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 1jfg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP DATA SEQUENCE RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLD DATA SEQUENCE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL DATA SEQUENCE IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ DATA SEQUENCE FNERSLFLEI TSAIAQMENW MVWVNDLMSF YKEFDDERDQ ISLVKNYVVS DATA SEQUENCE DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGYVTWHL DATA SEQUENCE CDRRYRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ DATA SEQUENCE LANV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.455 176.300 0.258 0.000 1.140 1 M CA 0.000 55.434 55.300 0.223 0.000 0.988 1 M CB 0.000 32.672 32.600 0.119 0.000 1.302 2 E N 2.531 122.838 120.200 0.177 0.000 2.007 2 E HA -0.012 4.338 4.350 0.001 0.000 0.194 2 E C 0.144 176.908 176.600 0.273 0.000 0.999 2 E CA 1.835 58.334 56.400 0.165 0.000 0.811 2 E CB 0.214 29.974 29.700 0.099 0.000 0.762 2 E HN 0.486 nan 8.360 nan 0.000 0.450 3 N N -0.836 117.997 118.700 0.220 0.000 2.463 3 N HA 0.195 4.936 4.740 0.001 0.000 0.270 3 N C -0.916 174.691 175.510 0.161 0.000 1.205 3 N CA -0.417 52.749 53.050 0.192 0.000 0.974 3 N CB 0.313 38.864 38.487 0.107 0.000 1.197 3 N HN 0.074 nan 8.380 nan 0.000 0.504 4 F N 1.202 121.020 119.950 -0.220 0.000 2.412 4 F HA 0.381 4.908 4.527 0.001 0.000 0.348 4 F C -1.902 173.780 175.800 -0.197 0.000 1.102 4 F CA -2.340 55.277 58.000 -0.639 0.000 1.196 4 F CB 0.914 39.519 39.000 -0.659 0.000 1.144 4 F HN 0.440 nan 8.300 nan 0.000 0.541 5 P HA 0.083 nan 4.420 nan 0.000 0.235 5 P C 0.575 177.703 177.300 -0.288 0.000 1.765 5 P CA 0.344 63.250 63.100 -0.323 0.000 1.034 5 P CB -0.213 31.427 31.700 -0.100 0.000 1.984 6 T N -0.798 113.725 114.554 -0.052 0.000 2.699 6 T HA -0.219 4.132 4.350 0.001 0.000 0.268 6 T C 1.654 176.421 174.700 0.111 0.000 1.036 6 T CA 1.493 63.692 62.100 0.165 0.000 1.147 6 T CB -0.242 68.731 68.868 0.174 0.000 0.862 6 T HN 0.272 nan 8.240 nan 0.000 0.446 7 E N 0.153 120.399 120.200 0.076 0.000 2.107 7 E HA -0.063 4.288 4.350 0.001 0.000 0.191 7 E C 1.817 178.485 176.600 0.114 0.000 0.982 7 E CA 0.643 57.084 56.400 0.069 0.000 0.809 7 E CB -0.418 29.315 29.700 0.056 0.000 0.756 7 E HN 0.577 nan 8.360 nan 0.000 0.459 8 Y N -0.267 120.021 120.300 -0.020 0.000 2.242 8 Y HA -0.105 4.445 4.550 0.001 0.000 0.291 8 Y C 1.832 177.714 175.900 -0.030 0.000 1.137 8 Y CA 1.297 59.378 58.100 -0.032 0.000 1.181 8 Y CB -0.720 37.722 38.460 -0.030 0.000 0.989 8 Y HN 0.168 nan 8.280 nan 0.000 0.527 9 F N 0.134 119.947 119.950 -0.227 0.000 2.102 9 F HA -0.201 4.327 4.527 0.001 0.000 0.298 9 F C 2.025 177.686 175.800 -0.232 0.000 1.105 9 F CA 1.635 59.464 58.000 -0.285 0.000 1.239 9 F CB -0.685 38.255 39.000 -0.099 0.000 0.991 9 F HN 0.035 nan 8.300 nan 0.000 0.474 10 L N 0.168 121.268 121.223 -0.205 0.000 2.012 10 