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 1zwm_12_A DATA FIRST_RESID 1 DATA SEQUENCE SKTGGKISFY EDRNFQGRRY DCDCDCADFR SYLSRCNSIR VEGGTWAVYE DATA SEQUENCE RPNFSGHMYI LPQGEYPEYQ RWMGLNDRLG SCRAVHLSSG GQAKIQVFEK DATA SEQUENCE GDFNGQMYET TEDCPSIMEQ FHLREIHSCK VVEGTWIFYE LPNYRGRQYL DATA SEQUENCE LDKKEYRKPV DWGAASPAIQ SFRRIVE 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 1 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1 S C 0.000 174.599 174.600 -0.001 0.000 1.055 1 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 1 S CB 0.000 63.200 63.200 0.000 0.000 0.593 2 K N 2.402 122.803 120.400 0.001 0.000 2.619 2 K HA 0.305 4.624 4.320 -0.002 0.000 0.251 2 K C -0.773 175.831 176.600 0.007 0.000 0.987 2 K CA 0.327 56.615 56.287 0.000 0.000 0.844 2 K CB 1.182 33.680 32.500 -0.003 0.000 1.237 2 K HN -0.338 7.914 8.250 0.003 0.000 0.447 3 T N 0.497 115.056 114.554 0.009 0.000 3.753 3 T HA 0.164 4.525 4.350 0.017 0.000 0.299 3 T C 0.320 175.039 174.700 0.032 0.000 1.202 3 T CA -0.616 61.495 62.100 0.018 0.000 0.945 3 T CB 1.096 69.973 68.868 0.016 0.000 2.279 3 T HN 0.057 8.301 8.240 0.006 0.000 0.509 4 G N -0.725 108.105 108.800 0.049 0.000 2.320 4 G HA2 0.043 4.044 3.960 0.067 0.000 0.296 4 G HA3 0.043 4.064 3.960 0.101 0.000 0.296 4 G C -1.359 173.623 174.900 0.136 0.000 1.306 4 G CA -0.393 44.759 45.100 0.086 0.000 0.836 4 G HN -0.336 7.980 8.290 0.043 0.000 0.517 5 G N -2.046 106.901 108.800 0.246 0.000 2.537 5 G HA2 0.144 4.256 3.960 0.253 0.000 0.273 5 G HA3 0.144 4.470 3.960 0.610 0.000 0.273 5 G C -1.993 173.093 174.900 0.310 0.000 1.189 5 G CA -0.357 44.972 45.100 0.382 0.000 0.881 5 G HN 0.267 8.708 8.290 0.252 0.000 0.535 6 K N 0.805 121.266 120.400 0.102 0.000 2.535 6 K HA 0.800 5.201 4.320 -0.220 -0.213 0.251 6 K C -2.285 174.069 176.600 -0.410 0.000 0.942 6 K CA -0.763 55.420 56.287 -0.173 0.000 0.798 6 K CB 4.043 36.473 32.500 -0.117 0.000 1.267 6 K HN -0.327 8.008 8.250 0.141 0.000 0.434 7 I N 5.553 125.726 120.570 -0.663 0.000 2.545 7 I HA 0.767 4.713 4.170 -0.631 -0.155 0.292 7 I C -3.073 172.572 176.117 -0.787 0.000 1.040 7 I CA -2.287 58.523 61.300 -0.816 0.000 1.068 7 I CB 4.021 41.301 38.000 -1.201 0.000 1.251 7 I HN 0.397 8.227 8.210 -0.633 0.000 0.424 8 S N 6.814 122.047 115.700 -0.780 0.000 2.502 8 S HA 0.921 5.287 4.470 -0.550 -0.226 0.304 8 S C -1.074 172.953 174.600 -0.955 0.000 1.097 8 S CA -2.510 55.265 58.200 -0.708 0.000 1.045 8 S CB 2.094 65.025 63.200 -0.448 0.000 1.019 8 S HN 0.842 8.650 8.310 -0.651 0.111 0.481 9 F N 4.587 124.233 119.950 -0.507 0.000 2.480 9 F HA 0.617 5.209 4.527 -0.117 -0.136 0.329 9 F C -0.700 174.823 175.800 -0.463 0.000 1.091 9 F CA -2.292 55.518 58.000 -0.317 0.000 0.972 9 F CB 2.291 41.199 39.000 -0.155 0.000 1.150 9 F HN 0.400 8.675 8.300 -0.041 0.000 0.467 10 Y N -0.798 119.645 120.300 0.239 0.000 2.409 10 Y HA 0.526 5.381 4.550 0.200 -0.185 0.343 10 Y C 0.764 176.758 175.900 0.156 0.000 0.973 10 Y CA -2.121 56.091 58.100 0.187 0.000 1.064 10 Y CB 1.900 40.453 38.460 0.155 0.000 1.207 10 Y HN 0.402 9.014 8.280 0.554 0.000 0.452 11 E N 0.990 121.348 120.200 0.263 0.000 2.204 11 E HA -0.201 4.406 4.350 0.166 -0.156 0.194 11 E C 0.127 176.815 176.600 0.147 0.000 0.989 11 E CA 2.332 58.837 56.400 0.175 0.000 0.824 11 E CB 0.947 30.723 29.700 0.127 0.000 0.756 11 E HN 0.056 8.566 8.360 0.250 0.000 0.477 12 D N -3.121 117.371 120.400 0.153 0.000 2.392 12 D HA 0.218 4.905 4.640 0.078 0.000 0.246 12 D C -0.730 175.595 176.300 0.042 0.000 1.013 12 D CA -1.798 52.255 54.000 0.088 0.000 0.993 12 D CB 2.451 43.293 40.800 0.068 0.000 1.219 12 D HN -0.621 7.847 8.370 0.202 0.023 0.538 13 R N -0.660 119.838 120.500 -0.004 0.000 2.615 13 R HA -0.146 4.117 4.340 -0.128 0.000 0.270 13 R C 0.365 176.509 176.300 -0.261 0.000 1.081 13 R CA 1.520 57.553 56.100 -0.111 0.000 1.154 13 R CB 0.479 30.750 30.300 -0.047 0.000 1.063 13 R HN 0.218 8.500 8.270 0.020 0.000 0.519 14 N N -1.592 116.772 118.700 -0.560 0.000 2.776 14 N HA -0.321 3.782 4.740 -1.063 0.000 0.249 14 N C -1.127 174.010 175.510 -0.622 0.000 1.111 14 N CA 1.204 53.837 53.050 -0.694 0.000 0.711 14 N CB -1.791 36.569 38.487 -0.212 0.000 1.065 14 N HN 0.438 8.447 8.380 -0.619 0.000 0.556 15 F N -10.646 109.101 119.950 -0.339 0.000 3.074 15 F HA -0.385 3.387 4.527 -1.259 0.000 0.287 15 F C -0.490 175.233 175.800 -0.128 0.000 0.932 15 F CA 1.023 58.633 58.000 -0.651 0.000 0.995 15 F CB -3.089 35.464 39.000 -0.744 0.000 0.966 15 F HN 0.091 7.606 8.300 -1.271 0.022 0.721 16 Q N -1.040 118.800 119.800 0.067 0.000 2.306 16 Q HA 0.245 4.676 4.340 0.151 0.000 0.269 16 Q C 0.264 176.367 176.000 0.172 0.000 1.053 16 Q CA -1.029 54.849 55.803 0.125 0.000 0.879 16 Q CB 3.387 32.161 28.738 0.061 0.000 1.344 16 Q HN -0.619 7.623 8.270 -0.031 0.010 0.464 17 G N -0.755 108.133 108.800 0.147 0.000 2.660 17 G HA2 -0.352 3.672 3.960 0.106 0.000 0.215 17 G HA3 -0.352 3.691 3.960 0.139 0.000 0.215 17 G C -1.709 173.290 174.900 0.165 0.000 1.345 17 G CA -0.406 44.778 45.100 0.139 0.000 0.877 17 G HN 0.048 8.413 8.290 0.125 0.000 0.549 18 R N 0.438 121.023 120.500 0.143 0.000 2.590 18 R HA -0.101 4.317 4.340 0.130 0.000 0.274 18 R C -1.055 175.341 176.300 0.160 0.000 1.061 18 R CA 0.382 56.566 56.100 0.140 0.000 1.081 18 R CB 0.903 31.274 30.300 0.118 0.000 0.984 18 R HN 0.359 8.834 8.270 0.124 -0.131 0.448 19 R N 3.920 124.499 120.500 0.132 0.000 2.740 19 R HA 0.805 5.313 4.340 -0.057 -0.202 0.282 19 R C -1.360 175.001 176.300 0.102 0.000 0.969 19 R CA -1.648 54.466 56.100 0.024 0.000 0.918 19 R CB 2.990 33.278 30.300 -0.019 0.000 1.175 19 R HN 0.044 8.392 8.270 0.130 0.000 0.464 20 Y N 5.485 125.728 120.300 -0.095 0.000 2.406 20 Y HA 0.196 4.716 4.550 -0.048 0.000 0.340 20 Y C -2.638 173.232 175.900 -0.051 0.000 0.975 20 Y CA -1.056 57.025 58.100 -0.032 0.000 1.056 20 Y CB 3.687 42.171 38.460 0.040 0.000 1.210 20 Y HN 0.521 8.781 8.280 -0.032 0.000 0.448 21 D N 7.722 127.699 120.400 -0.706 0.000 2.256 21 D HA 0.667 5.260 4.640 -0.388 -0.187 0.246 21 D C -1.340 174.556 176.300 -0.674 0.000 1.042 21 D CA -0.878 52.803 54.000 -0.532 0.000 0.841 21 D CB 2.196 42.767 40.800 -0.381 0.000 1.223 21 D HN -0.006 7.815 8.370 -0.915 0.000 0.470 22 C N 1.549 120.609 119.300 -0.400 0.000 2.498 22 C