 8.593 8.310 -0.000 0.000 0.526 81 V N 3.291 123.209 119.914 0.008 0.000 2.546 81 V HA 0.530 4.661 4.120 0.018 0.000 0.284 81 V C 0.614 176.730 176.094 0.037 0.000 1.050 81 V CA 0.037 62.364 62.300 0.045 0.000 0.981 81 V CB 1.061 32.914 31.823 0.050 0.000 0.990 81 V HN 0.688 8.878 8.190 -0.000 0.000 0.474 82 T N 2.417 117.010 114.554 0.064 0.000 2.916 82 T HA 0.654 5.015 4.350 0.018 0.000 0.292 82 T C -0.583 174.171 174.700 0.091 0.000 1.064 82 T CA -0.895 61.228 62.100 0.039 0.000 1.011 82 T CB 1.286 70.158 68.868 0.007 0.000 1.152 82 T HN 0.306 8.546 8.240 -0.000 0.000 0.510 83 L N 2.780 124.043 121.223 0.067 0.000 2.418 83 L HA 0.331 4.682 4.340 0.018 0.000 0.274 83 L C -1.991 174.920 176.870 0.068 0.000 1.135 83 L CA -1.807 53.114 54.840 0.135 0.000 0.870 83 L CB 0.503 42.654 42.059 0.155 0.000 1.154 83 L HN 0.521 8.751 8.230 -0.000 0.000 0.462 84 P HA 0.204 4.623 4.420 -0.000 0.000 0.276 84 P C -1.460 175.908 177.300 0.113 0.000 1.252 84 P CA -0.237 62.835 63.100 -0.046 0.000 0.802 84 P CB 0.600 32.188 31.700 -0.187 0.000 1.035 85 Y N -1.975 118.382 120.300 0.096 0.000 2.509 85 Y HA 0.697 5.256 4.550 0.015 0.000 0.341 85 Y C -1.198 174.761 175.900 0.098 0.000 1.038 85 Y CA -1.498 56.689 58.100 0.145 0.000 1.089 85 Y CB 1.027 39.612 38.460 0.208 0.000 1.241 85 Y HN 0.365 8.645 8.280 -0.000 0.000 0.468 86 W N 5.253 126.571 121.300 0.030 0.000 2.278 86 W HA 0.354 5.023 4.660 0.016 0.000 0.317 86 W C -1.002 175.187 176.519 -0.549 0.000 1.030 86 W CA -1.624 55.599 57.345 -0.202 0.000 1.334 86 W CB 0.970 30.358 29.460 -0.120 0.000 1.215 86 W HN 0.695 8.875 8.180 -0.000 0.000 0.405 87 D N 6.678 126.684 120.400 -0.656 0.000 2.402 87 D HA 0.000 4.651 4.640 0.018 0.000 0.235 87 D C 1.224 176.844 176.300 -1.134 0.000 1.226 87 D CA -0.399 52.654 54.000 -1.577 0.000 0.918 87 D CB 0.137 40.374 40.800 -0.938 0.000 1.043 87 D HN 0.645 9.015 8.370 -0.000 0.000 0.506 88 W N 2.872 123.435 121.300 -1.229 0.000 2.961 88 W HA -0.044 4.627 4.660 0.019 0.000 0.240 88 W C 1.179 177.375 176.519 -0.539 0.000 1.305 88 W CA 0.285 56.946 57.345 -1.139 0.000 1.465 88 W CB -1.162 27.342 29.460 -1.594 0.000 1.135 88 W HN 0.399 8.579 8.180 -0.000 0.000 0.688 89 S N 0.745 116.294 115.700 -0.252 0.000 2.446 89 S HA 0.218 4.699 4.470 0.018 0.000 0.225 89 S C 1.960 176.518 174.600 -0.070 0.000 1.016 89 S CA 0.741 58.922 58.200 -0.031 0.000 0.943 89 S CB -0.252 62.954 63.200 0.010 0.000 0.786 89 S HN 0.140 8.450 8.310 -0.000 0.000 0.508 90 A N 1.459 124.196 122.820 -0.139 0.000 1.942 90 A HA 0.262 4.593 4.320 0.018 0.000 0.209 90 A C 0.758 178.340 177.584 -0.004 0.000 1.214 90 A CA 0.384 52.381 52.037 -0.066 0.000 0.686 90 A CB 0.049 18.995 19.000 -0.089 0.000 0.871 90 A HN 0.466 8.616 8.150 -0.000 0.000 0.460 91 D N 0.624 121.042 120.400 0.029 0.000 2.505 91 D HA 0.227 4.878 4.640 0.018 0.000 0.242 91 D C 0.416 176.890 176.300 0.290 0.000 1.136 91 D CA -0.114 53.986 54.000 0.166 0.000 0.954 91 D CB 0.435 41.360 40.800 0.207 0.000 1.002 91 D HN 0.591 8.961 8.370 -0.000 0.000 0.512 92 R N -0.636 119.967 120.500 0.172 0.000 2.472 92 R HA 0.102 4.453 4.340 0.018 0.000 0.279 92 R C 0.500 176.899 176.300 0.165 0.000 0.953 92 R CA -0.244 55.911 56.100 0.091 0.000 1.088 92 R CB 0.175 30.475 30.300 -0.000 0.000 1.197 92 R HN 0.135 8.405 8.270 -0.000 0.000 0.536 93 T N -2.647 112.074 114.554 0.278 0.000 2.940 93 T HA 0.268 4.629 4.350 0.018 0.000 0.288 93 T C 1.283 176.240 174.700 0.428 0.000 1.045 93 T CA -0.374 61.926 62.100 0.333 0.000 1.018 93 T CB 1.862 70.859 68.868 0.215 0.000 1.151 93 T HN -0.010 8.230 8.240 -0.000 0.000 0.529 94 V N -0.883 119.215 119.914 0.307 0.000 3.078 94 V HA 0.081 4.212 4.120 0.018 0.000 0.265 94 V C 2.228 178.451 176.094 0.214 0.000 1.122 94 V CA 0.938 63.325 62.300 0.145 0.000 1.141 94 V CB -1.233 30.565 31.823 -0.042 0.000 0.735 94 V HN 0.767 8.957 8.190 -0.000 0.000 0.498 95 R N 1.268 121.894 120.500 0.210 0.000 2.276 95 R HA 0.418 4.769 4.340 0.018 0.000 0.203 95 R C 1.310 177.728 176.300 0.196 0.000 1.017 95 R CA 0.693 56.896 56.100 0.171 0.000 1.010 95 R CB -0.692 29.681 30.300 0.123 0.000 0.900 95 R HN 0.689 8.959 8.270 -0.000 0.000 0.469 96 A N 0.293 123.279 122.820 0.276 0.000 2.520 96 A HA 0.045 4.376 4.320 0.018 0.000 0.235 96 A C 1.268 178.901 177.584 0.081 0.000 1.065 96 A CA 0.533 52.669 52.037 0.165 0.000 0.764 96 A CB 0.215 19.299 19.000 0.140 0.000 1.002 96 A HN 0.448 8.598 8.150 -0.000 0.000 0.502 97 S N 1.671 117.383 115.700 0.021 0.000 2.469 97 S HA -0.160 4.321 4.470 0.018 0.000 0.238 97 S C 1.639 176.219 174.600 -0.034 0.000 0.998 97 S CA 1.133 59.354 58.200 0.035 0.000 0.957 97 S CB -0.572 62.661 63.200 0.055 0.000 0.764 97 S HN 0.896 9.206 8.310 -0.000 0.000 0.514 98 L N 0.761 121.788 121.223 -0.327 0.000 2.051 98 L HA 0.011 4.362 4.340 0.018 0.000 0.214 98 L C 1.652 178.066 176.870 -0.760 0.000 1.076 98 L CA 1.528 55.835 54.840 -0.888 0.000 0.758 98 L CB -1.021 40.138 42.059 -1.500 0.000 0.890 98 L HN 0.544 8.774 8.230 -0.000 0.000 0.433 99 W N -0.489 120.691 121.300 -0.201 0.000 3.330 99 W HA 0.519 5.192 4.660 0.021 0.000 0.348 99 W C 1.036 177.539 176.519 -0.027 0.000 1.205 99 W CA -0.331 56.941 57.345 -0.122 0.000 1.841 99 W CB -0.401 29.006 29.460 -0.089 0.000 1.084 99 W HN 0.146 8.326 8.180 -0.000 0.000 0.665 100 A N 1.878 124.796 122.820 0.163 0.000 2.313 100 A HA 0.226 4.557 4.320 0.018 0.000 0.261 100 A C -1.142 176.531 177.584 0.148 0.000 1.090 100 A CA -1.003 51.124 52.037 0.149 0.000 0.807 100 A CB 0.125 19.200 19.000 0.125 0.000 1.055 100 A HN -0.049 8.101 8.150 -0.000 0.000 0.492 101 P HA -0.079 4.341 4.420 -0.000 0.000 0.230 101 P C 0.245 177.589 177.300 0.074 0.000 1.158 101 P CA 1.202 64.352 63.100 0.084 0.000 0.769 101 P CB -0.019 31.712 31.700 0.052 0.000 0.807 102 D N -2.630 117.823 120.400 0.088 0.000 2.328 102 D HA -0.011 4.640 4.640 0.018 0.000 0.221 102 D C 0.827 177.204 176.300 0.128 0.000 1.072 102 D CA -0.134 53.903 54.000 0.060 0.000 0.850 102 D CB -0.287 40.526 40.800 0.020 0.000 0.922 102 D HN 0.062 8.432 8.370 -0.000 0.000 0.516 103 F N 0.269 120.230 119.950 0.019 0.000 1.981 103 F HA 0.370 4.907 4.527 0.017 0.000 0.215 103 F C 0.931 176.821 175.800 0.150 0.000 1.260 103 F CA -0.368 57.663 58.000 0.051 0.000 1.284 103 F CB -0.253 38.729 39.000 -0.031 0.000 1.898 103 F HN -0.220 8.080 8.300 -0.000 0.000 0.175 104 L N 0.567 121.928 121.223 0.230 0.000 2.640 104 L HA 0.415 4.766 4.340 0.018 0.000 0.230 104 L C 0.615 177.670 176.870 0.308 0.000 1.123 104 L CA 0.406 55.399 54.840 0.255 0.000 0.900 104 L CB -0.504 41.462 42.059 -0.155 0.000 1.146 104 L HN 0.571 8.801 8.230 -0.000 0.000 0.484 105 G N 0.004 108.949 108.800 0.243 0.000 2.829 105 G HA2 -0.088 3.883 3.960 0.018 0.000 0.628 105 G HA3 -0.088 3.883 3.960 0.018 0.000 0.628 105 G C 0.050 175.116 174.900 0.277 0.000 1.412 105 G CA -0.519 44.709 45.100 0.215 0.000 0.864 105 G HN 0.352 8.642 8.290 -0.000 0.000 0.544 106 G N -1.404 107.496 108.800 