L HA -0.280 4.060 4.340 0.001 0.000 0.210 10 L C 2.336 179.080 176.870 -0.211 0.000 1.073 10 L CA 1.882 56.530 54.840 -0.320 0.000 0.748 10 L CB -1.002 40.944 42.059 -0.187 0.000 0.891 10 L HN 0.263 nan 8.230 nan 0.000 0.431 11 N N -0.327 118.302 118.700 -0.119 0.000 2.069 11 N HA -0.185 4.556 4.740 0.001 0.000 0.191 11 N C 1.664 177.088 175.510 -0.143 0.000 1.031 11 N CA 2.262 55.276 53.050 -0.060 0.000 0.852 11 N CB -0.172 38.331 38.487 0.026 0.000 1.018 11 N HN 0.136 nan 8.380 nan 0.000 0.423 12 T N -1.015 113.363 114.554 -0.293 0.000 2.746 12 T HA -0.084 4.267 4.350 0.001 0.000 0.267 12 T C 1.699 176.178 174.700 -0.369 0.000 1.039 12 T CA 1.815 63.692 62.100 -0.370 0.000 1.142 12 T CB -0.734 67.804 68.868 -0.550 0.000 0.866 12 T HN 0.344 nan 8.240 nan 0.000 0.444 13 T N 1.812 116.087 114.554 -0.465 0.000 2.821 13 T HA -0.051 4.300 4.350 0.001 0.000 0.267 13 T C 2.173 176.766 174.700 -0.178 0.000 1.046 13 T CA 0.778 62.636 62.100 -0.403 0.000 1.139 13 T CB -0.431 68.111 68.868 -0.544 0.000 0.871 13 T HN 0.163 nan 8.240 nan 0.000 0.454 14 V N 1.242 121.129 119.914 -0.045 0.000 2.427 14 V HA -0.120 4.001 4.120 0.001 0.000 0.248 14 V C 2.590 178.743 176.094 0.097 0.000 1.051 14 V CA 1.500 63.894 62.300 0.156 0.000 1.048 14 V CB -0.528 31.439 31.823 0.240 0.000 0.666 14 V HN 0.342 nan 8.190 nan 0.000 0.456 15 R N -0.412 120.081 120.500 -0.012 0.000 2.073 15 R HA -0.156 4.184 4.340 0.001 0.000 0.234 15 R C 2.254 178.435 176.300 -0.199 0.000 1.134 15 R CA 1.618 57.686 56.100 -0.053 0.000 0.952 15 R CB -0.639 29.526 30.300 -0.225 0.000 0.850 15 R HN 0.398 nan 8.270 nan 0.000 0.433 16 L N 1.143 122.204 121.223 -0.269 0.000 2.012 16 L HA -0.179 4.161 4.340 0.001 0.000 0.210 16 L C 1.862 178.714 176.870 -0.031 0.000 1.073 16 L CA 1.793 56.519 54.840 -0.189 0.000 0.748 16 L CB -0.487 41.451 42.059 -0.201 0.000 0.891 16 L HN 0.178 nan 8.230 nan 0.000 0.431 17 L N -0.832 120.289 121.223 -0.170 0.000 2.131 17 L HA -0.181 4.160 4.340 0.001 0.000 0.210 17 L C 2.529 179.372 176.870 -0.044 0.000 1.092 17 L CA 1.469 56.119 54.840 -0.316 0.000 0.759 17 L CB -0.622 40.768 42.059 -1.115 0.000 0.903 17 L HN 0.429 nan 8.230 nan 0.000 0.435 18 E N -0.846 119.446 120.200 0.153 0.000 2.112 18 E HA -0.183 4.167 4.350 0.001 0.000 0.190 18 E C 2.141 178.959 176.600 0.365 0.000 0.979 18 E CA 0.840 57.436 56.400 0.327 0.000 0.814 18 E CB -0.046 29.882 29.700 0.379 0.000 0.762 18 E HN 0.389 nan 8.360 nan 0.000 0.460 19 Y N 1.041 121.423 120.300 0.136 0.000 2.207 19 Y HA -0.150 4.401 4.550 0.001 0.000 0.287 19 Y C 2.251 178.248 175.900 0.163 0.000 1.156 19 Y CA 0.925 59.113 58.100 0.147 0.000 1.182 19 Y CB -0.411 38.146 38.460 0.162 0.000 0.979 19 Y HN 0.140 nan 8.280 nan 0.000 0.521 20 I N -2.085 118.704 120.570 0.365 0.000 3.793 20 I HA 0.198 4.368 4.170 0.001 0.000 0.315 20 I C 0.185 176.538 176.117 0.394 0.000 1.275 