HA 0.226 4.499 4.460 -0.312 0.000 0.316 22 C C -1.542 173.309 174.990 -0.233 0.000 1.209 22 C CA -1.612 57.236 59.018 -0.282 0.000 1.518 22 C CB 3.109 30.786 27.740 -0.104 0.000 2.147 22 C HN 0.523 8.538 8.230 -0.358 0.000 0.483 23 D N 6.507 126.871 120.400 -0.062 0.000 2.479 23 D HA 0.486 5.384 4.640 0.087 -0.206 0.218 23 D C -0.712 175.790 176.300 0.336 0.000 1.177 23 D CA -0.626 53.432 54.000 0.097 0.000 0.830 23 D CB -0.276 40.551 40.800 0.045 0.000 1.014 23 D HN 0.390 8.730 8.370 -0.049 0.000 0.503 24 C N -1.455 118.082 119.300 0.394 0.000 3.320 24 C HA 0.130 4.875 4.460 0.475 0.000 0.335 24 C C -2.267 173.022 174.990 0.499 0.000 1.430 24 C CA -1.519 57.758 59.018 0.433 0.000 1.271 24 C CB 2.955 30.830 27.740 0.225 0.000 1.609 24 C HN -0.764 7.561 8.230 0.254 0.057 0.457 25 D N 0.888 121.503 120.400 0.358 0.000 2.423 25 D HA -0.225 4.829 4.640 0.480 -0.125 0.238 25 D C -1.302 175.200 176.300 0.337 0.000 1.142 25 D CA 0.711 54.922 54.000 0.352 0.000 0.884 25 D CB 0.354 41.262 40.800 0.179 0.000 1.199 25 D HN -0.064 8.448 8.370 0.236 0.000 0.438 26 C N 1.347 120.873 119.300 0.377 0.000 2.381 26 C HA 0.196 4.820 4.460 0.273 0.000 0.328 26 C C -0.858 174.323 174.990 0.317 0.000 1.190 26 C CA -2.130 57.074 59.018 0.310 0.000 1.369 26 C CB 2.592 30.485 27.740 0.254 0.000 2.029 26 C HN 0.612 8.995 8.230 0.435 0.107 0.448 27 A N 5.962 128.900 122.820 0.198 0.000 2.067 27 A HA -0.006 3.984 4.320 -0.549 0.000 0.217 27 A C -1.519 175.979 177.584 -0.143 0.000 1.156 27 A CA 1.358 53.297 52.037 -0.162 0.000 0.683 27 A CB 0.801 19.706 19.000 -0.159 0.000 0.808 27 A HN 0.707 8.983 8.150 0.210 0.000 0.455 28 D N -4.734 115.681 120.400 0.025 0.000 2.354 28 D HA 0.301 5.109 4.640 -0.058 -0.203 0.230 28 D C -0.753 175.590 176.300 0.072 0.000 1.361 28 D CA -0.924 53.067 54.000 -0.015 0.000 0.992 28 D CB 0.887 41.639 40.800 -0.080 0.000 1.409 28 D HN -0.715 7.690 8.370 0.105 0.028 0.573 29 F N 0.677 120.581 119.950 -0.076 0.000 2.653 29 F HA 0.419 4.977 4.527 0.052 0.000 0.304 29 F C 0.059 175.758 175.800 -0.168 0.000 1.092 29 F CA -1.973 55.973 58.000 -0.089 0.000 1.279 29 F CB 0.877 39.760 39.000 -0.195 0.000 1.044 29 F HN -0.345 8.005 8.300 0.083 0.000 0.564 30 R N 1.826 121.890 120.500 -0.727 0.000 2.200 30 R HA -0.223 3.776 4.340 -0.872 -0.183 0.234 30 R C 0.631 176.683 176.300 -0.414 0.000 1.127 30 R CA 2.944 58.652 56.100 -0.654 0.000 0.989 30 R CB -0.662 29.363 30.300 -0.459 0.000 0.869 30 R HN 0.195 8.060 8.270 -0.558 0.070 0.459 31 S N -2.195 113.276 115.700 -0.382 0.000 2.481 31 S HA -0.150 4.111 4.470 -0.348 0.000 0.231 31 S C 0.584 174.834 174.600 -0.584 0.000 0.996 31 S CA 2.384 60.310 58.200 -0.457 0.000 0.942 31 S CB 0.035 62.916 63.200 -0.531 0.000 0.768 31 S HN -0.044 8.027 8.310 -0.332 0.039 0.520 32 Y N -1.383 118.723 120.300 -0.322 0.000 2.507 32 Y HA 0.051 4.459 4.550 -0.237 0.000 0.263 32 Y C -1.372 174.365 175.900 -0.270 0.000 1.093 32 Y CA 1.153 59.022 58.100 -0.385 0.000 1.285 32 Y CB 2.034 39.887 38.460 -1.011 0.000 1.115 32 Y HN -0.477 7.448 8.280 -0.301 0.174 0.533 33 L N -3.262 117.883 121.223 -0.131 0.000 2.505 33 L HA 0.394 4.727 4.340 -0.011 0.000 0.266 33 L C -0.821 175.948 176.870 -0.169 0.000 0.954 33 L CA -0.962 53.842 54.840 -0.060 0.000 0.852 33 L CB 3.597 45.719 42.059 0.107 0.000 1.282 33 L HN -0.660 7.322 8.230 -0.242 0.102 0.403 34 S N 1.048 116.686 115.700 -0.104 0.000 2.528 34 S HA 0.025 4.387 4.470 -0.180 0.000 0.219 34 S C -0.481 174.065 174.600 -0.091 0.000 0.985 34 S CA 1.006 59.133 58.200 -0.122 0.000 0.914 34 S CB 0.772 63.924 63.200 -0.080 0.000 0.776 34 S HN 0.166 8.610 8.310 -0.051 -0.165 0.526 35 R N -3.412 117.068 120.500 -0.033 0.000 2.765 35 R HA 0.332 4.670 4.340 -0.002 0.000 0.277 35 R C -2.152 174.208 176.300 0.100 0.000 1.028 35 R CA -0.641 55.468 56.100 0.015 0.000 0.860 35 R CB 2.973 33.275 30.300 0.004 0.000 1.270 35 R HN -0.798 7.414 8.270 -0.007 0.053 0.484 36 C N -0.465 118.918 119.300 0.138 0.000 2.505 36 C HA 0.377 5.116 4.460 0.224 -0.145 0.342 36 C C -1.626 173.483 174.990 0.198 0.000 1.121 36 C CA -0.278 58.866 59.018 0.211 0.000 1.306 36 C CB 3.082 30.989 27.740 0.279 0.000 1.897 36 C HN 0.345 8.642 8.230 0.111 0.000 0.446 37 N N 3.468 122.291 118.700 0.205 0.000 2.205 37 N HA 0.309 5.393 4.740 0.229 -0.207 0.201 37 N C -1.331 174.360 175.510 0.302 0.000 1.128 37 N CA -0.369 52.823 53.050 0.237 0.000 0.867 37 N CB 2.163 40.752 38.487 0.170 0.000 0.996 37 N HN 0.215 8.721 8.380 0.209 0.000 0.503 38 S N -3.034 112.823 115.700 0.261 0.000 2.547 38 S HA 0.341 4.934 4.470 0.204 0.000 0.270 38 S C -2.225 172.571 174.600 0.326 0.000 1.150 38 S CA -0.488 57.834 58.200 0.203 0.000 0.850 38 S CB 2.752 65.913 63.200 -0.066 0.000 1.118 38 S HN -0.807 7.623 8.310 0.290 0.054 0.461 39 I N -1.679 119.054 120.570 0.271 0.000 2.827 39 I HA 0.654 5.127 4.170 0.217 -0.173 0.298 39 I C -2.259 174.032 176.117 0.291 0.000 1.235 39 I CA -0.718 60.679 61.300 0.162 0.000 1.021 39 I CB 5.305 43.164 38.000 -0.236 0.000 1.259 39 I HN 0.410 8.776 8.210 0.259 0.000 0.427 40 R N 3.644 124.267 120.500 0.206 0.000 2.480 40 R HA 0.461 4.954 4.340 0.256 0.000 0.306 40 R C -2.044 174.211 176.300 -0.075 0.000 0.958 40 R CA -1.320 54.879 56.100 0.165 0.000 0.861 40 R CB 3.584 34.007 30.300 0.206 0.000 1.171 40 R HN 0.909 9.071 8.270 0.002 0.109 0.445 41 V N 6.913 126.825 119.914 -0.003 0.000 2.347 41 V HA 0.238 4.205 4.120 -0.254 0.000 0.280 41 V C -0.700 175.378 176.094 -0.027 0.000 1.021 41 V CA 0.066 62.315 62.300 -0.085 0.000 0.847 41 V CB 0.729 32.565 31.823 0.022 0.000 0.990 41 V HN 1.032 9.302 8.190 0.135 0.000 0.444 42 E N 9.011 129.170 120.200 -0.069 0.000 2.170 42 E HA 0.026 4.359 4.350 -0.027 0.000 0.191 42 E C 0.135 176.750 176.600 0.025 0.000 0.981 42 E CA 0.598 56.980 56.400 -0.029 0.000 0.830 42 E CB 1.204 30.871 29.700 -0.055 0.000 0.775 42 E HN 0.475 8.748 8.360 -0.144 0.000 0.470 43 G N -1.943 106.903 108.800 0.076 0.000 2.703 43 G HA2 0.174 4.418 3.960 0.107 0.000 0.294 43 G HA3 0.174 4.199 3.960 0.110 0.000 0.294 43 G C -2.045 173.015 174.900 0.267 0.000 1.451 43 G CA -0.688 44.491 45.100 0.132 0.000 0.869 43 G HN -0.810 7.518 8.290 0.063 0.000 0.516 44 G N 0.413 109.345 108.800 0.220 0.000 2.795 44 G HA2 -0.377 3.655 3.960 0.121 0.000 0.664 