0.167 0.000 2.849 106 G HA2 0.766 4.737 3.960 0.018 0.000 0.174 106 G HA3 0.766 4.737 3.960 0.018 0.000 0.174 106 G C 0.605 175.457 174.900 -0.080 0.000 1.370 106 G CA 0.909 46.059 45.100 0.084 0.000 1.040 106 G HN 1.394 9.684 8.290 -0.000 0.000 0.582 107 T N -1.133 113.303 114.554 -0.198 0.000 2.788 107 T HA 0.497 4.858 4.350 0.018 0.000 0.287 107 T C 0.832 175.460 174.700 -0.121 0.000 1.007 107 T CA 0.348 62.295 62.100 -0.254 0.000 1.005 107 T CB 0.334 69.014 68.868 -0.313 0.000 1.012 107 T HN 0.678 8.918 8.240 -0.000 0.000 0.530 108 G N 1.309 110.041 108.800 -0.112 0.000 2.420 108 G HA2 0.481 4.452 3.960 0.018 0.000 0.284 108 G HA3 0.481 4.452 3.960 0.018 0.000 0.284 108 G C -0.033 174.839 174.900 -0.047 0.000 1.177 108 G CA -0.807 44.269 45.100 -0.040 0.000 0.841 108 G HN 0.976 9.266 8.290 -0.000 0.000 0.527 109 R N -0.003 120.483 120.500 -0.023 0.000 2.774 109 R HA 0.190 4.542 4.340 0.018 0.000 0.269 109 R C 1.363 177.646 176.300 -0.028 0.000 1.068 109 R CA 0.333 56.414 56.100 -0.031 0.000 1.180 109 R CB 0.363 30.646 30.300 -0.028 0.000 1.077 109 R HN 0.439 8.709 8.270 -0.000 0.000 0.513 110 S N 0.149 115.829 115.700 -0.032 0.000 2.387 110 S HA -0.185 4.296 4.470 0.018 0.000 0.226 110 S C 1.882 176.473 174.600 -0.016 0.000 1.026 110 S CA 1.078 59.259 58.200 -0.032 0.000 0.972 110 S CB -0.815 62.364 63.200 -0.034 0.000 0.814 110 S HN 0.852 9.162 8.310 -0.000 0.000 0.477 111 T N 1.990 116.538 114.554 -0.010 0.000 2.622 111 T HA -0.180 4.181 4.350 0.018 0.000 0.266 111 T C 1.230 175.944 174.700 0.023 0.000 1.047 111 T CA 1.676 63.777 62.100 0.000 0.000 1.159 111 T CB -0.734 68.131 68.868 -0.006 0.000 0.863 111 T HN 0.674 8.914 8.240 -0.000 0.000 0.422 112 D N -0.157 120.268 120.400 0.042 0.000 2.540 112 D HA 0.307 4.958 4.640 0.018 0.000 0.229 112 D C 1.384 177.790 176.300 0.176 0.000 1.250 112 D CA 0.199 54.268 54.000 0.115 0.000 0.817 112 D CB -0.416 40.472 40.800 0.146 0.000 1.060 112 D HN 0.666 9.036 8.370 -0.000 0.000 0.508 113 G N 1.402 110.259 108.800 0.096 0.000 2.175 113 G HA2 -0.395 3.576 3.960 0.018 0.000 0.265 113 G HA3 -0.395 3.576 3.960 0.018 0.000 0.265 113 G C 0.343 175.333 174.900 0.150 0.000 0.979 113 G CA 0.219 45.372 45.100 0.087 0.000 0.663 113 G HN 0.597 8.887 8.290 -0.000 0.000 0.533 114 R N 0.428 121.035 120.500 0.179 0.000 2.421 114 R HA 0.384 4.735 4.340 0.018 0.000 0.305 114 R C 0.558 176.911 176.300 0.090 0.000 1.039 114 R CA -0.355 55.849 56.100 0.175 0.000 1.003 114 R CB 0.386 30.601 30.300 -0.141 0.000 0.959 114 R HN 0.066 8.336 8.270 -0.000 0.000 0.427 115 V N 7.200 127.195 119.914 0.135 0.000 2.529 115 V HA -0.043 4.088 4.120 0.018 0.000 0.292 115 V C 1.141 177.279 176.094 0.073 0.000 1.028 115 V CA 0.382 62.738 62.300 0.093 0.000 1.074 115 V CB 1.289 33.190 31.823 0.131 0.000 0.958 115 V HN 0.870 9.060 8.190 -0.000 0.000 0.481 116 M N 3.226 122.850 119.600 0.041 0.000 2.382 116 M HA 0.251 4.742 4.480 0.018 0.000 0.247 116 M C 0.203 176.521 176.300 0.031 0.000 1.104 116 M CA 0.127 55.441 55.300 0.023 0.000 1.030 116 M CB -0.452 32.149 32.600 0.001 0.000 1.424 116 M HN 0.886 9.176 8.290 -0.000 0.000 0.486 117 D N -1.076 119.352 120.400 0.047 0.000 2.652 117 D HA 0.622 5.273 4.640 0.018 0.000 0.285 117 D C 0.217 176.551 176.300 0.058 0.000 1.173 117 D CA -0.129 53.897 54.000 0.042 0.000 0.981 117 D CB 1.010 41.834 40.800 0.040 0.000 1.440 117 D HN 0.143 8.513 8.370 -0.000 0.000 0.485 118 G N -0.529 108.293 108.800 0.036 0.000 2.781 118 G HA2 -0.087 3.884 3.960 0.018 0.000 0.683 118 G HA3 -0.087 3.884 3.960 0.018 0.000 0.683 118 G C -2.311 172.532 174.900 -0.094 0.000 1.390 118 G CA -0.293 44.819 45.100 0.020 0.000 0.850 118 G HN 0.544 8.834 8.290 -0.000 0.000 0.557 119 P HA 0.187 4.607 4.420 -0.000 0.000 0.237 119 P C 1.044 177.929 177.300 -0.692 0.000 1.178 119 P CA 0.935 63.707 63.100 -0.547 0.000 0.766 119 P CB -0.026 31.167 31.700 -0.844 0.000 0.876 120 F N -0.919 118.952 119.950 -0.132 0.000 2.653 120 F HA 0.397 4.934 4.527 0.017 0.000 0.304 120 F C 1.301 177.100 175.800 -0.000 0.000 1.092 120 F CA -0.748 57.099 58.000 -0.254 0.000 1.279 120 F CB -0.386 38.184 39.000 -0.715 0.000 1.044 120 F HN -0.220 8.080 8.300 -0.000 0.000 0.564 121 A N 0.815 123.718 122.820 0.138 0.000 2.511 121 A HA 0.439 4.770 4.320 0.018 0.000 0.242 121 A C 1.662 179.358 177.584 0.187 0.000 1.069 121 A CA 0.480 52.610 52.037 0.155 0.000 0.763 121 A CB 0.238 19.289 19.000 0.086 0.000 1.001 121 A HN 0.429 8.579 8.150 -0.000 0.000 0.498 122 A N 2.250 125.198 122.820 0.214 0.000 1.948 122 A HA -0.132 4.199 4.320 0.018 0.000 0.220 122 A C 2.378 180.038 177.584 0.127 0.000 1.177 122 A CA 2.415 54.578 52.037 0.210 0.000 0.636 122 A CB -1.099 18.033 19.000 0.220 0.000 0.815 122 A HN 1.774 9.924 8.150 -0.000 0.000 0.449 123 S N -0.052 115.695 115.700 0.078 0.000 2.469 123 S HA -0.177 4.304 4.470 0.018 0.000 0.238 123 S C 1.795 176.424 174.600 0.049 0.000 0.998 123 S CA 1.849 60.076 58.200 0.045 0.000 0.957 123 S CB -1.419 61.794 63.200 0.021 0.000 0.764 123 S HN 0.854 9.164 8.310 -0.000 0.000 0.514 124 T N -2.045 112.547 114.554 0.063 0.000 2.962 124 T HA 0.289 4.650 4.350 0.018 0.000 0.270 124 T C 1.867 176.604 174.700 0.061 0.000 1.088 124 T CA 1.055 63.184 62.100 0.048 0.000 1.127 124 T CB -1.062 67.827 68.868 0.034 0.000 0.883 124 T HN 1.250 9.490 8.240 -0.000 0.000 0.493 125 G N 1.572 110.424 108.800 0.087 0.000 2.184 125 G HA2 -0.284 3.687 3.960 0.018 0.000 0.264 125 G HA3 -0.284 3.687 3.960 0.018 0.000 0.264 125 G C 0.738 175.702 174.900 0.107 0.000 0.975 125 G CA 0.335 45.487 45.100 0.087 0.000 0.642 125 G HN 0.557 8.847 8.290 -0.000 0.000 0.536 126 N N -0.917 117.872 118.700 0.149 0.000 2.205 126 N HA 0.160 4.911 4.740 0.018 0.000 0.201 126 N C 0.050 175.777 175.510 0.361 0.000 1.128 126 N CA 0.136 53.299 53.050 0.188 0.000 0.867 126 N CB 0.168 38.738 38.487 0.137 0.000 0.996 126 N HN 0.653 9.033 8.380 -0.000 0.000 0.503 127 W N 3.489 124.839 121.300 0.083 0.000 1.713 127 W HA 0.268 4.937 4.660 0.015 0.000 0.303 127 W C -2.944 173.641 176.519 0.110 0.000 0.915 127 W CA -1.145 56.270 57.345 0.117 0.000 1.751 127 W CB 1.263 30.851 29.460 0.213 0.000 1.955 127 W HN -0.150 8.030 8.180 -0.000 0.000 0.405 128 P HA 0.125 4.545 4.420 -0.000 0.000 0.271 128 P C -0.137 177.055 177.300 -0.181 0.000 1.216 128 P CA 0.199 63.267 63.100 -0.053 0.000 0.771 128 P CB 1.670 33.347 31.700 -0.037 0.000 0.864 129 I N 4.115 124.648 120.570 -0.062 0.000 2.291 129 I HA 0.118 4.299 4.170 0.018 0.000 0.292 129 I C 1.237 177.330 176.117 -0.041 0.000 1.064 129 I CA -0.078 61.180 61.300 -0.070 0.000 1.269 129 I CB 0.113 38.110 38.000 -0.005 0.000 1.418 129 I HN 0.341 8.551 8.210 -0.000 0.000 0.485 130 N N 4.333 123.005 118.700 -0.046 0.000 2.511 130 N HA 0.039 4.790 4.740 0.018 0.000 0.190 130 N C 0.454 175.967 175.510 0.006 0.000 1.037 130 N CA 0.603 53.644 53.050 -0.015 0.000 0.895 130 N CB 0.412 38.889 38.487 -0.015 0.000 1.149 130 N HN 0.282 8.662 