20 I CA 0.054 61.542 61.300 0.313 0.000 1.214 20 I CB -0.269 37.934 38.000 0.338 0.000 1.018 20 I HN -0.000 nan 8.210 nan 0.000 0.439 21 R N -0.116 120.572 120.500 0.313 0.000 3.423 21 R HA -0.266 4.075 4.340 0.001 0.000 0.271 21 R C -0.480 175.922 176.300 0.170 0.000 1.093 21 R CA 0.366 56.626 56.100 0.266 0.000 0.730 21 R CB -2.999 27.444 30.300 0.237 0.000 1.190 21 R HN 0.560 nan 8.270 nan 0.000 0.437 22 Y N 2.788 123.012 120.300 -0.127 0.000 2.865 22 Y HA -0.110 4.440 4.550 0.001 0.000 0.338 22 Y C 0.976 176.715 175.900 -0.270 0.000 1.269 22 Y CA 0.989 58.735 58.100 -0.590 0.000 1.585 22 Y CB 0.298 38.457 38.460 -0.501 0.000 1.224 22 Y HN 0.318 nan 8.280 nan 0.000 0.554 23 R N 3.116 123.114 120.500 -0.836 0.000 2.712 23 R HA 0.361 4.701 4.340 0.001 0.000 0.272 23 R C -1.574 174.490 176.300 -0.393 0.000 1.032 23 R CA -1.139 54.718 56.100 -0.405 0.000 0.874 23 R CB 0.694 30.915 30.300 -0.132 0.000 1.256 23 R HN 0.370 nan 8.270 nan 0.000 0.468 24 D N 1.362 121.630 120.400 -0.221 0.000 2.443 24 D HA 0.129 4.770 4.640 0.001 0.000 0.234 24 D C 0.064 176.313 176.300 -0.085 0.000 1.172 24 D CA 0.726 54.636 54.000 -0.150 0.000 0.878 24 D CB 0.941 41.690 40.800 -0.085 0.000 1.204 24 D HN 0.605 nan 8.370 nan 0.000 0.453 25 S N -0.195 115.478 115.700 -0.046 0.000 2.740 25 S HA 0.323 4.793 4.470 0.001 0.000 0.300 25 S C 0.461 175.079 174.600 0.030 0.000 1.147 25 S CA -0.814 57.393 58.200 0.012 0.000 0.871 25 S CB 1.114 64.349 63.200 0.059 0.000 1.173 25 S HN 0.370 nan 8.310 nan 0.000 0.510 26 N N -0.450 118.276 118.700 0.043 0.000 2.521 26 N HA -0.014 4.727 4.740 0.001 0.000 0.188 26 N C -0.356 175.220 175.510 0.109 0.000 1.146 26 N CA 0.134 53.211 53.050 0.046 0.000 0.893 26 N CB -0.382 38.116 38.487 0.019 0.000 0.975 26 N HN 0.558 nan 8.380 nan 0.000 0.451 27 Y N 3.097 123.370 120.300 -0.046 0.000 2.627 27 Y HA 0.218 4.768 4.550 0.001 0.000 0.347 27 Y C 0.666 176.520 175.900 -0.076 0.000 1.099 27 Y CA -1.634 56.431 58.100 -0.058 0.000 1.408 27 Y CB -0.878 37.543 38.460 -0.067 0.000 1.247 27 Y HN 0.130 nan 8.280 nan 0.000 0.506 28 T N 1.079 115.674 114.554 0.068 0.000 2.652 28 T HA 0.145 4.496 4.350 0.001 0.000 0.319 28 T C 1.443 176.034 174.700 -0.182 0.000 1.029 28 T CA -0.194 61.873 62.100 -0.055 0.000 0.990 28 T CB 0.961 69.824 68.868 -0.008 0.000 1.098 28 T HN 0.681 nan 8.240 nan 0.000 0.520 29 R N -0.290 120.133 120.500 -0.129 0.000 2.090 29 R HA 0.040 4.381 4.340 0.001 0.000 0.219 29 R C 2.414 178.659 176.300 -0.092 0.000 1.100 29 R CA 0.742 56.757 56.100 -0.141 0.000 0.991 29 R CB -0.216 30.034 30.300 -0.083 0.000 0.893 29 R HN 0.727 nan 8.270 nan 0.000 0.443 30 E N 0.792 120.967 120.200 -0.041 0.000 2.077 30 E HA -0.194 4.157 4.350 0.001 0.000 0.193 30 E C 1.679 178.282 176.600 0.005 0.000 0.989 30 E CA 1.706 58.104 56.400 -0.003 0.000 0.800 30 E CB -0.008 29.701 29.700 0.013 0.000 0.746 