44 G HA3 -0.377 3.760 3.960 0.297 0.000 0.664 44 G C -1.744 173.322 174.900 0.276 0.000 1.381 44 G CA -0.128 45.109 45.100 0.228 0.000 0.853 44 G HN 0.049 8.428 8.290 0.149 0.000 0.545 45 T N 0.796 115.410 114.554 0.100 0.000 2.807 45 T HA 0.487 5.166 4.350 0.298 -0.150 0.279 45 T C -1.096 173.595 174.700 -0.016 0.000 0.993 45 T CA 0.115 62.306 62.100 0.151 0.000 0.970 45 T CB 2.436 71.344 68.868 0.068 0.000 0.950 45 T HN 0.019 8.225 8.240 -0.056 0.000 0.441 46 W N 4.978 126.298 121.300 0.034 0.000 2.882 46 W HA 0.431 5.233 4.660 0.040 -0.118 0.345 46 W C -2.272 174.285 176.519 0.063 0.000 1.125 46 W CA -1.548 55.822 57.345 0.041 0.000 1.167 46 W CB 4.051 33.529 29.460 0.031 0.000 1.431 46 W HN 0.584 9.049 8.180 0.475 0.000 0.543 47 A N 0.049 123.058 122.820 0.315 0.000 2.304 47 A HA 1.027 5.668 4.320 0.207 -0.197 0.323 47 A C -1.758 176.047 177.584 0.367 0.000 1.195 47 A CA -2.162 50.036 52.037 0.267 0.000 0.826 47 A CB 2.873 22.029 19.000 0.261 0.000 1.184 47 A HN 1.232 9.464 8.150 0.319 0.109 0.496 48 V N -1.247 118.822 119.914 0.258 0.000 2.628 48 V HA 0.884 5.409 4.120 0.460 -0.129 0.306 48 V C -1.784 174.468 176.094 0.264 0.000 1.045 48 V CA -3.285 59.214 62.300 0.331 0.000 0.905 48 V CB 2.320 34.234 31.823 0.151 0.000 0.997 48 V HN 0.491 8.800 8.190 0.198 0.000 0.436 49 Y N 2.674 123.186 120.300 0.353 0.000 2.485 49 Y HA 0.629 5.619 4.550 0.362 -0.223 0.345 49 Y C 0.481 176.581 175.900 0.333 0.000 0.998 49 Y CA -1.796 56.508 58.100 0.341 0.000 1.059 49 Y CB 3.598 42.233 38.460 0.291 0.000 1.234 49 Y HN 0.545 9.232 8.280 0.679 0.000 0.461 50 E N 2.439 122.918 120.200 0.465 0.000 2.150 50 E HA -0.204 4.583 4.350 0.364 -0.218 0.193 50 E C 0.026 176.782 176.600 0.261 0.000 0.985 50 E CA 2.699 59.322 56.400 0.371 0.000 0.814 50 E CB 1.106 31.051 29.700 0.409 0.000 0.752 50 E HN -0.009 8.628 8.360 0.461 0.000 0.466 51 R N -4.155 116.493 120.500 0.248 0.000 2.854 51 R HA 0.513 4.895 4.340 0.070 0.000 0.271 51 R C -2.613 173.723 176.300 0.060 0.000 0.994 51 R CA -3.261 52.908 56.100 0.116 0.000 0.945 51 R CB 1.955 32.311 30.300 0.093 0.000 1.194 51 R HN -0.509 7.938 8.270 0.321 0.015 0.476 52 P HA -0.298 4.112 4.420 -0.148 -0.079 0.271 52 P C -0.666 176.477 177.300 -0.261 0.000 1.233 52 P CA 0.284 63.293 63.100 -0.151 0.000 0.795 52 P CB 0.663 32.271 31.700 -0.153 0.000 0.936 53 N N -2.218 116.160 118.700 -0.537 0.000 2.754 53 N HA -0.454 3.659 4.740 -1.045 0.000 0.248 53 N C -1.813 173.296 175.510 -0.668 0.000 1.093 53 N CA 0.851 53.479 53.050 -0.705 0.000 0.699 53 N CB -0.696 37.622 38.487 -0.281 0.000 1.016 53 N HN -0.080 7.959 8.380 -0.569 0.000 0.552 54 F N -8.336 111.462 119.950 -0.253 0.000 2.907 54 F HA -0.333 3.491 4.527 -1.171 0.000 0.244 54 F C -0.769 174.757 175.800 -0.456 0.000 1.007 54 F CA 0.288 57.793 58.000 -0.824 0.000 0.872 54 F CB -2.816 35.636 39.000 -0.912 0.000 0.767 54 F HN -0.318 7.282 8.300 -1.145 0.013 0.837 55 S N -1.885 113.846 115.700 0.052 0.000 2.634 55 S HA 0.287 4.876 4.470 0.199 0.000 0.296 55 S C -0.579 174.193 174.600 0.287 0.000 1.104 55 S CA -1.411 56.895 58.200 0.177 0.000 0.920 55 S CB 3.003 66.239 63.200 0.058 0.000 1.111 55 S HN -0.619 7.709 8.310 0.030 0.000 0.493 56 G N 0.772 109.678 108.800 0.177 0.000 2.615 56 G HA2 -0.399 3.546 3.960 -0.026 0.000 0.218 56 G HA3 -0.399 3.708 3.960 0.243 0.000 0.218 56 G C -0.946 173.987 174.900 0.055 0.000 1.339 56 G CA -0.048 45.124 45.100 0.119 0.000 0.884 56 G HN 0.070 8.428 8.290 0.113 0.000 0.559 57 H N 1.468 120.591 119.070 0.089 0.000 2.928 57 H HA -0.103 4.366 4.556 -0.144 0.000 0.338 57 H C -0.519 174.723 175.328 -0.143 0.000 1.047 57 H CA 1.043 57.071 56.048 -0.033 0.000 1.435 57 H CB 0.127 29.963 29.762 0.124 0.000 1.428 57 H HN 0.219 8.907 8.280 0.680 0.000 0.590 58 M N 0.586 119.947 119.600 -0.398 0.000 2.383 58 M HA 0.908 5.176 4.480 -0.715 -0.217 0.325 58 M C -1.926 173.987 176.300 -0.645 0.000 1.092 58 M CA -0.904 53.994 55.300 -0.670 0.000 0.961 58 M CB 3.529 35.613 32.600 -0.860 0.000 1.672 58 M HN -0.114 7.890 8.290 -0.477 0.000 0.438 59 Y N 0.543 120.816 120.300 -0.045 0.000 2.442 59 Y HA 0.250 4.853 4.550 0.088 0.000 0.344 59 Y C -1.305 174.699 175.900 0.174 0.000 0.976 59 Y CA -1.016 57.187 58.100 0.170 0.000 1.040 59 Y CB 3.989 42.768 38.460 0.532 0.000 1.228 59 Y HN 0.301 8.596 8.280 0.026 0.000 0.451 60 I N 2.204 122.951 120.570 0.294 0.000 2.365 60 I HA 0.287 4.708 4.170 0.190 -0.137 0.291 60 I C -0.807 175.458 176.117 0.247 0.000 1.004 60 I CA -2.323 59.107 61.300 0.217 0.000 1.311 60 I CB 0.041 38.131 38.000 0.150 0.000 1.401 60 I HN 0.291 8.673 8.210 0.287 0.000 0.491 61 L N 7.160 128.499 121.223 0.193 0.000 2.342 61 L HA 0.566 4.982 4.340 0.127 0.000 0.276 61 L C -2.754 174.223 176.870 0.179 0.000 0.997 61 L CA -3.162 51.748 54.840 0.117 0.000 0.838 61 L CB 3.479 45.490 42.059 -0.079 0.000 1.224 61 L HN 0.957 9.198 8.230 0.202 0.110 0.416 62 P HA 0.208 4.737 4.420 0.182 0.000 0.276 62 P C -0.487 176.952 177.300 0.232 0.000 1.261 62 P CA -1.457 61.764 63.100 0.201 0.000 0.800 62 P CB 0.757 32.559 31.700 0.169 0.000 1.066 63 Q N -0.771 119.140 119.800 0.186 0.000 2.333 63 Q HA -0.463 3.978 4.340 0.169 0.000 0.299 63 Q C 0.126 176.221 176.000 0.158 0.000 1.067 63 Q CA 1.631 57.530 55.803 0.161 0.000 0.943 63 Q CB 0.288 29.092 28.738 0.110 0.000 1.233 63 Q HN 0.264 8.630 8.270 0.160 0.000 0.401 64 G N 1.829 110.716 108.800 0.145 0.000 2.341 64 G HA2 -0.130 3.818 3.960 -0.019 0.000 0.293 64 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.293 64 G C -3.382 171.532 174.900 0.022 0.000 1.298 64 G CA -0.252 44.871 45.100 0.038 0.000 0.868 64 G HN -0.050 8.321 8.290 0.134 0.000 0.540 65 E N -0.144 119.937 120.200 -0.200 0.000 2.210 65 E HA 0.287 4.714 4.350 0.128 0.000 0.266 65 E C -1.535 174.896 176.600 -0.282 0.000 0.883 65 E CA -1.921 54.434 56.400 -0.075 0.000 0.761 65 E CB 2.432 32.084 29.700 -0.081 0.000 1.156 65 E HN 0.061 8.238 8.360 -0.304 0.000 0.412 66 Y N 5.364 125.764 120.300 0.166 0.000 2.686 66 Y HA 0.410 5.020 4.550 0.100 0.000 0.331 66 Y C -1.582 174.363 175.900 0.075 0.000 0.996 66 Y CA -3.245 54.930 58.100 0.125 0.000 1.293 66 Y CB 0.231 38.761 38.460 0.117 0.000 1.092 66 Y HN 0.280 8.871 8.280 0.517 0.000 0.524 67 P HA -0.122 3.497 4.420 -1.334 0.000 