8.380 -0.000 0.000 0.437 131 V N 4.198 124.125 119.914 0.022 0.000 2.405 131 V HA 0.243 4.374 4.120 0.018 0.000 0.264 131 V C 0.368 176.482 176.094 0.034 0.000 1.048 131 V CA -0.105 62.218 62.300 0.038 0.000 0.966 131 V CB -0.335 31.528 31.823 0.067 0.000 1.015 131 V HN 0.361 8.551 8.190 -0.000 0.000 0.477 132 R N 3.249 123.761 120.500 0.021 0.000 2.690 132 R HA 0.655 5.006 4.340 0.018 0.000 0.269 132 R C -1.348 174.954 176.300 0.004 0.000 1.037 132 R CA -0.810 55.296 56.100 0.011 0.000 0.877 132 R CB 1.685 31.982 30.300 -0.005 0.000 1.255 132 R HN 0.107 8.377 8.270 -0.000 0.000 0.467 133 V N -0.980 118.934 119.914 -0.001 0.000 2.948 133 V HA 0.051 4.182 4.120 0.018 0.000 0.234 133 V C 0.413 176.498 176.094 -0.014 0.000 1.205 133 V CA 0.865 63.161 62.300 -0.006 0.000 1.234 133 V CB -0.065 31.756 31.823 -0.004 0.000 1.020 133 V HN 0.862 9.052 8.190 -0.000 0.000 0.491 134 D N 1.748 122.136 120.400 -0.021 0.000 2.472 134 D HA -0.045 4.606 4.640 0.018 0.000 0.248 134 D C 1.470 177.743 176.300 -0.045 0.000 1.174 134 D CA 0.951 54.929 54.000 -0.035 0.000 0.883 134 D CB 1.590 42.361 40.800 -0.049 0.000 1.149 134 D HN 0.381 8.751 8.370 -0.000 0.000 0.488 135 S N 4.069 119.748 115.700 -0.035 0.000 2.474 135 S HA -0.086 4.395 4.470 0.018 0.000 0.235 135 S C 0.984 175.557 174.600 -0.044 0.000 0.997 135 S CA 0.171 58.355 58.200 -0.027 0.000 0.949 135 S CB 0.074 63.268 63.200 -0.009 0.000 0.766 135 S HN 0.441 8.751 8.310 -0.000 0.000 0.517 136 R N 1.567 122.010 120.500 -0.097 0.000 2.679 136 R HA 0.203 4.554 4.340 0.018 0.000 0.268 136 R C 0.933 177.111 176.300 -0.203 0.000 1.044 136 R CA 0.842 56.835 56.100 -0.178 0.000 1.105 136 R CB 0.164 30.211 30.300 -0.421 0.000 0.989 136 R HN 0.507 8.777 8.270 -0.000 0.000 0.447 137 T N -1.673 112.823 114.554 -0.096 0.000 3.174 137 T HA 0.147 4.508 4.350 0.018 0.000 0.269 137 T C -0.283 174.477 174.700 0.100 0.000 1.017 137 T CA -0.535 61.566 62.100 0.002 0.000 0.899 137 T CB -0.190 68.718 68.868 0.066 0.000 1.077 137 T HN 0.559 8.799 8.240 -0.000 0.000 0.552 138 Y N -0.015 120.336 120.300 0.086 0.000 2.446 138 Y HA 0.782 5.343 4.550 0.018 0.000 0.338 138 Y C -0.188 175.805 175.900 0.156 0.000 1.055 138 Y CA -2.682 55.492 58.100 0.123 0.000 1.101 138 Y CB 0.617 39.136 38.460 0.097 0.000 1.221 138 Y HN -0.033 8.247 8.280 -0.000 0.000 0.460 139 L N 4.169 125.622 121.223 0.383 0.000 2.499 139 L HA 0.311 4.662 4.340 0.018 0.000 0.273 139 L C -0.515 176.519 176.870 0.273 0.000 1.195 139 L CA 0.277 55.311 54.840 0.323 0.000 0.882 139 L CB 0.072 42.368 42.059 0.396 0.000 1.133 139 L HN 0.843 9.073 8.230 -0.000 0.000 0.483 140 R N 4.906 125.505 120.500 0.164 0.000 2.750 140 R HA 0.776 5.127 4.340 0.018 0.000 0.281 140 R C -0.979 175.362 176.300 0.069 0.000 0.972 140 R CA -0.931 55.246 56.100 0.128 0.000 0.912 140 R CB 2.015 32.353 30.300 0.063 0.000 1.187 140 R HN 0.637 8.907 8.270 -0.000 0.000 0.464 141 R N -0.004 120.503 120.500 0.013 0.000 2.680 141 R HA 0.349 4.700 4.340 0.018 0.000 0.269 141 R C -1.248 174.967 176.300 -0.141 0.000 1.026 141 R CA -0.761 55.292 56.100 -0.078 0.000 0.889 141 R CB 2.409 32.621 30.300 -0.146 0.000 1.241 141 R HN 0.483 8.753 8.270 -0.000 0.000 0.463 142 S N 2.739 118.307 115.700 -0.220 0.000 2.216 142 S HA 0.306 4.787 4.470 0.018 0.000 0.156 142 S C -0.517 173.796 174.600 -0.478 0.000 1.665 142 S CA -0.642 57.393 58.200 -0.276 0.000 1.262 142 S CB 0.152 63.236 63.200 -0.193 0.000 1.207 142 S HN 0.445 8.755 8.310 -0.000 0.000 0.427 143 L N 3.056 123.885 121.223 -0.658 0.000 2.584 143 L HA 0.242 4.593 4.340 0.018 0.000 0.272 143 L C 1.600 177.741 176.870 -1.215 0.000 1.195 143 L CA 0.882 55.008 54.840 -1.189 0.000 0.920 143 L CB -0.139 41.196 42.059 -1.206 0.000 1.173 143 L HN 0.913 9.143 8.230 -0.000 0.000 0.489 144 G N 2.667 110.431 108.800 -1.726 0.000 2.148 144 G HA2 -0.272 3.700 3.960 0.018 0.000 0.254 144 G HA3 -0.272 3.700 3.960 0.018 0.000 0.254 144 G C 0.889 175.513 174.900 -0.461 0.000 0.981 144 G CA 0.325 44.815 45.100 -1.017 0.000 0.670 144 G HN 0.891 9.181 8.290 -0.000 0.000 0.528 145 G N 0.057 108.597 108.800 -0.434 0.000 2.424 145 G HA2 0.115 4.086 3.960 0.018 0.000 0.214 145 G HA3 0.115 4.086 3.960 0.018 0.000 0.214 145 G C 1.735 176.541 174.900 -0.156 0.000 1.202 145 G CA 1.824 46.778 45.100 -0.243 0.000 0.793 145 G HN 0.791 9.081 8.290 -0.000 0.000 0.534 146 S N -1.305 114.311 115.700 -0.140 0.000 2.548 146 S HA 0.395 4.876 4.470 0.018 0.000 0.215 146 S C -0.106 174.469 174.600 -0.042 0.000 0.976 146 S CA -0.017 58.138 58.200 -0.075 0.000 0.908 146 S CB 0.592 63.756 63.200 -0.059 0.000 0.781 146 S HN 0.199 8.509 8.310 -0.000 0.000 0.519 147 V N 0.266 120.162 119.914 -0.031 0.000 2.891 147 V HA 0.654 4.785 4.120 0.018 0.000 0.304 147 V C 0.388 176.546 176.094 0.106 0.000 1.171 147 V CA -0.436 61.889 62.300 0.041 0.000 0.943 147 V CB 1.552 33.415 31.823 0.067 0.000 1.037 147 V HN 0.107 8.297 8.190 -0.000 0.000 0.427 148 A N 4.892 127.772 122.820 0.101 0.000 1.855 148 A HA 0.171 4.502 4.320 0.018 0.000 0.215 148 A C 0.783 178.527 177.584 0.268 0.000 1.191 148 A CA 1.219 53.333 52.037 0.128 0.000 0.613 148 A CB -0.092 18.954 19.000 0.076 0.000 0.829 148 A HN 0.778 8.928 8.150 -0.000 0.000 0.442 149 E N -0.966 119.359 120.200 0.208 0.000 2.288 149 E HA 0.544 4.905 4.350 0.018 0.000 0.268 149 E C -1.102 175.464 176.600 -0.056 0.000 0.885 149 E CA -0.637 55.844 56.400 0.136 0.000 0.767 149 E CB 1.623 31.356 29.700 0.055 0.000 1.220 149 E HN 0.323 8.683 8.360 -0.000 0.000 0.427 150 L N 2.404 123.413 121.223 -0.356 0.000 2.473 150 L HA 0.189 4.540 4.340 0.018 0.000 0.268 150 L C -1.983 174.748 176.870 -0.231 0.000 1.215 150 L CA -1.473 53.065 54.840 -0.502 0.000 0.823 150 L CB -0.168 41.468 42.059 -0.705 0.000 1.099 150 L HN 0.168 8.398 8.230 -0.000 0.000 0.483 151 P HA 0.038 4.458 4.420 -0.000 0.000 0.268 151 P C -0.647 176.691 177.300 0.064 0.000 1.208 151 P CA -0.229 62.849 63.100 -0.036 0.000 0.777 151 P CB 0.462 32.171 31.700 0.014 0.000 0.875 152 T N -1.037 113.556 114.554 0.066 0.000 2.912 152 T HA 0.370 4.731 4.350 0.018 0.000 0.280 152 T C 1.193 175.948 174.700 0.093 0.000 0.989 152 T CA -0.601 61.539 62.100 0.066 0.000 0.995 152 T CB 1.168 70.062 68.868 0.043 0.000 1.077 152 T HN 0.114 8.354 8.240 -0.000 0.000 0.531 153 R N 0.973 121.513 120.500 0.066 0.000 2.091 153 R HA -0.027 4.324 4.340 0.018 0.000 0.238 153 R C 2.504 178.847 176.300 0.071 0.000 1.136 153 R CA 2.186 58.325 56.100 0.065 0.000 0.959 153 R CB -1.418 28.906 30.300 0.040 0.000 0.856 153 R HN 0.845 9.115 8.270 -0.000 0.000 0.437 154 A N 0.440 123.295 122.820 0.059 0.000 1.908 154 A HA -0.198 4.133 4.320 0.018 0.000 0.218 154 A C 1.996 179.623 177.584 0.071 0.000 1.181 154 A CA 1.869 53.941 52.037 0.058 0.000 0.627 154 A CB -0.515 18.512 19.000 0.045 0.000 0.818 154 A HN 0.579 8.729 8.150 -0.000 0.000 0.445 155 E N -0.479 119.768 120.200 0.078 0.000 2.106 155 E HA -0.088 4.273 4.350 0.018 0.000 0.192 155 