30 E HN 0.436 nan 8.360 nan 0.000 0.452 31 E N 0.088 120.291 120.200 0.005 0.000 2.106 31 E HA -0.166 4.185 4.350 0.001 0.000 0.192 31 E C 2.147 178.758 176.600 0.018 0.000 0.984 31 E CA 0.710 57.149 56.400 0.064 0.000 0.806 31 E CB -0.067 29.739 29.700 0.176 0.000 0.750 31 E HN 0.001 nan 8.360 nan 0.000 0.458 32 R N 1.054 121.448 120.500 -0.177 0.000 2.094 32 R HA -0.130 4.211 4.340 0.001 0.000 0.239 32 R C 2.222 178.447 176.300 -0.125 0.000 1.137 32 R CA 1.399 57.319 56.100 -0.300 0.000 0.943 32 R CB -0.402 29.644 30.300 -0.423 0.000 0.850 32 R HN 0.168 nan 8.270 nan 0.000 0.433 33 I N 0.220 120.751 120.570 -0.065 0.000 2.208 33 I HA -0.290 3.881 4.170 0.001 0.000 0.245 33 I C 2.061 178.245 176.117 0.112 0.000 1.097 33 I CA 1.527 62.840 61.300 0.022 0.000 1.363 33 I CB -0.360 37.690 38.000 0.083 0.000 1.051 33 I HN 0.341 nan 8.210 nan 0.000 0.413 34 E N 0.799 121.065 120.200 0.110 0.000 2.038 34 E HA -0.225 4.126 4.350 0.001 0.000 0.195 34 E C 1.946 178.667 176.600 0.203 0.000 1.000 34 E CA 1.404 57.905 56.400 0.168 0.000 0.803 34 E CB -0.094 29.678 29.700 0.121 0.000 0.750 34 E HN 0.467 nan 8.360 nan 0.000 0.448 35 N N 0.686 119.471 118.700 0.142 0.000 2.142 35 N HA -0.127 4.613 4.740 0.001 0.000 0.186 35 N C 2.003 177.596 175.510 0.138 0.000 1.023 35 N CA 0.801 53.944 53.050 0.155 0.000 0.852 35 N CB -0.338 38.248 38.487 0.166 0.000 0.998 35 N HN 0.127 nan 8.380 nan 0.000 0.424 36 L N 0.088 121.314 121.223 0.005 0.000 1.989 36 L HA -0.229 4.111 4.340 0.001 0.000 0.211 36 L C 2.436 179.426 176.870 0.201 0.000 1.071 36 L CA 1.533 56.256 54.840 -0.194 0.000 0.749 36 L CB -0.574 40.958 42.059 -0.878 0.000 0.890 36 L HN 0.259 nan 8.230 nan 0.000 0.431 37 H N -1.308 117.909 119.070 0.244 0.000 2.353 37 H HA -0.253 4.303 4.556 0.001 0.000 0.300 37 H C 2.082 177.562 175.328 0.253 0.000 1.090 37 H CA 1.873 58.105 56.048 0.306 0.000 1.327 37 H CB -0.194 29.701 29.762 0.220 0.000 1.383 37 H HN 0.308 nan 8.280 nan 0.000 0.508 38 Y N 0.331 120.668 120.300 0.063 0.000 2.145 38 Y HA -0.196 4.355 4.550 0.001 0.000 0.286 38 Y C 2.633 178.523 175.900 -0.017 0.000 1.145 38 Y CA 1.920 60.014 58.100 -0.010 0.000 1.148 38 Y CB -0.796 37.692 38.460 0.046 0.000 0.981 38 Y HN 0.324 nan 8.280 nan 0.000 0.507 39 A N -0.545 122.386 122.820 0.185 0.000 1.858 39 A HA -0.264 4.056 4.320 0.001 0.000 0.216 39 A C 2.151 179.767 177.584 0.055 0.000 1.190 39 A CA 1.804 53.910 52.037 0.114 0.000 0.617 39 A CB -1.681 17.402 19.000 0.138 0.000 0.827 39 A HN 0.709 nan 8.150 nan 0.000 0.443 40 Y N 1.219 121.555 120.300 0.060 0.000 2.097 40 Y HA -0.304 4.247 4.550 0.001 0.000 0.282 40 Y C 2.304 178.170 175.900 -0.057 0.000 1.152 40 Y CA 2.349 60.501 58.100 0.087 0.000 1.136 40 Y CB -0.617 37.995 38.460 0.253 0.000 0.975 40 Y HN 0.464 nan 8.280 nan 0.000 0.498 41 N N 0.374 118.945 118.700 -0.215 0.000 2.061 41 N HA -0.271 4.469 