0.239 67 P C -1.749 175.346 177.300 -0.341 0.000 1.184 67 P CA 0.570 63.383 63.100 -0.479 0.000 0.760 67 P CB 0.053 31.584 31.700 -0.283 0.000 0.884 68 E N -6.812 113.339 120.200 -0.082 0.000 2.407 68 E HA 0.552 5.038 4.350 0.010 -0.130 0.279 68 E C 0.892 177.530 176.600 0.064 0.000 1.012 68 E CA -1.528 54.846 56.400 -0.043 0.000 0.800 68 E CB 4.555 34.153 29.700 -0.171 0.000 1.276 68 E HN -0.870 7.440 8.360 0.039 0.074 0.452 69 Y N 1.887 122.274 120.300 0.145 0.000 2.224 69 Y HA -0.381 4.435 4.550 0.444 0.000 0.289 69 Y C 1.244 177.247 175.900 0.170 0.000 1.146 69 Y CA 3.373 61.638 58.100 0.275 0.000 1.182 69 Y CB -0.553 38.054 38.460 0.246 0.000 0.983 69 Y HN 0.532 9.095 8.280 0.473 0.000 0.524 70 Q N -1.865 117.440 119.800 -0.826 0.000 2.297 70 Q HA -0.284 3.848 4.340 -0.346 0.000 0.208 70 Q C 2.399 178.302 176.000 -0.163 0.000 0.981 70 Q CA 2.563 58.076 55.803 -0.483 0.000 0.876 70 Q CB -0.847 27.545 28.738 -0.576 0.000 0.921 70 Q HN 0.310 7.528 8.270 -1.753 0.000 0.446 71 R N -1.438 119.042 120.500 -0.032 0.000 2.235 71 R HA -0.172 4.213 4.340 0.075 0.000 0.213 71 R C 0.390 176.917 176.300 0.377 0.000 1.059 71 R CA 1.763 57.960 56.100 0.161 0.000 0.997 71 R CB -0.471 29.957 30.300 0.213 0.000 0.884 71 R HN -0.435 7.628 8.270 -0.082 0.159 0.462 72 W N -1.350 119.990 121.300 0.065 0.000 3.123 72 W HA 0.132 4.760 4.660 -0.053 0.000 0.383 72 W C -1.797 174.633 176.519 -0.147 0.000 1.102 72 W CA -1.344 55.947 57.345 -0.090 0.000 1.865 72 W CB 0.656 29.961 29.460 -0.257 0.000 1.111 72 W HN -0.177 7.980 8.180 0.276 0.189 0.621 73 M N -4.031 115.351 119.600 -0.364 0.000 2.762 73 M HA -0.452 3.840 4.480 -0.314 0.000 0.190 73 M C 0.091 175.778 176.300 -1.021 0.000 0.586 73 M CA 0.798 55.786 55.300 -0.520 0.000 0.620 73 M CB -2.898 29.489 32.600 -0.356 0.000 2.269 73 M HN -0.469 7.522 8.290 -0.136 0.218 0.563 74 G N -3.374 104.667 108.800 -1.265 0.000 2.414 74 G HA2 -0.136 2.190 3.960 -2.723 0.000 0.236 74 G HA3 -0.136 3.061 3.960 -1.270 0.000 0.236 74 G C -0.042 174.485 174.900 -0.621 0.000 1.293 74 G CA -0.487 43.643 45.100 -1.618 0.000 0.869 74 G HN -0.632 7.136 8.290 -0.799 0.043 0.556 75 L N 1.894 122.799 121.223 -0.530 0.000 2.179 75 L HA -0.035 4.195 4.340 -0.183 0.000 0.208 75 L C -1.012 175.764 176.870 -0.156 0.000 1.096 75 L CA 1.944 56.635 54.840 -0.247 0.000 0.779 75 L CB 0.681 42.584 42.059 -0.259 0.000 0.922 75 L HN 0.350 8.175 8.230 -0.675 0.000 0.443 76 N N -5.067 113.539 118.700 -0.155 0.000 3.364 76 N HA 0.067 4.652 4.740 -0.259 0.000 0.294 76 N C -2.172 173.279 175.510 -0.098 0.000 1.562 76 N CA -0.626 52.324 53.050 -0.167 0.000 0.862 76 N CB 1.953 40.366 38.487 -0.123 0.000 1.691 76 N HN -0.707 7.554 8.380 -0.170 0.017 0.572 77 D N 0.086 120.404 120.400 -0.137 0.000 2.460 77 D HA 0.058 4.837 4.640 0.128 -0.063 0.229 77 D C -0.796 175.551 176.300 0.077 0.000 1.170 77 D CA 0.131 54.128 54.000 -0.005 0.000 0.827 77 D CB -0.163 40.577 40.800 -0.100 0.000 0.973 77 D HN 0.288 8.544 8.370 -0.190 0.000 0.496 78 R N -1.144 119.412 120.500 0.094 0.000 2.229 78 R HA 0.246 4.616 4.340 0.050 0.000 0.328 78 R C -1.864 174.551 176.300 0.190 0.000 1.009 78 R CA -1.171 54.985 56.100 0.093 0.000 0.864 78 R CB 0.068 30.400 30.300 0.053 0.000 1.085 78 R HN 0.009 8.239 8.270 0.077 0.086 0.453 79 L N 3.774 125.105 121.223 0.179 0.000 2.476 79 L HA 0.416 5.119 4.340 0.328 -0.166 0.269 79 L C -0.570 176.437 176.870 0.229 0.000 0.965 79 L CA -0.538 54.489 54.840 0.311 0.000 0.845 79 L CB 3.837 46.119 42.059 0.372 0.000 1.259 79 L HN 0.555 8.840 8.230 0.092 0.000 0.403 80 G N 0.800 109.734 108.800 0.224 0.000 2.848 80 G HA2 0.249 3.882 3.960 -0.544 0.000 0.213 80 G HA3 0.249 4.240 3.960 -0.066 -0.071 0.213 80 G C -1.448 173.606 174.900 0.256 0.000 1.101 80 G CA 0.004 45.077 45.100 -0.046 0.000 0.778 80 G HN 0.410 8.792 8.290 0.287 0.080 0.536 81 S N -0.321 115.656 115.700 0.462 0.000 2.565 81 S HA 0.693 5.525 4.470 0.449 -0.093 0.269 81 S C -2.439 172.432 174.600 0.452 0.000 1.153 81 S CA -0.834 57.593 58.200 0.379 0.000 0.835 81 S CB 2.135 65.341 63.200 0.011 0.000 1.122 81 S HN -0.742 7.862 8.310 0.490 0.000 0.462 82 C N 0.911 120.475 119.300 0.441 0.000 2.985 82 C HA 1.046 6.012 4.460 0.573 -0.162 0.314 82 C C -2.110 173.193 174.990 0.522 0.000 1.215 82 C CA -2.794 56.510 59.018 0.477 0.000 1.414 82 C CB 3.831 31.750 27.740 0.298 0.000 1.842 82 C HN 0.761 9.249 8.230 0.430 0.000 0.477 83 R N 0.548 121.323 120.500 0.458 0.000 2.673 83 R HA 0.398 4.859 4.340 0.201 0.000 0.281 83 R C -1.846 174.457 176.300 0.006 0.000 0.991 83 R CA -1.657 54.550 56.100 0.177 0.000 0.896 83 R CB 4.955 35.176 30.300 -0.131 0.000 1.201 83 R HN 0.675 9.245 8.270 0.500 0.000 0.457 84 A N 3.372 125.908 122.820 -0.475 0.000 2.409 84 A HA 0.192 3.624 4.320 -1.637 -0.094 0.262 84 A C -0.837 176.286 177.584 -0.769 0.000 1.113 84 A CA -0.491 50.831 52.037 -1.191 0.000 0.790 84 A CB 0.638 18.745 19.000 -1.490 0.000 1.046 84 A HN 0.364 8.303 8.150 -0.352 0.000 0.496 85 V N 4.443 124.008 119.914 -0.580 0.000 2.432 85 V HA -0.042 3.818 4.120 -0.433 0.000 0.275 85 V C -0.696 175.232 176.094 -0.276 0.000 1.043 85 V CA -0.208 61.865 62.300 -0.378 0.000 0.925 85 V CB 0.558 32.291 31.823 -0.151 0.000 0.985 85 V HN 0.477 8.183 8.190 -0.622 0.111 0.466 86 H N 6.566 125.559 119.070 -0.128 0.000 2.527 86 H HA 0.169 4.654 4.556 -0.119 0.000 0.321 86 H C -0.741 174.562 175.328 -0.042 0.000 1.087 86 H CA -1.147 54.844 56.048 -0.095 0.000 1.337 86 H CB 0.430 30.146 29.762 -0.076 0.000 1.440 86 H HN 0.204 8.216 8.280 -0.447 0.000 0.490 87 L N 3.319 124.600 121.223 0.097 0.000 2.325 87 L HA 0.254 4.631 4.340 0.061 0.000 0.279 87 L C 0.113 177.019 176.870 0.059 0.000 1.054 87 L CA -0.662 54.215 54.840 0.061 0.000 0.804 87 L CB 0.862 42.944 42.059 0.038 0.000 1.200 87 L HN 0.114 8.397 8.230 0.089 0.000 0.436 88 S N 2.065 117.803 115.700 0.064 0.000 2.456 88 S HA 0.150 4.646 4.470 0.043 0.000 0.316 88 S C -0.617 174.014 174.600 0.051 0.000 1.089 88 S CA -0.487 57.747 58.200 0.057 0.000 1.101 88 S CB 0.871 64.115 63.200 0.073 0.000 0.995 88 S HN 0.129 8.482 8.310 0.071 0.000 0.468 89 S N 4.449 120.171 115.700 0.038 0.000 2.473 89 S HA 0.184 4.678 4.470 0.041 0.000 0.307 89 S C -0.202 174.418 174.600 0.034 0.000 1.094 89 S CA -0.116 58.105 