E C 1.961 178.635 176.600 0.123 0.000 0.984 155 E CA 1.082 57.536 56.400 0.089 0.000 0.806 155 E CB -0.258 29.488 29.700 0.076 0.000 0.750 155 E HN 0.392 8.752 8.360 -0.000 0.000 0.458 156 V N 2.009 122.014 119.914 0.151 0.000 2.332 156 V HA -0.246 3.885 4.120 0.018 0.000 0.248 156 V C 2.212 178.400 176.094 0.157 0.000 1.055 156 V CA 1.697 64.104 62.300 0.179 0.000 1.038 156 V CB -0.429 31.499 31.823 0.175 0.000 0.651 156 V HN 0.225 8.415 8.190 -0.000 0.000 0.450 157 E N 0.620 120.892 120.200 0.120 0.000 2.110 157 E HA -0.190 4.171 4.350 0.018 0.000 0.193 157 E C 2.525 179.197 176.600 0.121 0.000 0.988 157 E CA 1.700 58.165 56.400 0.109 0.000 0.804 157 E CB -0.379 29.366 29.700 0.075 0.000 0.745 157 E HN 0.770 9.130 8.360 -0.000 0.000 0.458 158 S N 0.308 116.074 115.700 0.109 0.000 2.383 158 S HA -0.094 4.387 4.470 0.018 0.000 0.227 158 S C 2.219 176.893 174.600 0.123 0.000 1.026 158 S CA 1.183 59.441 58.200 0.096 0.000 0.981 158 S CB -0.401 62.843 63.200 0.073 0.000 0.818 158 S HN 0.051 8.361 8.310 -0.000 0.000 0.472 159 V N 1.850 121.866 119.914 0.170 0.000 2.488 159 V HA 0.038 4.169 4.120 0.018 0.000 0.246 159 V C 2.518 178.864 176.094 0.419 0.000 1.046 159 V CA 1.354 63.797 62.300 0.239 0.000 1.053 159 V CB -0.770 31.189 31.823 0.228 0.000 0.679 159 V HN 0.460 8.650 8.190 -0.000 0.000 0.458 160 L N 0.381 121.839 121.223 0.392 0.000 2.191 160 L HA -0.138 4.213 4.340 0.018 0.000 0.212 160 L C 2.533 179.659 176.870 0.427 0.000 1.103 160 L CA 1.362 56.460 54.840 0.430 0.000 0.769 160 L CB -0.625 41.595 42.059 0.269 0.000 0.908 160 L HN 0.377 8.607 8.230 -0.000 0.000 0.438 161 A N -0.173 122.823 122.820 0.295 0.000 2.168 161 A HA 0.063 4.394 4.320 0.018 0.000 0.215 161 A C 1.140 178.867 177.584 0.239 0.000 1.152 161 A CA 0.168 52.359 52.037 0.258 0.000 0.716 161 A CB -0.515 18.568 19.000 0.138 0.000 0.794 161 A HN 0.292 8.442 8.150 -0.000 0.000 0.465 162 I N 0.510 121.210 120.570 0.218 0.000 2.452 162 I HA 0.011 4.192 4.170 0.018 0.000 0.287 162 I C 1.657 177.771 176.117 -0.004 0.000 1.079 162 I CA 0.023 61.393 61.300 0.116 0.000 1.387 162 I CB 1.364 39.440 38.000 0.126 0.000 1.404 162 I HN 0.254 8.464 8.210 -0.000 0.000 0.522 163 S N 5.322 120.963 115.700 -0.098 0.000 2.425 163 S HA 0.102 4.583 4.470 0.018 0.000 0.225 163 S C 1.037 175.676 174.600 0.065 0.000 1.024 163 S CA 0.334 58.374 58.200 -0.267 0.000 0.951 163 S CB 0.163 63.328 63.200 -0.058 0.000 0.796 163 S HN 0.730 9.040 8.310 -0.000 0.000 0.498 164 A N 0.765 123.681 122.820 0.160 0.000 2.362 164 A HA 0.457 4.788 4.320 0.018 0.000 0.276 164 A C 0.463 178.235 177.584 0.314 0.000 1.153 164 A CA -0.417 51.766 52.037 0.243 0.000 0.813 164 A CB -0.229 18.860 19.000 0.148 0.000 1.081 164 A HN 0.634 8.784 8.150 -0.000 0.000 0.507 165 Y N 2.031 122.489 120.300 0.263 0.000 2.097 165 Y HA -0.102 4.459 4.550 0.018 0.000 0.282 165 Y C 0.639 176.531 175.900 -0.013 0.000 1.152 165 Y CA 2.526 60.614 58.100 -0.020 0.000 1.136 165 Y CB 0.305 38.770 38.460 0.009 0.000 0.975 165 Y HN 0.704 8.984 8.280 -0.000 0.000 0.498 166 D N -1.394 119.055 120.400 0.083 0.000 2.639 166 D HA 0.438 5.089 4.640 0.018 0.000 0.271 166 D C -1.892 174.515 176.300 0.178 0.000 1.254 166 D CA -0.470 53.552 54.000 0.038 0.000 0.810 166 D CB 1.335 42.145 40.800 0.017 0.000 1.351 166 D HN 0.101 8.471 8.370 -0.000 0.000 0.427 167 L N 1.062 122.290 121.223 0.008 0.000 2.434 167 L HA 0.487 4.838 4.340 0.018 0.000 0.260 167 L C -2.386 174.027 176.870 -0.761 0.000 0.983 167 L CA -2.021 52.678 54.840 -0.235 0.000 0.820 167 L CB 2.657 44.644 42.059 -0.119 0.000 1.361 167 L HN 0.186 8.416 8.230 -0.000 0.000 0.410 168 P HA 0.018 4.438 4.420 -0.000 0.000 0.265 168 P C -2.172 174.870 177.300 -0.431 0.000 1.187 168 P CA -0.588 61.978 63.100 -0.890 0.000 0.766 168 P CB 0.017 31.443 31.700 -0.455 0.000 0.820 169 P HA 0.062 4.482 4.420 -0.000 0.000 0.256 169 P C -0.633 176.592 177.300 -0.125 0.000 1.384 169 P CA -0.329 62.635 63.100 -0.227 0.000 0.879 169 P CB -0.362 31.268 31.700 -0.116 0.000 1.403 170 Y N -0.122 120.151 120.300 -0.045 0.000 3.234 170 Y HA -0.307 4.255 4.550 0.020 0.000 0.207 170 Y C 0.790 176.648 175.900 -0.069 0.000 1.316 170 Y CA 0.430 58.499 58.100 -0.051 0.000 1.309 170 Y CB -2.420 36.025 38.460 -0.025 0.000 1.408 170 Y HN 0.395 8.675 8.280 -0.000 0.000 0.544 171 N N -2.361 116.337 118.700 -0.005 0.000 3.522 171 N HA 0.315 5.066 4.740 0.018 0.000 0.328 171 N C 0.699 176.116 175.510 -0.154 0.000 1.623 171 N CA -0.316 52.687 53.050 -0.080 0.000 0.812 171 N CB -0.173 38.252 38.487 -0.104 0.000 2.008 171 N HN -0.077 8.303 8.380 -0.000 0.000 0.601 172 S N -1.973 113.547 115.700 -0.299 0.000 2.507 172 S HA 0.058 4.539 4.470 0.018 0.000 0.235 172 S C 1.352 175.838 174.600 -0.190 0.000 0.988 172 S CA 0.711 58.677 58.200 -0.390 0.000 0.944 172 S CB -0.804 61.868 63.200 -0.879 0.000 0.762 172 S HN 0.824 9.134 8.310 -0.000 0.000 0.526 173 A N 0.823 123.547 122.820 -0.161 0.000 2.275 173 A HA 0.489 4.820 4.320 0.018 0.000 0.212 173 A C 1.042 178.570 177.584 -0.094 0.000 1.201 173 A CA -0.285 51.684 52.037 -0.113 0.000 0.843 173 A CB -0.247 18.688 19.000 -0.108 0.000 0.873 173 A HN 0.420 8.570 8.150 -0.000 0.000 0.492 174 S N 1.429 117.071 115.700 -0.097 0.000 2.572 174 S HA 0.208 4.689 4.470 0.018 0.000 0.279 174 S C 0.419 174.994 174.600 -0.041 0.000 1.341 174 S CA -0.307 57.841 58.200 -0.086 0.000 1.043 174 S CB 0.561 63.709 63.200 -0.086 0.000 0.887 174 S HN 0.515 8.825 8.310 -0.000 0.000 0.516 175 E N 0.553 120.754 120.200 0.001 0.000 2.622 175 E HA 0.624 4.985 4.350 0.018 0.000 0.255 175 E C 0.758 177.425 176.600 0.111 0.000 1.313 175 E CA 0.218 56.691 56.400 0.121 0.000 1.011 175 E CB 0.451 30.205 29.700 0.090 0.000 1.173 175 E HN 0.923 9.283 8.360 -0.000 0.000 0.601 176 G N -0.445 108.440 108.800 0.143 0.000 2.619 176 G HA2 -0.255 3.716 3.960 0.018 0.000 0.686 176 G HA3 -0.255 3.716 3.960 0.018 0.000 0.686 176 G C 0.065 175.024 174.900 0.098 0.000 1.256 176 G CA -0.214 44.934 45.100 0.079 0.000 0.826 176 G HN 0.370 8.660 8.290 -0.000 0.000 0.619 177 F N 1.305 121.157 119.950 -0.163 0.000 2.069 177 F HA -0.055 4.482 4.527 0.017 0.000 0.298 177 F C 2.743 178.348 175.800 -0.325 0.000 1.113 177 F CA 2.638 60.477 58.000 -0.268 0.000 1.214 177 F CB -0.144 38.489 39.000 -0.611 0.000 0.978 177 F HN 0.605 8.905 8.300 -0.000 0.000 0.474 178 R N 0.835 120.894 120.500 -0.735 0.000 2.094 178 R HA -0.262 4.089 4.340 0.018 0.000 0.239 178 R C 2.020 178.014 176.300 -0.510 0.000 1.137 178 R CA 2.181 57.790 56.100 -0.819 0.000 0.943 178 R CB -1.433 28.399 30.300 -0.780 0.000 0.850 178 R HN 0.366 8.636 8.270 -0.000 0.000 0.433 179 N N -0.245 118.271 118.700 -0.307 0.000 2.270 179 N HA -0.114 4.637 4.740 0.018 0.000 0.181 179 N C 1.552 176.900 175.510 -0.269 0.000 1.016 179 N CA 1.301 54.219 53.050 -0.220 0.000 0.870 179 N CB -0.136 38.270 38.487 -0.134 0.000 0.979 179 N HN 0.372 8.752 8.380 -0.000 0.000 0.431 180 H N -0.961 117.969 119.070 -0.233 0.000 2.395 180 H HA 0.022 4.589 4.556 0.018 0.000 0.299 180 H C 1.652 176.837 175.328 -0.238 0.000 1.070 180 H CA 1.124 57.066 56.048 -0.177 0.000 1.356 180 H CB -0.120 29.585 29.762 -0.095 0.000 1.401 180 H HN 0.129 8.409 8.280 -0.000 0.000 0.524 181 L N 0.916 121.946 121.223 -0.323 0.000 2.056 181 L HA -0.103 4.248 4.340 0.018 0.000 0.207 181 L C 2.159 178.897 176.870 -0.219 0.000 1.078 181 L CA 1.816 56.468 54.840 -0.313 0.000 0.749 181 L CB -0.606 41.052 42.059 -0.670 0.000 0.901 181 L HN 0.293 8.523 8.230 -0.000 0.000 0.433 182 E N -0.817 119.167 120.200 -0.360 0.000 2.051 182 E HA -0.106 4.255 4.350 0.018 0.000 0.192 182 E C 1.392 177.752 176.600 -0.401 0.000 0.991 182 E CA 1.334 57.408 56.400 -0.543 0.000 0.799 182 E CB -0.183 28.965 29.700 -0.919 0.000 0.748 182 E HN 0.657 9.017 8.360 -0.000 0.000 0.449 183 G N -1.051 107.512 108.800 -0.395 0.000 2.205 183 G HA2 -0.193 3.778 3.960 0.018 0.000 0.180 183 G HA3 -0.193 3.778 3.960 0.018 0.000 0.180 183 G C 0.318 175.006 174.900 -0.352 0.000 1.004 183 G CA 0.100 44.988 45.100 -0.354 0.000 0.670 183 G HN 0.323 8.613 8.290 -0.000 0.000 0.496 184 W N 0.878 122.046 121.300 -0.220 0.000 2.519 184 W HA 0.354 5.024 4.660 0.018 0.000 0.266 184 W C 1.443 177.833 176.519 -0.215 0.000 1.253 184 W CA 0.360 57.588 57.345 -0.194 0.000 1.274 184 W CB 0.245 29.589 29.460 -0.193 0.000 1.114 184 W HN -0.004 8.176 8.180 -0.000 0.000 0.596 185 R N 0.097 120.519 120.500 -0.131 0.000 2.750 185 R HA 0.603 4.954 4.340 0.018 0.000 0.281 185 R C 0.356 176.440 176.300 -0.359 0.000 0.972 185 R CA 0.117 56.064 56.100 -0.255 0.000 0.912 185 R CB 1.226 31.307 30.300 -0.365 0.000 1.187 185 R HN 0.100 8.370 8.270 -0.000 0.000 0.464 186 G N 0.113 108.826 108.800 -0.145 0.000 2.627 186 G HA2 -0.280 3.691 3.960 0.018 0.000 0.214 186 G HA3 -0.280 3.691 3.960 0.018 0.000 0.214 186 G C 0.357 175.262 174.900 0.007 0.000 1.331 186 G CA -0.264 44.844 45.100 0.014 0.000 0.891 186 G HN 0.408 8.698 8.290 -0.000 0.000 0.539 187 V N 0.992 120.941 119.914 0.059 0.000 2.720 187 V HA 0.069 4.200 4.120 0.018 0.000 0.256 187 V C 1.174 177.251 176.094 -0.028 0.000 1.082 187 V CA 2.798 65.111 62.300 0.022 0.000 1.101 187 V CB -1.250 30.601 31.823 0.047 0.000 0.693 187 V HN 2.296 10.486 8.190 -0.000 0.000 0.479 188 N N -1.130 117.539 118.700 -0.052 0.000 2.552 188 N HA -0.155 4.596 4.740 0.018 0.000 0.276 188 N C -0.254 175.160 175.510 -0.160 0.000 1.526 188 N CA 0.904 53.877 53.050 -0.128 0.000 1.048 188 N CB -1.190 37.207 38.487 -0.150 0.000 0.866 188 N HN 0.329 8.709 8.380 -0.000 0.000 0.477 189 L N 2.288 123.417 121.223 -0.156 0.000 2.370 189 L HA 0.091 4.442 4.340 0.018 0.000 0.191 189 L C 2.235 178.884 176.870 -0.368 0.000 1.203 189 L CA 0.290 54.996 54.840 -0.225 0.000 0.825 189 L CB -0.863 41.213 42.059 0.028 0.000 1.048 189 L HN 0.734 8.964 8.230 -0.000 0.000 0.487 190 H N 0.732 119.648 119.070 -0.257 0.000 2.357 190 H HA -0.103 4.464 4.556 0.018 0.000 0.301 190 H C 1.727 176.989 175.328 -0.111 0.000 1.082 190 H CA 1.783 57.752 56.048 -0.133 0.000 1.342 190 H CB 0.107 29.857 29.762 -0.021 0.000 1.389 190 H HN 0.269 8.549 8.280 -0.000 0.000 0.511 191 N N 1.150 119.618 118.700 -0.387 0.000 2.120 191 N HA -0.139 4.612 4.740 0.018 0.000 0.188 191 N C 2.271 177.575 175.510 -0.343 0.000 1.024 191 N CA 1.070 53.836 53.050 -0.472 0.000 0.852 191 N CB -0.539 37.577 38.487 -0.618 0.000 1.003 191 N HN 0.428 8.808 8.380 -0.000 0.000 0.424 192 R N 0.787 121.086 120.500 -0.334 0.000 2.105 192 R HA -0.050 4.301 4.340 0.018 0.000 0.239 192 R C 1.728 177.852 176.300 -0.294 0.000 1.135 192 R CA 0.945 56.886 56.100 -0.266 0.000 0.967 192 R CB -0.173 29.968 30.300 -0.266 0.000 0.861 192 R HN -0.019 8.251 8.270 -0.000 0.000 0.442 193 V N 0.540 120.121 119.914 -0.556 0.000 2.343 193 V HA -0.266 3.865 4.120 0.018 0.000 0.247 193 V C 2.224 178.095 176.094 -0.372 0.000 1.051 193 V CA 1.933 63.815 62.300 -0.696 0.000 1.036 193 V CB -0.741 30.194 31.823 -1.481 0.000 0.654 193 V HN 0.478 8.668 8.190 -0.000 0.000 0.451 194 H N -0.362 118.473 119.070 -0.392 0.000 2.352 194 H HA -0.127 4.440 4.556 0.018 0.000 0.299 194 H C 2.402 177.694 175.328 -0.059 0.000 1.097 194 H CA 2.030 57.984 56.048 -0.157 0.000 1.311 194 H CB -0.206 29.468 29.762 -0.145 0.000 1.377 194 H HN 0.322 8.602 8.280 -0.000 0.000 0.504 195 V N -0.019 119.918 119.914 0.038 0.000 2.407 195 V HA -0.250 3.881 4.120 0.018 0.000 0.248 195 V C 2.263 178.391 176.094 0.057 0.000 1.055 195 V CA 1.738 64.053 62.300 0.024 0.000 1.049 195 V CB -0.675 31.135 31.823 -0.022 0.000 0.662 195 V HN 0.476 8.666 8.190 -0.000 0.000 0.455 196 W N 0.373 121.606 121.300 -0.111 0.000 2.363 196 W HA -0.159 4.512 4.660 0.018 0.000 0.296 196 W C 2.236 178.718 176.519 -0.063 0.000 1.212 196 W CA 1.798 59.090 57.345 -0.088 0.000 1.260 196 W CB -0.092 29.308 29.460 -0.101 0.000 1.131 196 W HN 0.045 8.225 8.180 -0.000 0.000 0.530 197 V N 1.103 121.165 119.914 0.247 0.000 2.453 197 V HA 0.036 4.168 4.120 0.018 0.000 0.247 197 V C 1.700 177.738 176.094 -0.094 0.000 1.048 197 V CA 1.514 63.855 62.300 0.068 0.000 1.049 197 V CB -1.573 30.403 31.823 0.255 0.000 0.672 197 V HN 0.506 8.696 8.190 -0.000 0.000 0.457 198 G N -0.846 107.939 108.800 -0.025 0.000 2.645 198 G HA2 0.224 4.195 3.960 0.018 0.000 0.239 198 G HA3 0.224 4.195 3.960 0.018 0.000 0.239 198 G C 0.619 175.523 174.900 0.008 0.000 1.331 198 G CA -0.346 44.731 45.100 -0.039 0.000 0.890 198 G HN 1.711 10.001 8.290 -0.000 0.000 0.572 199 G N -1.853 106.944 108.800 -0.004 0.000 2.574 199 G HA2 -0.106 3.866 3.960 0.018 0.000 0.282 199 G HA3 -0.106 3.866 3.960 0.018 0.000 0.282 199 G C 0.926 175.859 174.900 0.056 0.000 1.257 199 G CA 1.561 46.675 45.100 0.023 0.000 0.956 199 G HN 1.756 10.046 8.290 -0.000 0.000 0.560 200 Q N -0.924 118.925 119.800 0.083 0.000 2.226 200 Q HA 0.138 4.489 4.340 0.018 0.000 0.204 200 Q C 2.824 178.921 176.000 0.161 0.000 0.975 200 Q CA 1.792 57.659 55.803 0.107 0.000 0.866 200 Q CB -0.137 28.678 28.738 0.128 0.000 0.915 200 Q HN 0.484 8.754 8.270 -0.000 0.000 0.440 201 M N -0.666 119.051 119.600 0.196 0.000 2.358 201 M HA -0.033 4.458 4.480 0.018 0.000 0.264 201 M C 1.357 177.848 176.300 0.319 0.000 1.064 201 M CA 1.046 56.530 55.300 0.306 0.000 1.093 201 M CB -0.670 32.091 32.600 0.270 0.000 1.401 201 M HN 0.242 8.532 8.290 -0.000 0.000 0.440 202 A N -0.383 122.538 122.820 0.169 0.000 2.275 202 A HA 0.129 4.460 4.320 0.018 0.000 0.212 202 A C 1.144 178.761 177.584 0.056 0.000 1.201 202 A CA 0.595 52.695 52.037 0.104 0.000 0.843 202 A CB -0.513 18.517 19.000 0.051 0.000 0.873 202 A HN 0.488 8.638 8.150 -0.000 0.000 0.492 203 T N -5.603 108.999 114.554 0.079 0.000 2.919 203 T HA 0.528 4.889 4.350 0.018 0.000 0.282 203 T C 1.233 175.971 174.700 0.063 0.000 1.020 203 T CA 0.152 62.282 62.100 0.051 0.000 0.994 203 T CB 1.265 70.162 68.868 0.049 0.000 1.180 203 T HN 0.237 8.477 8.240 -0.000 0.000 0.566 204 G N -0.345 108.482 108.800 0.045 0.000 2.598 204 G HA2 0.099 4.070 3.960 0.018 0.000 0.215 204 G HA3 0.099 4.070 3.960 0.018 0.000 0.215 204 G C 0.911 175.890 174.900 0.131 0.000 1.131 204 G CA 0.690 45.826 45.100 0.061 0.000 0.785 204 G HN 1.238 9.528 8.290 -0.000 0.000 0.539 205 V N -0.230 119.748 119.914 0.108 0.000 2.955 205 V HA 0.305 4.436 4.120 0.018 0.000 0.379 205 V C 1.677 177.826 176.094 0.093 0.000 1.288 205 V CA 0.295 62.660 62.300 0.108 0.000 1.358 205 V CB -0.282 31.589 31.823 0.080 0.000 1.406 205 V HN 0.240 8.430 8.190 -0.000 0.000 0.569 206 S N 0.896 116.666 115.700 0.117 0.000 2.423 206 S HA 0.018 4.499 4.470 0.018 0.000 0.231 206 S C -0.474 174.093 174.600 -0.054 0.000 1.014 206 S CA 1.090 59.393 58.200 0.173 0.000 0.965 206 S CB -1.431 62.051 63.200 0.470 0.000 0.785 206 S HN 0.605 8.915 8.310 -0.000 0.000 0.495 207 P HA 0.067 4.487 4.420 -0.000 0.000 0.239 207 P C 0.861 178.183 177.300 0.038 0.000 1.184 207 P CA 0.493 63.124 63.100 -0.781 0.000 0.760 207 P CB -0.273 30.793 31.700 -1.057 0.000 0.884 208 N N -0.386 118.416 118.700 0.170 0.000 2.272 208 N HA -0.122 4.629 4.740 0.018 0.000 0.185 208 N C 0.535 176.367 175.510 0.538 0.000 1.014 208 N CA 1.203 54.476 53.050 0.372 0.000 0.870 208 N CB -0.496 38.132 38.487 0.234 0.000 0.975 208 N HN 0.210 8.590 8.380 -0.000 0.000 0.433 209 D N 0.172 120.792 120.400 0.366 0.000 2.280 209 D HA 0.142 4.793 4.640 0.018 0.000 0.243 209 D C -1.787 174.661 176.300 0.247 0.000 1.129 209 D CA -2.171 52.001 54.000 0.287 0.000 0.848 209 D CB 1.702 42.645 40.800 0.239 0.000 1.107 209 D HN -0.033 8.337 8.370 -0.000 0.000 0.471 210 P HA -0.131 4.289 4.420 -0.000 0.000 0.223 210 P C 1.465 178.919 177.300 0.256 0.000 1.144 210 P CA 0.280 63.487 63.100 0.180 0.000 0.783 210 P CB 0.356 31.787 31.700 -0.449 0.000 0.771 211 V N -1.094 118.884 119.914 0.107 0.000 2.913 211 V HA -0.207 3.924 4.120 0.018 0.000 0.260 211 V C 1.944 178.184 176.094 0.243 0.000 1.098 211 V CA 1.117 63.474 62.300 0.095 0.000 1.121 211 V CB -1.367 30.470 31.823 0.025 0.000 0.714 211 V HN -0.025 8.165 8.190 -0.000 0.000 0.487 212 F N 0.283 120.258 119.950 0.043 0.000 2.087 212 F HA -0.263 4.273 4.527 0.015 0.000 0.299 212 F C 1.699 177.489 175.800 -0.017 0.000 1.100 212 F CA 2.521 60.483 58.000 -0.064 0.000 1.226 212 F CB -0.394 38.344 39.000 -0.437 0.000 0.983 212 F HN 0.337 8.637 8.300 -0.000 0.000 0.479 213 W N -0.253 121.245 121.300 0.330 0.000 2.418 213 W HA -0.065 4.612 4.660 0.029 0.000 0.292 213 W C 1.994 178.643 176.519 0.216 0.000 1.213 213 W CA 0.225 57.702 57.345 0.220 0.000 1.283 213 W CB -0.823 28.775 29.460 0.230 0.000 1.119 213 W HN -0.006 8.174 8.180 -0.000 0.000 0.542 214 L N -0.480 120.994 121.223 0.418 0.000 2.109 214 L HA -0.172 4.179 4.340 0.018 0.000 0.207 214 L C 2.432 179.572 176.870 0.451 0.000 1.086 214 L CA 1.855 56.906 54.840 0.352 0.000 0.760 214 L CB -1.612 40.561 42.059 0.189 0.000 0.910 214 L HN 0.085 8.315 8.230 -0.000 0.000 0.437 215 H N -0.929 118.346 119.070 0.343 0.000 2.293 215 H HA -0.162 4.405 4.556 0.019 0.000 0.300 215 H C 2.261 177.683 175.328 0.157 0.000 1.082 215 H CA 2.011 58.257 56.048 0.331 0.000 1.308 215 H CB -0.185 29.660 29.762 0.139 0.000 1.375 215 H HN 0.344 8.624 8.280 -0.000 0.000 0.495 216 H N -0.503 118.467 119.070 -0.167 0.000 2.457 216 H HA 0.037 4.604 4.556 0.018 0.000 0.294 216 H C 2.115 177.457 175.328 0.025 0.000 1.064 216 H CA 0.982 56.888 56.048 -0.237 0.000 1.330 216 H CB -0.172 29.394 29.762 -0.327 0.000 1.395 216 H HN 0.550 8.830 8.280 -0.000 0.000 0.541 217 A N 0.383 123.360 122.820 0.261 0.000 2.015 217 A HA -0.198 4.133 4.320 0.018 0.000 0.219 217 A C 2.121 179.848 177.584 0.239 0.000 1.163 217 A CA 1.036 53.248 52.037 0.290 0.000 0.646 217 A CB -0.637 18.575 19.000 0.353 0.000 0.806 217 A HN 0.428 8.578 8.150 -0.000 0.000 0.448 218 Y N 0.215 120.551 120.300 0.061 0.000 2.286 218 Y HA -0.045 4.515 4.550 0.017 0.000 0.293 218 Y C 2.269 178.061 175.900 -0.181 0.000 1.124 218 Y CA 1.239 59.237 58.100 -0.170 0.000 1.178 218 Y CB -0.306 37.979 38.460 -0.292 0.000 1.010 218 Y HN 0.047 8.327 8.280 -0.000 0.000 0.536 219 V N 0.635 120.452 119.914 -0.162 0.000 2.332 219 V HA -0.333 3.798 4.120 0.018 0.000 0.248 219 V C 2.045 178.088 176.094 -0.086 0.000 1.055 219 V CA 2.415 64.610 62.300 -0.174 0.000 1.038 219 V CB -0.757 30.919 31.823 -0.243 0.000 0.651 219 V HN 0.420 8.610 8.190 -0.000 0.000 0.450 220 D N -0.343 120.079 120.400 0.036 0.000 2.144 220 D HA -0.206 4.445 4.640 0.018 0.000 0.200 220 D C 2.245 178.629 176.300 0.140 0.000 0.978 220 D CA 1.294 55.438 54.000 0.241 0.000 0.833 220 D CB -0.137 40.860 40.800 0.329 0.000 0.961 220 D HN 0.334 8.704 8.370 -0.000 0.000 0.470 221 K N -0.199 120.095 120.400 -0.177 0.000 2.057 221 K HA -0.098 4.233 4.320 0.018 0.000 0.207 221 K C 2.160 178.477 176.600 -0.472 0.000 1.049 221 K CA 0.798 56.672 56.287 -0.690 0.000 0.931 221 K CB -0.091 31.716 32.500 -1.154 0.000 0.714 221 K HN 0.234 8.484 8.250 -0.000 0.000 0.440 222 L N -0.355 120.621 121.223 -0.411 0.000 2.083 222 L HA -0.191 4.160 4.340 0.018 0.000 0.209 222 L C 2.335 179.370 176.870 0.275 0.000 1.083 222 L CA 0.852 55.592 54.840 -0.167 0.000 0.752 222 L CB -0.499 41.435 42.059 -0.208 0.000 0.899 222 L HN 0.434 8.664 8.230 -0.000 0.000 0.433 223 W N 1.239 122.626 121.300 0.145 0.000 2.358 223 W HA -0.208 4.463 4.660 0.018 0.000 0.303 223 W C 2.512 179.211 176.519 0.301 0.000 1.208 223 W CA 1.435 58.994 57.345 0.357 0.000 1.274 223 W CB -0.501 29.149 29.460 0.316 0.000 1.138 223 W HN 0.116 8.296 8.180 -0.000 0.000 0.515 224 A N 0.207 123.100 122.820 0.121 0.000 1.940 224 A HA -0.234 4.097 4.320 0.018 0.000 0.219 224 A C 1.891 179.492 177.584 0.028 0.000 1.176 224 A CA 1.970 53.989 52.037 -0.030 0.000 0.631 224 A CB -0.784 18.103 19.000 -0.189 0.000 0.814 224 A HN 0.484 8.634 8.150 -0.000 0.000 0.446 225 E N -1.794 118.406 120.200 0.000 0.000 2.106 225 E HA -0.213 4.148 4.350 0.018 0.000 0.192 225 E C 1.731 178.377 176.600 0.078 0.000 0.984 225 E CA 1.129 57.530 56.400 0.001 0.000 0.806 225 E CB -0.242 29.430 29.700 -0.047 0.000 0.750 225 E HN 0.873 9.233 8.360 -0.000 0.000 0.458 226 W N 2.163 123.450 121.300 -0.022 0.000 2.338 226 W HA -0.230 4.439 4.660 0.016 0.000 0.304 226 W C 1.977 178.506 176.519 0.017 0.000 1.212 226 W CA 1.699 58.991 57.345 -0.088 0.000 1.264 226 W CB -0.010 29.122 29.460 -0.546 0.000 1.142 226 W HN 0.002 8.182 8.180 -0.000 0.000 0.512 227 Q N -0.188 119.708 119.800 0.159 0.000 2.124 227 Q HA -0.207 4.144 4.340 0.018 0.000 0.202 227 Q C 2.252 178.132 176.000 -0.201 0.000 0.977 227 Q CA 1.397 57.159 55.803 -0.069 0.000 0.850 227 Q CB -0.344 28.425 28.738 0.052 0.000 0.901 227 Q HN 0.205 8.475 8.270 -0.000 0.000 0.429 228 R N 0.575 121.013 120.500 -0.103 0.000 2.115 228 R HA -0.031 4.320 4.340 0.018 0.000 0.230 228 R C 2.017 178.253 176.300 -0.106 0.000 1.111 228 R CA 1.052 57.119 56.100 -0.056 0.000 0.976 228 R CB -0.226 30.096 30.300 0.036 0.000 0.870 228 R HN 0.278 