58.200 0.035 0.000 1.070 89 S CB 1.438 64.652 63.200 0.023 0.000 1.019 89 S HN 0.178 8.506 8.310 0.030 0.000 0.480 90 G N 3.923 112.747 108.800 0.039 0.000 3.083 90 G HA2 0.131 4.108 3.960 0.027 0.000 0.210 90 G HA3 0.131 4.114 3.960 0.038 0.000 0.210 90 G C -0.832 174.089 174.900 0.035 0.000 1.571 90 G CA 0.835 45.955 45.100 0.035 0.000 0.727 90 G HN 0.427 8.745 8.290 0.046 0.000 0.988 91 G N 0.262 109.090 108.800 0.046 0.000 3.403 91 G HA2 -0.022 3.960 3.960 0.036 0.000 0.156 91 G HA3 -0.022 3.963 3.960 0.041 0.000 0.156 91 G C -2.228 172.706 174.900 0.056 0.000 1.210 91 G CA 0.651 45.777 45.100 0.044 0.000 1.452 91 G HN -0.053 8.271 8.290 0.056 0.000 0.720 92 Q N 1.804 121.644 119.800 0.066 0.000 2.327 92 Q HA 0.233 4.624 4.340 0.085 0.000 0.270 92 Q C -1.635 174.438 176.000 0.121 0.000 1.022 92 Q CA -1.047 54.808 55.803 0.086 0.000 0.773 92 Q CB 1.444 30.226 28.738 0.073 0.000 1.251 92 Q HN 0.174 8.479 8.270 0.059 0.000 0.457 93 A N 5.959 128.883 122.820 0.175 0.000 2.409 93 A HA 0.102 4.700 4.320 0.231 -0.140 0.267 93 A C -1.474 176.291 177.584 0.300 0.000 1.127 93 A CA -0.115 52.094 52.037 0.287 0.000 0.795 93 A CB 0.908 20.183 19.000 0.459 0.000 1.061 93 A HN 0.401 8.645 8.150 0.156 0.000 0.502 94 K N 3.623 124.135 120.400 0.187 0.000 2.422 94 K HA 0.447 4.885 4.320 0.197 0.000 0.251 94 K C -2.106 174.452 176.600 -0.070 0.000 0.933 94 K CA -0.705 55.650 56.287 0.113 0.000 0.798 94 K CB 3.596 36.136 32.500 0.067 0.000 1.238 94 K HN 0.233 8.556 8.250 0.122 0.000 0.428 95 I N 3.781 124.290 120.570 -0.101 0.000 2.689 95 I HA 0.533 4.475 4.170 -0.380 0.000 0.299 95 I C -3.148 172.889 176.117 -0.133 0.000 1.059 95 I CA -2.603 58.508 61.300 -0.315 0.000 1.055 95 I CB 4.184 41.786 38.000 -0.663 0.000 1.243 95 I HN 0.211 8.451 8.210 0.049 0.000 0.425 96 Q N 6.070 125.806 119.800 -0.107 0.000 2.340 96 Q HA 0.837 5.312 4.340 -0.043 -0.161 0.268 96 Q C -1.211 174.812 176.000 0.038 0.000 1.031 96 Q CA -2.300 53.495 55.803 -0.015 0.000 0.804 96 Q CB 2.753 31.541 28.738 0.082 0.000 1.286 96 Q HN 0.103 8.286 8.270 -0.145 0.000 0.448 97 V N -3.249 116.636 119.914 -0.050 0.000 2.769 97 V HA 0.433 4.663 4.120 0.184 0.000 0.312 97 V C -2.259 173.817 176.094 -0.029 0.000 1.061 97 V CA -1.709 60.611 62.300 0.033 0.000 0.931 97 V CB 3.177 34.922 31.823 -0.130 0.000 1.010 97 V HN 0.573 8.683 8.190 -0.133 0.000 0.433 98 F N 3.045 123.018 119.950 0.038 0.000 2.508 98 F HA 0.640 5.381 4.527 0.080 -0.167 0.325 98 F C 0.250 176.086 175.800 0.061 0.000 1.090 98 F CA -1.412 56.627 58.000 0.064 0.000 0.945 98 F CB 3.794 42.839 39.000 0.075 0.000 1.156 98 F HN 0.084 8.650 8.300 0.442 0.000 0.463 99 E N 3.163 123.484 120.200 0.202 0.000 2.150 99 E HA -0.247 4.207 4.350 0.174 0.000 0.193 99 E C -0.024 176.601 176.600 0.041 0.000 0.985 99 E CA 2.488 58.977 56.400 0.148 0.000 0.814 99 E CB 0.903 30.679 29.700 0.127 0.000 0.752 99 E HN 0.251 8.706 8.360 0.158 0.000 0.466 100 K N -2.891 117.525 120.400 0.027 0.000 2.306 100 K HA 0.296 4.338 4.320 -0.464 0.000 0.236 100 K C 0.157 176.705 176.600 -0.087 0.000 1.013 100 K CA -2.152 54.039 56.287 -0.160 0.000 0.857 100 K CB 3.021 35.459 32.500 -0.103 0.000 1.214 100 K HN -0.221 8.015 8.250 0.144 0.101 0.449 101 G N -1.395 107.328 108.800 -0.127 0.000 2.636 101 G HA2 -0.186 3.851 3.960 -0.119 0.000 0.246 101 G HA3 -0.186 3.724 3.960 -0.083 0.000 0.246 101 G C -0.484 174.270 174.900 -0.244 0.000 1.216 101 G CA -0.245 44.778 45.100 -0.127 0.000 0.854 101 G HN 0.275 8.445 8.290 -0.199 0.000 0.572 102 D N -2.571 117.567 120.400 -0.437 0.000 2.772 102 D HA -0.421 3.823 4.640 -0.660 0.000 0.233 102 D C -1.297 174.744 176.300 -0.432 0.000 1.143 102 D CA 1.281 54.997 54.000 -0.473 0.000 0.700 102 D CB -1.911 38.792 40.800 -0.161 0.000 1.076 102 D HN -0.068 8.020 8.370 -0.470 0.000 0.430 103 F N -8.734 111.004 119.950 -0.353 0.000 2.891 103 F HA -0.479 3.300 4.527 -1.247 0.000 0.272 103 F C -1.297 174.263 175.800 -0.400 0.000 1.004 103 F CA 0.988 58.442 58.000 -0.910 0.000 0.938 103 F CB -2.566 35.736 39.000 -1.163 0.000 0.939 103 F HN 0.076 7.644 8.300 -1.198 0.013 0.833 104 N N -0.476 118.270 118.700 0.077 0.000 2.469 104 N HA 0.203 5.074 4.740 0.220 0.000 0.286 104 N C -0.977 174.677 175.510 0.240 0.000 1.275 104 N CA -0.754 52.401 53.050 0.175 0.000 0.790 104 N CB 3.128 41.642 38.487 0.045 0.000 1.446 104 N HN -0.617 7.776 8.380 0.023 0.000 0.501 105 G N -1.862 107.037 108.800 0.164 0.000 2.587 105 G HA2 -0.283 3.718 3.960 0.069 0.000 0.212 105 G HA3 -0.283 3.736 3.960 0.099 0.000 0.212 105 G C -2.420 172.535 174.900 0.091 0.000 1.327 105 G CA -0.489 44.676 45.100 0.108 0.000 0.898 105 G HN -0.081 8.291 8.290 0.136 0.000 0.551 106 Q N -0.178 119.651 119.800 0.049 0.000 2.327 106 Q HA 0.037 4.314 4.340 -0.105 0.000 0.254 106 Q C -0.916 174.957 176.000 -0.212 0.000 0.952 106 Q CA 0.028 55.794 55.803 -0.062 0.000 0.884 106 Q CB 0.772 29.531 28.738 0.035 0.000 1.224 106 Q HN 0.137 8.455 8.270 0.079 0.000 0.422 107 M N 3.934 123.236 119.600 -0.497 0.000 2.456 107 M HA 0.771 4.962 4.480 -0.822 -0.204 0.324 107 M C -1.492 174.381 176.300 -0.711 0.000 1.124 107 M CA -1.131 53.696 55.300 -0.790 0.000 0.959 107 M CB 2.977 34.902 32.600 -1.125 0.000 1.692 107 M HN 0.033 8.047 8.290 -0.460 0.000 0.444 108 Y N 2.595 122.721 120.300 -0.289 0.000 2.442 108 Y HA 0.217 4.768 4.550 0.001 0.000 0.344 108 Y C -1.973 173.886 175.900 -0.068 0.000 0.976 108 Y CA -0.815 57.248 58.100 -0.062 0.000 1.040 108 Y CB 3.590 42.105 38.460 0.092 0.000 1.228 108 Y HN 0.539 8.659 8.280 -0.267 0.000 0.451 109 E N 4.599 124.899 120.200 0.167 0.000 2.187 109 E HA 0.835 5.413 4.350 0.067 -0.188 0.268 109 E C -1.285 175.450 176.600 0.224 0.000 0.896 109 E CA -1.817 54.655 56.400 0.120 0.000 0.766 109 E CB 2.880 32.612 29.700 0.053 0.000 1.142 109 E HN 0.276 8.754 8.360 0.197 0.000 0.408 110 T N 3.550 118.242 114.554 0.231 0.000 2.894 110 T HA 0.328 4.836 4.350 0.263 0.000 0.309 110 T C -0.803 174.077 174.700 0.300 0.000 1.208 110 T CA -1.298 60.987 62.100 0.308 0.000 1.016 110 T CB 1.365 70.527 68.868 0.489 0.000 1.192 110 T HN 0.447 8.785 8.240 0.164 0.000 0.491 111 T N 2.083 116.801 114.554 0.274 0.000 3.085 111 T HA 0.459 5.118 4.350 0.326 -0.114 0.264 111 T C 0.085 174.948 174.700 0.271 0.000 1.019 111 T