8.548 8.270 -0.000 0.000 0.445 229 R N -0.386 119.945 120.500 -0.282 0.000 2.153 229 R HA 0.006 4.358 4.340 0.018 0.000 0.218 229 R C 0.338 176.104 176.300 -0.891 0.000 1.072 229 R CA 0.796 56.590 56.100 -0.511 0.000 0.990 229 R CB 0.108 29.986 30.300 -0.704 0.000 0.889 229 R HN 0.312 8.582 8.270 -0.000 0.000 0.452 230 H N 0.021 118.758 119.070 -0.555 0.000 2.336 230 H HA 0.178 4.745 4.556 0.018 0.000 0.230 230 H C -1.954 173.038 175.328 -0.559 0.000 1.426 230 H CA -1.861 53.811 56.048 -0.627 0.000 1.359 230 H CB 1.095 30.238 29.762 -1.031 0.000 1.555 230 H HN 0.079 8.359 8.280 -0.000 0.000 0.512 231 P HA -0.127 4.293 4.420 -0.000 0.000 0.225 231 P C 0.935 178.104 177.300 -0.217 0.000 1.148 231 P CA 1.019 63.907 63.100 -0.353 0.000 0.779 231 P CB 0.367 31.766 31.700 -0.501 0.000 0.780 232 D N -1.757 118.534 120.400 -0.182 0.000 2.349 232 D HA 0.038 4.689 4.640 0.018 0.000 0.215 232 D C 0.365 176.651 176.300 -0.022 0.000 1.016 232 D CA 0.112 54.061 54.000 -0.085 0.000 0.870 232 D CB -0.150 40.613 40.800 -0.062 0.000 0.917 232 D HN -0.032 8.338 8.370 -0.000 0.000 0.524 233 S N -0.591 115.090 115.700 -0.032 0.000 2.509 233 S HA 0.725 5.206 4.470 0.018 0.000 0.297 233 S C -0.571 174.169 174.600 0.233 0.000 1.118 233 S CA -0.444 57.817 58.200 0.103 0.000 1.074 233 S CB 1.661 64.919 63.200 0.096 0.000 1.038 233 S HN 0.483 8.793 8.310 -0.000 0.000 0.498 234 A N 2.087 125.103 122.820 0.327 0.000 2.583 234 A HA 0.651 4.982 4.320 0.018 0.000 0.289 234 A C -1.419 176.304 177.584 0.231 0.000 1.151 234 A CA -0.741 51.483 52.037 0.311 0.000 0.695 234 A CB 0.283 19.394 19.000 0.185 0.000 1.290 234 A HN 0.802 8.952 8.150 -0.000 0.000 0.419 235 Y N 0.831 121.082 120.300 -0.083 0.000 2.904 235 Y HA 0.280 4.843 4.550 0.021 0.000 0.336 235 Y C 0.290 176.142 175.900 -0.080 0.000 1.263 235 Y CA 1.654 59.514 58.100 -0.399 0.000 1.547 235 Y CB 0.384 38.675 38.460 -0.282 0.000 1.272 235 Y HN 0.882 9.162 8.280 -0.000 0.000 0.596 236 V N 5.100 124.804 119.914 -0.349 0.000 3.007 236 V HA 0.710 4.841 4.120 0.018 0.000 0.311 236 V C -2.805 172.970 176.094 -0.531 0.000 1.120 236 V CA -2.593 59.619 62.300 -0.147 0.000 0.980 236 V CB 1.802 33.694 31.823 0.115 0.000 1.033 236 V HN 0.673 8.863 8.190 -0.000 0.000 0.429 237 P HA 0.325 4.745 4.420 -0.000 0.000 0.276 237 P C 0.014 177.333 177.300 0.031 0.000 1.261 237 P CA 0.037 63.016 63.100 -0.203 0.000 0.800 237 P CB 1.054 32.565 31.700 -0.314 0.000 1.066 238 T N -3.170 111.427 114.554 0.072 0.000 3.393 238 T HA 0.611 4.972 4.350 0.018 0.000 0.255 238 T C 0.205 174.951 174.700 0.076 0.000 1.008 238 T CA -0.390 61.770 62.100 0.100 0.000 1.053 238 T CB -1.171 67.759 68.868 0.102 0.000 1.120 238 T HN 0.818 9.058 8.240 -0.000 0.000 0.538 239 G N -0.679 108.160 108.800 0.065 0.000 2.521 239 G HA2 0.469 4.440 3.960 0.018 0.000 0.589 239 G HA3 0.469 4.440 3.960 0.018 0.000 0.589 239 G C 0.353 175.286 174.900 0.054 0.000 1.501 239 G CA -0.186 44.949 45.100 0.057 0.000 0.887 239 G HN 1.513 9.803 8.290 -0.000 0.000 0.654 240 G N 0.169 108.999 108.800 0.050 0.000 2.246 240 G HA2 0.099 4.071 3.960 0.018 0.000 0.273 240 G HA3 0.099 4.071 3.960 0.018 0.000 0.273 240 G C 0.295 175.226 174.900 0.052 0.000 1.055 240 G CA 0.980 46.108 45.100 0.048 0.000 0.851 240 G HN 1.708 9.998 8.290 -0.000 0.000 0.500 241 T N 1.849 116.433 114.554 0.050 0.000 2.770 241 T HA 0.514 4.875 4.350 0.018 0.000 0.297 241 T C -2.044 172.689 174.700 0.054 0.000 0.997 241 T CA -0.936 61.200 62.100 0.059 0.000 0.949 241 T CB 2.036 70.928 68.868 0.039 0.000 0.941 241 T HN 0.125 8.365 8.240 -0.000 0.000 0.457 242 P HA 0.162 4.582 4.420 -0.000 0.000 0.266 242 P C 0.355 177.682 177.300 0.044 0.000 1.195 242 P CA 0.254 63.380 63.100 0.043 0.000 0.768 242 P CB 0.326 32.047 31.700 0.035 0.000 0.838 243 D N -1.060 119.362 120.400 0.037 0.000 2.978 243 D HA -0.131 4.520 4.640 0.018 0.000 0.205 243 D C -0.316 176.010 176.300 0.043 0.000 1.093 243 D CA 0.983 55.002 54.000 0.032 0.000 1.006 243 D CB -1.254 39.558 40.800 0.021 0.000 1.116 243 D HN 0.140 8.510 8.370 -0.000 0.000 0.419 244 V N 0.930 120.873 119.914 0.049 0.000 2.555 244 V HA 0.388 4.519 4.120 0.018 0.000 0.302 244 V C 0.625 176.755 176.094 0.061 0.000 1.038 244 V CA -0.943 61.384 62.300 0.045 0.000 0.887 244 V CB 2.412 34.240 31.823 0.008 0.000 0.991 244 V HN -0.100 8.090 8.190 -0.000 0.000 0.434 245 V N 4.376 124.352 119.914 0.103 0.000 2.415 245 V HA 0.119 4.250 4.120 0.018 0.000 0.267 245 V C 0.484 176.683 176.094 0.176 0.000 1.042 245 V CA -0.146 62.238 62.300 0.140 0.000 1.000 245 V CB -0.104 31.829 31.823 0.182 0.000 1.015 245 V HN 0.822 9.012 8.190 -0.000 0.000 0.478 246 D N 2.870 123.346 120.400 0.126 0.000 2.360 246 D HA 0.075 4.726 4.640 0.018 0.000 0.242 246 D C 1.191 177.585 176.300 0.157 0.000 1.184 246 D CA -0.496 53.597 54.000 0.154 0.000 0.930 246 D CB 1.613 42.464 40.800 0.085 0.000 1.161 246 D HN 0.394 8.764 8.370 -0.000 0.000 0.447 247 L N 1.997 123.334 121.223 0.191 0.000 2.034 247 L HA -0.248 4.103 4.340 0.018 0.000 0.217 247 L C 1.135 177.969 176.870 -0.060 0.000 1.077 247 L CA 1.954 56.796 54.840 0.003 0.000 0.769 247 L CB -0.406 41.725 42.059 0.120 0.000 0.890 247 L HN 0.319 8.549 8.230 -0.000 0.000 0.435 248 N N -0.238 118.467 118.700 0.008 0.000 2.238 248 N HA 0.086 4.837 4.740 0.018 0.000 0.222 248 N C -0.219 175.305 175.510 0.024 0.000 1.133 248 N CA 0.033 53.087 53.050 0.007 0.000 0.854 248 N CB 0.131 38.630 38.487 0.020 0.000 1.041 248 N HN 0.585 8.965 8.380 -0.000 0.000 0.510 249 E N 0.879 121.100 120.200 0.035 0.000 2.277 249 E HA 0.171 4.532 4.350 0.018 0.000 0.274 249 E C -0.070 176.571 176.600 0.069 0.000 1.022 249 E CA -0.475 55.959 56.400 0.056 0.000 0.853 249 E CB 1.033 30.776 29.700 0.071 0.000 1.086 249 E HN 0.149 8.509 8.360 -0.000 0.000 0.397 250 T N 1.170 115.776 114.554 0.086 0.000 2.882 250 T HA 0.393 4.755 4.350 0.018 0.000 0.287 250 T C 0.313 175.114 174.700 0.168 0.000 1.014 250 T CA -0.586 61.585 62.100 0.118 0.000 1.049 250 T CB 0.744 69.683 68.868 0.119 0.000 1.001 250 T HN 0.418 8.658 8.240 -0.000 0.000 0.525 251 M N 1.758 121.505 119.600 0.245 0.000 2.311 251 M HA 0.369 4.860 4.480 0.018 0.000 0.325 251 M C -0.027 176.506 176.300 0.389 0.000 1.061 251 M CA -0.819 54.689 55.300 0.348 0.000 0.957 251 M CB 2.136 35.031 32.600 0.491 0.000 1.646 251 M HN 0.625 8.915 8.290 -0.000 0.000 0.434 252 K N 3.373 123.956 120.400 0.306 0.000 2.202 252 K HA 0.223 4.555 4.320 0.018 0.000 0.264 252 K C -1.765 174.827 176.600 -0.013 0.000 1.010 252 K CA -1.404 55.015 56.287 0.219 0.000 0.940 252 K CB 0.534 33.226 32.500 0.321 0.000 0.983 252 K HN 0.356 8.606 8.250 -0.000 0.000 0.475 253 P HA -0.084 4.336 4.420 -0.000 0.000 0.240 253 P C 0.502 177.635 177.300 -0.278 0.000 1.190 253 P CA 0.776 63.726 63.100 -0.250 0.000 0.781 253 P CB 0.177 31.700 31.700 -0.294 0.000 0.931 254 W N 1.317 122.670 121.300 0.087 0.000 2.358 254 W HA -0.076 4.601 4.660 0.029 0.000 0.303 254 W C 0.988 177.543 176.519 0.060 0.000 1.208 254 W CA 0.511 57.886 57.345 0.050 0.000 1.274 254 W CB -1.828 27.637 29.460 0.008 0.000 1.138 254 W HN 0.150 8.330 8.180 -0.000 0.000 0.515 255 N N -1.153 117.736 118.700 0.315 0.000 2.951 255 N HA -0.196 4.555 4.740 0.018 0.000 0.218 255 N C 0.835 176.455 175.510 0.182 0.000 0.858 255 N CA 2.508 55.682 53.050 0.207 0.000 1.050 255 N CB -1.964 36.606 38.487 0.139 0.000 1.012 255 N HN 0.368 8.748 8.380 -0.000 0.000 0.611 256 T N -2.798 111.879 114.554 0.204 0.000 3.134 256 T HA 0.543 4.904 4.350 0.018 0.000 0.260 256 T C 0.293 175.048 174.700 0.091 0.000 1.027 256 T CA 0.004 62.181 62.100 0.129 0.000 0.913 256 T CB 0.788 69.727 68.868 0.118 0.000 1.046 256 T HN 0.123 8.363 8.240 -0.000 0.000 0.553 257 V N 0.909 120.884 119.914 0.102 0.000 2.971 257 V HA 0.683 4.814 4.120 0.018 0.000 0.309 257 V C -1.569 174.555 176.094 0.049 0.000 1.130 257 V CA -1.223 61.091 62.300 0.024 0.000 0.964 257 V CB 2.387 34.147 31.823 -0.105 0.000 1.029 257 V HN 0.442 8.632 8.190 -0.000 0.000 0.427 258 R N 4.728 125.236 120.500 0.014 0.000 2.828 258 R HA 0.520 4.871 4.340 0.018 0.000 0.264 258 R C -2.106 174.163 176.300 -0.051 0.000 1.022 258 R CA -1.811 54.290 56.100 0.002 0.000 1.021 258 R CB 1.151 31.447 30.300 -0.008 0.000 1.163 258 R HN 0.392 8.662 8.270 -0.000 0.000 0.494 259 P HA -0.239 4.181 4.420 -0.000 0.000 0.216 259 P C 0.933 178.122 177.300 -0.184 0.000 1.153 259 P CA 1.723 64.662 63.100 -0.268 0.000 0.858 259 P CB 0.078 31.270 31.700 -0.847 0.000 0.789 260 A N -0.012 122.712 122.820 -0.160 0.000 1.986 260 A HA -0.228 4.103 4.320 0.018 0.000 0.220 260 A C 1.846 179.412 177.584 -0.029 0.000 1.171 260 A CA 1.979 53.970 52.037 -0.077 0.000 0.640 260 A CB -1.316 17.655 19.000 -0.048 0.000 0.811 260 A HN 0.158 8.308 8.150 -0.000 0.000 0.451 261 D N -0.846 119.545 120.400 -0.015 0.000 2.363 261 D HA 0.059 4.710 4.640 0.018 0.000 0.220 261 D C 1.136 177.486 176.300 0.083 0.000 0.994 261 D CA 0.669 54.681 54.000 0.020 0.000 0.890 261 D CB 0.150 40.964 40.800 0.022 0.000 0.906 261 D HN 0.468 8.838 8.370 -0.000 0.000 0.530 262 L N 0.034 121.299 121.223 0.070 0.000 2.858 262 L HA 0.186 4.537 4.340 0.018 0.000 0.251 262 L C 2.000 178.923 176.870 0.089 0.000 1.149 262 L CA 0.013 54.927 54.840 0.123 0.000 0.955 262 L CB 0.504 42.622 42.059 0.098 0.000 1.289 262 L HN -0.125 8.105 8.230 -0.000 0.000 0.542 263 L N -0.608 120.634 121.223 0.030 0.000 2.093 263 L HA -0.073 4.278 4.340 0.018 0.000 0.208 263 L C 0.719 177.454 176.870 -0.226 0.000 1.085 263 L CA 0.882 55.663 54.840 -0.099 0.000 0.755 263 L CB -0.246 41.813 42.059 -0.001 0.000 0.904 263 L HN 0.224 8.454 8.230 -0.000 0.000 0.435 264 D N -0.084 120.239 120.400 -0.129 0.000 2.428 264 D HA 0.007 4.659 4.640 0.018 0.000 0.221 264 D C 1.424 177.602 176.300 -0.203 0.000 1.123 264 D CA -0.301 53.583 54.000 -0.194 0.000 0.869 264 D CB 0.583 41.265 40.800 -0.197 0.000 1.032 264 D HN 0.224 8.594 8.370 -0.000 0.000 0.506 265 H N 1.721 120.655 119.070 -0.227 0.000 2.491 265 H HA -0.106 4.459 4.556 0.015 0.000 0.290 265 H C 1.114 176.180 175.328 -0.437 0.000 1.050 265 H CA 1.467 57.305 56.048 -0.350 0.000 1.309 265 H CB -0.619 28.873 29.762 -0.450 0.000 1.392 265 H HN 0.388 8.668 8.280 -0.000 0.000 0.554 266 T N -1.880 112.189 114.554 -0.808 0.000 3.072 266 T HA 0.207 4.569 4.350 0.018 0.000 0.266 266 T C 2.167 176.630 174.700 -0.396 0.000 1.127 266 T CA 0.606 62.362 62.100 -0.575 0.000 1.107 266 T CB -0.352 68.234 68.868 -0.472 0.000 0.910 266 T HN 0.463 8.703 8.240 -0.000 0.000 0.513 267 A N 0.227 122.768 122.820 -0.465 0.000 2.067 267 A HA 0.123 4.454 4.320 0.018 0.000 0.219 267 A C 1.670 178.858 177.584 -0.661 0.000 1.158 267 A CA 0.830 52.513 52.037 -0.591 0.000 0.661 267 A CB -0.637 17.876 19.000 -0.811 0.000 0.801 267 A HN 0.719 8.869 8.150 -0.000 0.000 0.452 268 Y N -2.902 117.251 120.300 -0.245 0.000 2.589 268 Y HA 0.337 4.881 4.550 -0.010 0.000 0.271 268 Y C 0.277 176.188 175.900 0.018 0.000 1.107 268 Y CA -0.186 57.852 58.100 -0.104 0.000 1.273 268 Y CB 0.427 38.869 38.460 -0.030 0.000 1.266 268 Y HN 0.429 8.709 8.280 -0.000 0.000 0.504 269 Y N -2.395 117.955 120.300 0.083 0.000 2.702 269 Y HA 0.632 5.181 4.550 -0.002 0.000 0.336 269 Y C -0.658 175.213 175.900 -0.049 0.000 1.203 269 Y CA -1.800 56.289 58.100 -0.019 0.000 1.072 269 Y CB 0.619 39.038 38.460 -0.070 0.000 1.327 269 Y HN -0.111 8.169 8.280 -0.000 0.000 0.456 270 T N -1.478 113.116 114.554 0.067 0.000 2.883 270 T HA 0.781 5.142 4.350 0.018 0.000 0.284 270 T C -1.161 173.450 174.700 -0.148 0.000 1.041 270 T CA -0.786 61.324 62.100 0.016 0.000 1.007 270 T CB 1.784 70.692 68.868 0.065 0.000 1.220 270 T HN 0.499 8.739 8.240 -0.000 0.000 0.552 271 F N 1.084 121.166 119.950 0.221 0.000 2.483 271 F HA 0.337 4.885 4.527 0.034 0.000 0.329 271 F C 1.590 177.482 175.800 0.154 0.000 1.064 271 F CA -0.856 57.253 58.000 0.182 0.000 0.986 271 F CB 1.356 40.403 39.000 0.079 0.000 1.218 271 F HN 0.757 9.057 8.300 -0.000 0.000 0.484 272 D N 0.811 121.442 120.400 0.385 0.000 2.149 272 D HA -0.036 4.615 4.640 0.018 0.000 0.198 272 D C 0.192 176.607 176.300 0.191 0.000 0.990 272 D CA 1.259 55.398 54.000 0.232 0.000 0.839 272 D CB -0.196 40.723 40.800 0.198 0.000 0.948 272 D HN 0.425 8.795 8.370 -0.000 0.000 0.460 273 A N -0.858 122.099 122.820 0.227 0.000 2.517 273 A HA 0.639 4.970 4.320 0.018 0.000 0.297 273 A C -1.904 175.733 177.584 0.089 0.000 1.050 273 A CA -0.763 51.350 52.037 0.127 0.000 0.694 273 A CB 1.509 20.561 19.000 0.086 0.000 1.277 273 A HN 0.167 8.317 8.150 -0.000 0.000 0.400 274 L N 1.554 122.799 121.223 0.037 0.000 2.661 274 L HA 0.380 4.731 4.340 0.018 0.000 0.263 274 L C -0.358 176.475 176.870 -0.062 0.000 0.956 274 L CA 0.023 54.853 54.840 -0.016 0.000 0.918 274 L CB 1.644 43.748 42.059 0.075 0.000 1.280 274 L HN 0.831 9.061 8.230 -0.000 0.000 0.416 275 E N 2.714 122.880 120.200 -0.056 0.000 2.436 275 E HA 0.057 4.418 4.350 0.018 0.000 0.262 275 E C -0.589 175.993 176.600 -0.030 0.000 1.063 275 E CA 0.004 56.374 56.400 -0.050 0.000 0.944 275 E CB 0.457 30.154 29.700 -0.004 0.000 0.950 275 E HN 0.449 8.809 8.360 -0.000 0.000 0.444 276 H N 0.593 119.682 119.070 0.030 0.000 2.505 276 H HA 0.055 4.622 4.556 0.018 0.000 0.351 276 H C -0.129 175.231 175.328 0.054 0.000 1.151 276 H CA -0.445 55.628 56.048 0.042 0.000 1.339 276 H CB 0.523 30.303 29.762 0.031 0.000 1.483 276 H HN 0.473 8.753 8.280 -0.000 0.000 0.558 277 H N 1.693 120.839 119.070 0.126 0.000 3.167 277 H HA 0.036 4.603 4.556 0.018 0.000 0.306 277 H C -0.332 175.038 175.328 0.070 0.000 0.965 277 H CA 0.922 56.979 56.048 0.015 0.000 1.408 277 H CB -0.128 29.601 29.762 -0.055 0.000 1.406 277 H HN 0.679 8.959 8.280 -0.000 0.000 0.576 278 H N 0.000 118.746 119.070 -0.540 0.000 2.539 278 H HA 0.000 4.567 4.556 0.018 0.000 0.296 278 H CA 0.000 55.768 56.048 -0.467 0.000 1.023 278 H CB 0.000 29.641 29.762 -0.202 0.000 1.292 278 H HN 0.000 8.280 8.280 -0.000 0.000 0.496