CA -1.353 60.910 62.100 0.271 0.000 0.910 111 T CB 0.583 69.558 68.868 0.179 0.000 1.059 111 T HN 0.374 8.758 8.240 0.240 0.000 0.542 112 E N 1.958 122.340 120.200 0.302 0.000 2.320 112 E HA 0.230 4.663 4.350 0.139 0.000 0.264 112 E C -0.989 175.769 176.600 0.264 0.000 0.923 112 E CA -1.415 55.110 56.400 0.209 0.000 0.796 112 E CB 2.961 32.741 29.700 0.133 0.000 1.262 112 E HN -0.610 7.900 8.360 0.352 0.061 0.428 113 D N -0.701 119.733 120.400 0.057 0.000 2.368 113 D HA -0.094 4.465 4.640 -0.136 0.000 0.240 113 D C -0.788 175.302 176.300 -0.350 0.000 1.169 113 D CA 0.226 54.123 54.000 -0.170 0.000 0.906 113 D CB 0.302 40.978 40.800 -0.207 0.000 1.187 113 D HN 0.014 8.389 8.370 0.010 0.000 0.435 114 C N 0.204 118.950 119.300 -0.925 0.000 2.344 114 C HA 0.487 4.811 4.460 -0.227 0.000 0.326 114 C C -1.515 173.301 174.990 -0.290 0.000 1.201 114 C CA -3.817 54.887 59.018 -0.523 0.000 1.410 114 C CB 2.547 29.986 27.740 -0.503 0.000 2.070 114 C HN -0.085 7.224 8.230 -1.535 0.000 0.445 115 P HA 0.111 4.151 4.420 -0.632 0.000 0.224 115 P C -1.139 175.995 177.300 -0.277 0.000 1.157 115 P CA 1.101 63.990 63.100 -0.352 0.000 0.799 115 P CB 0.852 32.369 31.700 -0.305 0.000 0.809 116 S N -3.078 112.541 115.700 -0.136 0.000 2.775 116 S HA 0.412 5.011 4.470 -0.039 -0.153 0.277 116 S C -0.072 174.556 174.600 0.046 0.000 1.156 116 S CA -0.817 57.350 58.200 -0.054 0.000 1.081 116 S CB 2.441 65.594 63.200 -0.078 0.000 1.054 116 S HN -0.764 7.454 8.310 -0.121 0.020 0.482 117 I N 7.085 127.750 120.570 0.157 0.000 2.286 117 I HA -0.391 4.102 4.170 0.538 0.000 0.248 117 I C 1.426 177.679 176.117 0.226 0.000 1.115 117 I CA 4.343 65.839 61.300 0.326 0.000 1.392 117 I CB 0.329 38.517 38.000 0.313 0.000 1.065 117 I HN 0.860 9.050 8.210 0.147 0.108 0.418 118 M N -0.234 119.432 119.600 0.110 0.000 2.175 118 M HA -0.404 4.343 4.480 0.085 -0.217 0.264 118 M C 1.613 177.889 176.300 -0.040 0.000 1.063 118 M CA 3.933 59.269 55.300 0.060 0.000 1.119 118 M CB -0.243 32.396 32.600 0.064 0.000 1.377 118 M HN -0.054 8.297 8.290 0.101 0.000 0.415 119 E N -2.084 118.078 120.200 -0.064 0.000 2.106 119 E HA -0.271 4.043 4.350 -0.059 0.000 0.192 119 E C 1.557 177.958 176.600 -0.333 0.000 0.984 119 E CA 2.643 58.968 56.400 -0.124 0.000 0.806 119 E CB -0.518 29.128 29.700 -0.090 0.000 0.750 119 E HN -0.222 8.121 8.360 -0.028 0.000 0.458 120 Q N -1.746 117.823 119.800 -0.386 0.000 2.062 120 Q HA -0.161 3.813 4.340 -0.608 0.000 0.196 120 Q C 1.381 176.668 176.000 -1.188 0.000 0.967 120 Q CA 2.676 58.030 55.803 -0.749 0.000 0.832 120 Q CB 0.990 29.231 28.738 -0.829 0.000 0.899 120 Q HN -0.539 7.605 8.270 -0.210 0.000 0.442 121 F N -6.530 113.097 119.950 -0.537 0.000 2.682 121 F HA 0.126 4.199 4.527 -0.757 0.000 0.308 121 F C -1.024 174.474 175.800 -0.504 0.000 1.093 121 F CA 0.210 57.827 58.000 -0.638 0.000 1.244 121 F CB 1.472 40.191 39.000 -0.469 0.000 1.052 121 F HN -0.346 7.832 8.300 -0.203 0.000 0.573 122 H N -4.524 114.563 119.070 0.028 0.000 2.820 122 H HA -0.399 4.302 4.556 0.030 -0.127 0.295 122 H C -1.406 173.966 175.328 0.074 0.000 1.187 122 H CA 0.882 56.950 56.048 0.034 0.000 1.144 122 H CB -3.511 26.257 29.762 0.010 0.000 1.354 122 H HN -0.164 7.669 8.280 -0.603 0.085 0.395 123 L N -1.571 119.741 121.223 0.148 0.000 2.329 123 L HA 0.242 4.672 4.340 0.151 0.000 0.279 123 L C 0.214 177.160 176.870 0.127 0.000 1.014 123 L CA -1.092 53.834 54.840 0.144 0.000 0.814 123 L CB 1.366 43.504 42.059 0.131 0.000 1.257 123 L HN -0.931 7.355 8.230 0.125 0.019 0.424 124 R N 0.924 121.496 120.500 0.119 0.000 2.223 124 R HA -0.055 4.339 4.340 0.090 0.000 0.198 124 R C -0.102 176.249 176.300 0.085 0.000 0.984 124 R CA 1.351 57.509 56.100 0.096 0.000 1.018 124 R CB 0.828 31.180 30.300 0.086 0.000 0.945 124 R HN 0.507 8.853 8.270 0.128 0.000 0.479 125 E N -4.433 115.829 120.200 0.104 0.000 2.433 125 E HA 0.170 4.522 4.350 0.002 0.000 0.278 125 E C -1.494 175.144 176.600 0.064 0.000 0.976 125 E CA -1.221 55.199 56.400 0.034 0.000 0.793 125 E CB 3.912 33.596 29.700 -0.028 0.000 1.311 125 E HN -0.733 7.711 8.360 0.141 0.000 0.460 126 I N -0.175 120.350 120.570 -0.074 0.000 2.499 126 I HA 0.128 4.428 4.170 0.216 0.000 0.288 126 I C -2.013 174.023 176.117 -0.134 0.000 1.048 126 I CA -0.916 60.401 61.300 0.028 0.000 1.062 126 I CB 2.702 40.698 38.000 -0.006 0.000 1.238 126 I HN 0.101 8.203 8.210 -0.180 0.000 0.426 127 H N 4.891 123.938 119.070 -0.038 0.000 2.740 127 H HA 0.220 4.737 4.556 -0.065 0.000 0.265 127 H C -0.690 174.547 175.328 -0.151 0.000 0.978 127 H CA -0.311 55.692 56.048 -0.075 0.000 1.198 127 H CB 1.662 31.387 29.762 -0.062 0.000 1.467 127 H HN 0.470 9.061 8.280 0.519 0.000 0.511 128 S N -2.112 113.564 115.700 -0.040 0.000 2.547 128 S HA 0.233 4.524 4.470 -0.299 0.000 0.270 128 S C -2.389 172.162 174.600 -0.081 0.000 1.150 128 S CA -0.343 57.704 58.200 -0.255 0.000 0.850 128 S CB 1.377 64.204 63.200 -0.621 0.000 1.118 128 S HN -0.798 7.545 8.310 0.056 0.000 0.461 129 C N -0.516 118.752 119.300 -0.053 0.000 3.283 129 C HA 0.451 5.197 4.460 0.346 -0.079 0.359 129 C C -2.224 172.845 174.990 0.133 0.000 1.160 129 C CA -0.963 58.115 59.018 0.101 0.000 1.232 129 C CB 4.062 31.718 27.740 -0.139 0.000 1.571 129 C HN 0.684 8.835 8.230 -0.131 0.000 0.522 130 K N 2.715 123.194 120.400 0.132 0.000 2.535 130 K HA 0.387 4.713 4.320 0.010 0.000 0.253 130 K C -1.872 174.633 176.600 -0.158 0.000 0.953 130 K CA -1.225 55.060 56.287 -0.002 0.000 0.863 130 K CB 2.856 35.310 32.500 -0.075 0.000 1.111 130 K HN 0.372 8.733 8.250 0.186 0.000 0.431 131 V N 6.462 126.214 119.914 -0.271 0.000 2.513 131 V HA 0.264 4.090 4.120 -0.489 0.000 0.299 131 V C -2.488 173.408 176.094 -0.329 0.000 1.035 131 V CA -1.907 60.102 62.300 -0.484 0.000 0.889 131 V CB 2.223 33.520 31.823 -0.878 0.000 0.988 131 V HN 0.574 8.629 8.190 -0.224 0.000 0.440 132 V N 7.385 127.140 119.914 -0.265 0.000 2.327 132 V HA 0.340 4.395 4.120 -0.109 0.000 0.272 132 V C -1.496 174.562 176.094 -0.061 0.000 1.019 132 V CA -1.030 61.193 62.300 -0.128 0.000 0.814 132 V CB -0.966 30.806 31.823 -0.084 0.000 1.040 132 V HN -0.027 7.987 8.190 -0.293 0.000 0.440 133 E N 7.983 128.174 120.200 -0.015 0.000 3.730 133 E HA 0.139 4.563 4.350 0.123 0.000 0.233 133 E C -1.255 175.432 176.600 0.143 0.000 1.281 133 E CA 0.569 57.054 56.400 0.141 0.000 1.519 133 E CB 1.792 31.746 29.700 0.424 0.000 2.292 133 E HN 0.245 8.571 8.360 -0.056 0.000 0.655 134 G N -0.263 108.660 108.800 0.204 0.000 4.169 134 G HA2 0.018 4.047 3.960 0.115 0.000 0.120 134 G HA3 0.018 4.069 3.960 0.152 0.000 0.120 134 G C -1.724 173.305 174.900 0.216 0.000 1.133 134 G CA 0.810 46.010 45.100 0.166 0.000 1.098 134 G HN -0.008 8.461 8.290 0.299 0.000 0.379 135 T N 4.275 118.988 114.554 0.266 0.000 2.786 135 T HA 0.701 5.376 4.350 0.242 -0.180 0.283 135 T C -1.927 172.981 174.700 0.347 0.000 0.992 135 T CA -1.523 60.728 62.100 0.251 0.000 0.954 135 T CB 0.649 69.596 68.868 0.131 0.000 0.934 135 T HN -0.184 8.206 8.240 0.249 0.000 0.440 136 W N 7.036 128.361 121.300 0.042 0.000 2.864 136 W HA 0.369 5.020 4.660 -0.015 0.000 0.343 136 W C -1.762 174.756 176.519 -0.002 0.000 1.109 136 W CA -1.350 55.987 57.345 -0.012 0.000 1.192 136 W CB 4.078 33.501 29.460 -0.062 0.000 1.426 136 W HN 0.316 8.746 8.180 0.417 0.000 0.529 137 I N -0.362 120.228 120.570 0.034 0.000 2.509 137 I HA 0.674 5.103 4.170 0.139 -0.176 0.293 137 I C -1.520 174.494 176.117 -0.170 0.000 1.020 137 I CA -1.141 60.150 61.300 -0.015 0.000 1.088 137 I CB 3.132 41.075 38.000 -0.094 0.000 1.267 137 I HN 0.360 8.521 8.210 -0.081 0.000 0.430 138 F N 4.300 124.315 119.950 0.108 0.000 2.508 138 F HA 0.624 5.619 4.527 0.544 -0.141 0.325 138 F C -0.784 174.979 175.800 -0.061 0.000 1.090 138 F CA -1.876 56.301 58.000 0.296 0.000 0.945 138 F CB 3.762 43.102 39.000 0.565 0.000 1.156 138 F HN 0.613 9.113 8.300 0.333 0.000 0.463 139 Y N -0.566 120.027 120.300 0.488 0.000 2.446 139 Y HA 0.484 5.360 4.550 0.287 -0.154 0.345 139 Y C 0.313 176.378 175.900 0.276 0.000 0.984 139 Y CA -1.772 56.521 58.100 0.320 0.000 1.058 139 Y CB 2.667 41.278 38.460 0.251 0.000 1.220 139 Y HN 1.057 9.751 8.280 0.871 0.109 0.455 140 E N 2.749 123.153 120.200 0.339 0.000 2.208 140 E HA -0.091 4.386 4.350 0.211 0.000 0.193 140 E C -0.133 176.571 176.600 0.174 0.000 0.988 140 E CA 1.759 58.294 56.400 0.225 0.000 0.828 140 E CB 0.991 30.796 29.700 0.174 0.000 0.763 140 E HN 0.232 8.774 8.360 0.305 0.000 0.478 141 L N -1.204 120.121 121.223 0.169 0.000 2.333 141 L HA 0.557 4.941 4.340 0.074 0.000 0.269 141 L C -2.277 174.616 176.870 0.040 0.000 1.010 141 L CA -3.205 51.688 54.840 0.088 0.000 0.818 141 L CB 1.753 43.850 42.059 0.063 0.000 1.306 141 L HN -0.241 8.119 8.230 0.217 0.000 0.430 142 P HA -0.127 4.328 4.420 -0.143 -0.121 0.271 142 P C 0.115 177.240 177.300 -0.291 0.000 1.238 142 P CA 0.064 63.078 63.100 -0.142 0.000 0.794 142 P CB 0.485 32.117 31.700 -0.113 0.000 0.959 143 N N -1.842 116.511 118.700 -0.578 0.000 2.725 143 N HA -0.467 3.512 4.740 -1.267 0.000 0.249 143 N C -1.747 173.242 175.510 -0.867 0.000 1.103 143 N CA 1.140 53.681 53.050 -0.849 0.000 0.707 143 N CB -0.901 37.369 38.487 -0.361 0.000 1.043 143 N HN 0.016 8.051 8.380 -0.575 0.000 0.553 144 Y N -9.471 110.629 120.300 -0.333 0.000 3.125 144 Y HA -0.387 3.439 4.550 -1.206 0.000 0.200 144 Y C -1.175 174.567 175.900 -0.264 0.000 1.373 144 Y CA 0.854 58.496 58.100 -0.764 0.000 1.180 144 Y CB -3.280 34.602 38.460 -0.962 0.000 1.381 144 Y HN -0.102 7.580 8.280 -0.955 0.025 0.501 145 R N -1.986 118.537 120.500 0.040 0.000 2.888 145 R HA 0.364 4.794 4.340 0.151 0.000 0.266 145 R C -0.551 175.859 176.300 0.183 0.000 1.020 145 R CA -2.238 53.934 56.100 0.119 0.000 0.963 145 R CB 3.696 34.018 30.300 0.037 0.000 1.197 145 R HN -0.614 7.659 8.270 0.005 0.000 0.481 146 G N -1.236 107.652 108.800 0.147 0.000 2.660 146 G HA2 -0.373 3.641 3.960 0.091 0.000 0.215 146 G HA3 -0.373 3.660 3.960 0.122 0.000 0.215 146 G C -0.939 174.017 174.900 0.092 0.000 1.345 146 G CA -0.652 44.518 45.100 0.118 0.000 0.877 146 G HN 0.225 8.593 8.290 0.130 0.000 0.549 147 R N 2.618 123.137 120.500 0.033 0.000 2.590 147 R HA -0.025 4.201 4.340 -0.190 0.000 0.274 147 R C -0.838 175.373 176.300 -0.149 0.000 1.061 147 R CA 0.494 56.520 56.100 -0.123 0.000 1.081 147 R CB 0.943 31.148 30.300 -0.159 0.000 0.984 147 R HN 0.249 8.553 8.270 0.056 0.000 0.448 148 Q N 3.168 122.753 119.800 -0.357 0.000 2.306 148 Q HA 0.842 5.226 4.340 -0.239 -0.187 0.265 148 Q C -0.714 174.962 176.000 -0.541 0.000 1.022 148 Q CA -1.467 54.114 55.803 -0.370 0.000 0.853 148 Q CB 3.323 31.827 28.738 -0.391 0.000 1.327 148 Q HN 0.271 8.279 8.270 -0.438 0.000 0.449 149 Y N -0.121 120.120 120.300 -0.098 0.000 2.391 149 Y HA 0.214 4.736 4.550 -0.047 0.000 0.341 149 Y C -1.095 174.980 175.900 0.291 0.000 0.965 149 Y CA -1.216 56.898 58.100 0.023 0.000 1.067 149 Y CB 3.469 41.797 38.460 -0.220 0.000 1.199 149 Y HN 0.810 9.046 8.280 0.105 0.107 0.450 150 L N 4.004 125.473 121.223 0.410 0.000 2.264 150 L HA 0.583 5.290 4.340 0.345 -0.160 0.289 150 L C -1.170 176.000 176.870 0.500 0.000 1.044 150 L CA -1.269 53.798 54.840 0.379 0.000 0.807 150 L CB 1.712 43.905 42.059 0.222 0.000 1.192 150 L HN 0.460 8.881 8.230 0.319 0.000 0.425 151 L N 6.992 128.483 121.223 0.447 0.000 2.325 151 L HA 0.290 4.705 4.340 0.124 0.000 0.279 151 L C -1.599 175.381 176.870 0.183 0.000 1.054 151 L CA -0.410 54.545 54.840 0.191 0.000 0.804 151 L CB 2.627 44.693 42.059 0.012 0.000 1.200 151 L HN 0.728 9.242 8.230 0.474 0.000 0.436 152 D N 5.156 125.649 120.400 0.156 0.000 2.825 152 D HA 0.349 5.249 4.640 0.151 -0.170 0.249 152 D C -0.536 175.827 176.300 0.106 0.000 1.286 152 D CA 0.636 54.725 54.000 0.149 0.000 1.168 152 D CB 1.917 42.808 40.800 0.152 0.000 0.926 152 D HN -0.186 8.284 8.370 0.168 0.000 0.216 153 K N -0.960 119.503 120.400 0.105 0.000 3.439 153 K HA 0.131 4.469 4.320 0.030 0.000 0.170 153 K C -1.174 175.445 176.600 0.032 0.000 1.035 153 K CA -0.235 56.083 56.287 0.052 0.000 0.794 153 K CB -0.247 32.269 32.500 0.026 0.000 0.795 153 K HN 0.085 8.407 8.250 0.120 0.000 0.519 154 K N 0.207 120.647 120.400 0.067 0.000 2.316 154 K HA 0.154 4.393 4.320 -0.136 0.000 0.234 154 K C -1.552 174.906 176.600 -0.237 0.000 1.054 154 K CA -1.212 54.968 56.287 -0.179 0.000 0.879 154 K CB 2.305 34.552 32.500 -0.422 0.000 1.252 154 K HN -0.294 8.116 8.250 0.268 0.000 0.471 155 E N 0.558 120.558 120.200 -0.334 0.000 2.081 155 E HA 0.145 4.537 4.350 0.070 0.000 0.276 155 E C -1.371 175.075 176.600 -0.255 0.000 0.950 155 E CA -0.883 55.440 56.400 -0.128 0.000 0.776 155 E CB 0.374 30.036 29.700 -0.064 0.000 1.094 155 E HN 0.172 8.328 8.360 -0.339 0.000 0.402 156 Y N 4.500 124.815 120.300 0.025 0.000 2.367 156 Y HA 0.108 4.853 4.550 -0.022 -0.207 0.342 156 Y C -0.015 175.817 175.900 -0.112 0.000 0.979 156 Y CA -0.595 57.478 58.100 -0.045 0.000 1.161 156 Y CB 0.389 38.781 38.460 -0.112 0.000 1.155 156 Y HN 0.353 8.940 8.280 0.513 0.000 0.503 157 R N 3.163 123.665 120.500 0.002 0.000 2.223 157 R HA -0.009 4.176 4.340 -0.257 0.000 0.198 157 R C -1.133 175.100 176.300 -0.113 0.000 0.984 157 R CA 0.742 56.778 56.100 -0.107 0.000 1.018 157 R CB 1.301 31.578 30.300 -0.039 0.000 0.945 157 R HN 0.086 8.503 8.270 0.005 -0.144 0.479 158 K N -4.563 115.822 120.400 -0.025 0.000 2.385 158 K HA 0.420 4.716 4.320 -0.040 0.000 0.248 158 K C -1.231 175.389 176.600 0.033 0.000 0.955 158 K CA -3.333 52.947 56.287 -0.011 0.000 0.816 158 K CB 1.936 34.437 32.500 0.002 0.000 1.250 158 K HN -0.616 7.649 8.250 0.025 0.000 0.434 159 P HA -0.164 4.287 4.420 0.050 0.000 0.215 159 P C 0.965 178.292 177.300 0.044 0.000 1.153 159 P CA 2.278 65.389 63.100 0.018 0.000 0.853 159 P CB 0.004 31.671 31.700 -0.055 0.000 0.788 160 V N -1.685 118.244 119.914 0.025 0.000 2.720 160 V HA -0.243 4.064 4.120 -0.005 -0.190 0.256 160 V C 2.243 178.396 176.094 0.099 0.000 1.082 160 V CA 2.849 65.167 62.300 0.030 0.000 1.101 160 V CB -0.426 31.407 31.823 0.016 0.000 0.693 160 V HN -0.118 8.079 8.190 0.012 0.000 0.479 161 D N 0.685 121.173 120.400 0.148 0.000 2.310 161 D HA -0.236 4.490 4.640 0.142 0.000 0.212 161 D C 0.202 176.773 176.300 0.452 0.000 0.965 161 D CA 2.037 56.168 54.000 0.217 0.000 0.879 161 D CB -0.197 40.709 40.800 0.176 0.000 0.921 161 D HN -0.231 8.051 8.370 0.121 0.161 0.510 162 W N -1.150 120.252 121.300 0.169 0.000 3.316 162 W HA 0.056 4.897 4.660 0.303 0.000 0.327 162 W C -0.053 176.485 176.519 0.031 0.000 1.232 162 W CA -1.606 55.785 57.345 0.077 0.000 1.805 162 W CB 0.599 29.889 29.460 -0.285 0.000 1.090 162 W HN -0.523 7.691 8.180 0.353 0.179 0.654 163 G N -1.652 107.223 108.800 0.125 0.000 2.162 163 G HA2 -0.391 3.597 3.960 0.048 0.000 0.260 163 G HA3 -0.391 3.600 3.960 0.053 0.000 0.260 163 G C -1.436 173.381 174.900 -0.139 0.000 0.976 163 G CA 0.287 45.395 45.100 0.013 0.000 0.655 163 G HN -0.303 7.891 8.290 0.176 0.201 0.533 164 A N -0.643 121.999 122.820 -0.297 0.000 2.306 164 A HA 0.369 4.431 4.320 -0.430 0.000 0.314 164 A C -0.817 176.632 177.584 -0.225 0.000 1.164 164 A CA -1.301 50.467 52.037 -0.447 0.000 0.822 164 A CB 1.524 20.045 19.000 -0.798 0.000 1.130 164 A HN -0.873 7.086 8.150 -0.218 0.060 0.496 165 A N 0.698 123.413 122.820 -0.175 0.000 2.178 165 A HA 0.043 4.316 4.320 -0.078 0.000 0.211 165 A C -0.679 176.837 177.584 -0.112 0.000 1.157 165 A CA 1.178 53.154 52.037 -0.102 0.000 0.780 165 A CB 0.003 18.966 19.000 -0.062 0.000 0.828 165 A HN 0.574 8.615 8.150 -0.181 0.000 0.476 166 S N -2.111 113.488 115.700 -0.168 0.000 2.541 166 S HA 0.291 4.689 4.470 -0.119 0.000 0.271 166 S C -2.341 172.127 174.600 -0.220 0.000 1.133 166 S CA -2.827 55.282 58.200 -0.152 0.000 0.876 166 S CB 2.078 65.210 63.200 -0.113 0.000 1.105 166 S HN -0.518 7.604 8.310 -0.237 0.045 0.470 167 P HA 0.017 4.273 4.420 -0.275 0.000 0.258 167 P C -1.590 175.558 177.300 -0.252 0.000 1.403 167 P CA -0.017 62.897 63.100 -0.310 0.000 0.826 167 P CB 0.270 31.633 31.700 -0.563 0.000 1.414 168 A N 0.130 122.840 122.820 -0.184 0.000 2.354 168 A HA 0.060 4.335 4.320 -0.075 0.000 0.281 168 A C -1.414 176.134 177.584 -0.060 0.000 1.174 168 A CA -0.427 51.553 52.037 -0.096 0.000 0.828 168 A CB 0.859 19.825 19.000 -0.056 0.000 1.099 168 A HN -0.107 7.818 8.150 -0.190 0.112 0.516 169 I N 2.042 122.627 120.570 0.025 0.000 2.610 169 I HA 0.113 4.380 4.170 0.162 0.000 0.289 169 I C -1.106 175.137 176.117 0.210 0.000 1.163 169 I CA -0.725 60.664 61.300 0.147 0.000 1.044 169 I CB 2.217 40.328 38.000 0.184 0.000 1.251 169 I HN 0.144 8.368 8.210 0.024 0.000 0.424 170 Q N 1.946 121.895 119.800 0.249 0.000 2.316 170 Q HA 0.335 4.782 4.340 0.178 0.000 0.235 170 Q C -0.245 175.900 176.000 0.241 0.000 0.863 170 Q CA -0.267 55.657 55.803 0.203 0.000 0.939 170 Q CB 2.940 31.753 28.738 0.126 0.000 1.108 170 Q HN 0.284 8.721 8.270 0.278 0.000 0.522 171 S N -1.809 114.116 115.700 0.375 0.000 2.588 171 S HA 0.465 5.139 4.470 0.211 -0.077 0.269 171 S C -2.471 172.499 174.600 0.617 0.000 1.157 171 S CA -0.465 57.927 58.200 0.321 0.000 0.824 171 S CB 2.299 65.531 63.200 0.054 0.000 1.126 171 S HN -0.568 8.032 8.310 0.483 0.000 0.464 172 F N -1.633 118.568 119.950 0.418 0.000 2.654 172 F HA 0.972 5.873 4.527 0.372 -0.151 0.308 172 F C -2.685 173.183 175.800 0.113 0.000 1.108 172 F CA -1.694 56.432 58.000 0.210 0.000 0.957 172 F CB 3.539 42.395 39.000 -0.239 0.000 1.309 172 F HN 0.446 8.636 8.300 -0.182 0.000 0.446 173 R N -0.766 119.871 120.500 0.228 0.000 2.668 173 R HA 0.449 4.674 4.340 -0.192 0.000 0.272 173 R C -1.886 174.214 176.300 -0.333 0.000 1.019 173 R CA -1.222 54.807 56.100 -0.119 0.000 0.894 173 R CB 5.179 35.316 30.300 -0.271 0.000 1.228 173 R HN 0.452 8.887 8.270 0.276 0.000 0.460 174 R N 2.334 122.512 120.500 -0.538 0.000 2.459 174 R HA 0.008 3.635 4.340 -1.189 0.000 0.281 174 R C -0.599 175.471 176.300 -0.383 0.000 1.050 174 R CA -0.283 55.350 56.100 -0.778 0.000 1.055 174 R CB 1.018 30.861 30.300 -0.761 0.000 1.045 174 R HN 0.305 8.322 8.270 -0.421 0.000 0.495 175 I N 5.289 125.680 120.570 -0.299 0.000 2.331 175 I HA 0.027 4.129 4.170 -0.113 0.000 0.292 175 I C -1.115 174.946 176.117 -0.094 0.000 0.998 175 I CA 0.062 61.283 61.300 -0.131 0.000 1.267 175 I CB -0.118 37.848 38.000 -0.058 0.000 1.386 175 I HN -0.024 7.957 8.210 -0.381 0.000 0.476 176 V N 4.604 124.479 119.914 -0.065 0.000 2.925 176 V HA 0.286 4.391 4.120 -0.026 0.000 0.311 176 V C -0.223 175.863 176.094 -0.013 0.000 1.104 176 V CA -1.636 60.642 62.300 -0.037 0.000 0.954 176 V CB 1.992 33.786 31.823 -0.047 0.000 1.022 176 V HN 0.092 8.244 8.190 -0.064 0.000 0.427 177 E N 0.000 120.200 120.200 0.000 0.000 2.725 177 E HA 0.000 4.361 4.350 0.019 0.000 0.291 177 E CA 0.000 56.407 56.400 0.012 0.000 0.976 177 E CB 0.000 29.709 29.700 0.015 0.000 0.812 177 E HN 0.000 8.361 8.360 0.001 0.000 0.440