4.740 0.001 0.000 0.193 41 N C 1.986 177.383 175.510 -0.187 0.000 1.030 41 N CA 2.179 55.066 53.050 -0.272 0.000 0.856 41 N CB -0.416 37.810 38.487 -0.434 0.000 1.023 41 N HN 0.438 nan 8.380 nan 0.000 0.424 42 K N -0.520 119.699 120.400 -0.303 0.000 2.057 42 K HA -0.043 4.278 4.320 0.001 0.000 0.206 42 K C 1.884 178.407 176.600 -0.129 0.000 1.050 42 K CA 1.177 57.322 56.287 -0.236 0.000 0.935 42 K CB -0.256 32.067 32.500 -0.295 0.000 0.715 42 K HN 0.276 nan 8.250 nan 0.000 0.439 43 A N 1.130 123.855 122.820 -0.158 0.000 1.873 43 A HA -0.087 4.233 4.320 0.001 0.000 0.215 43 A C 2.343 179.894 177.584 -0.054 0.000 1.186 43 A CA 1.816 53.788 52.037 -0.110 0.000 0.616 43 A CB -0.873 18.111 19.000 -0.027 0.000 0.823 43 A HN 0.462 nan 8.150 nan 0.000 0.442 44 A N -0.824 121.831 122.820 -0.275 0.000 1.908 44 A HA -0.215 4.105 4.320 0.001 0.000 0.218 44 A C 1.960 179.442 177.584 -0.169 0.000 1.181 44 A CA 2.108 53.955 52.037 -0.317 0.000 0.627 44 A CB -0.931 17.636 19.000 -0.722 0.000 0.818 44 A HN 0.679 nan 8.150 nan 0.000 0.445 45 H N -2.007 116.969 119.070 -0.157 0.000 2.423 45 H HA -0.116 4.441 4.556 0.001 0.000 0.297 45 H C 2.054 177.328 175.328 -0.089 0.000 1.075 45 H CA 1.653 57.641 56.048 -0.100 0.000 1.342 45 H CB -0.176 29.527 29.762 -0.098 0.000 1.395 45 H HN 0.732 nan 8.280 nan 0.000 0.530 46 H N -0.191 118.810 119.070 -0.114 0.000 2.299 46 H HA -0.125 4.432 4.556 0.001 0.000 0.302 46 H C 1.262 176.404 175.328 -0.309 0.000 1.078 46 H CA 1.420 57.312 56.048 -0.260 0.000 1.323 46 H CB -0.296 29.191 29.762 -0.459 0.000 1.381 46 H HN 0.308 nan 8.280 nan 0.000 0.498 47 F N 0.799 120.679 119.950 -0.116 0.000 2.546 47 F HA 0.060 4.588 4.527 0.001 0.000 0.298 47 F C 2.588 178.293 175.800 -0.159 0.000 1.120 47 F CA 0.786 58.683 58.000 -0.171 0.000 1.456 47 F CB -0.270 38.648 39.000 -0.136 0.000 1.088 47 F HN 0.251 nan 8.300 nan 0.000 0.572 48 A N -0.919 121.888 122.820 -0.021 0.000 2.195 48 A HA 0.056 4.377 4.320 0.001 0.000 0.210 48 A C 1.051 178.597 177.584 -0.064 0.000 1.165 48 A CA -0.201 51.807 52.037 -0.048 0.000 0.806 48 A CB -0.450 18.489 19.000 -0.103 0.000 0.847 48 A HN 0.287 nan 8.150 nan 0.000 0.482 49 Q N 0.641 120.377 119.800 -0.106 0.000 2.361 49 Q HA 0.101 4.441 4.340 0.001 0.000 0.276 49 Q C -1.449 174.512 176.000 -0.065 0.000 1.022 49 Q CA -1.485 54.261 55.803 -0.094 0.000 0.898 49 Q CB 0.595 29.245 28.738 -0.148 0.000 1.246 49 Q HN 0.223 nan 8.270 nan 0.000 0.410 50 P HA -0.285 nan 4.420 nan 0.000 0.216 50 P C 0.995 178.284 177.300 -0.018 0.000 1.153 50 P CA 1.555 64.641 63.100 -0.022 0.000 0.858 50 P CB 0.106 31.797 31.700 -0.015 0.000 0.789 51 R N 0.115 120.599 120.500 -0.028 0.000 2.083 51 R HA -0.169 4.172 4.340 0.001 0.000 0.237 51 R C 2.450 178.748 176.300 -0.003 0.000 1.137 51 R CA 1.668 57.759 56.100 -0.015 0.000 0.951 51 R CB -0.597 29.691 30.300 -0.021 0.000 0.851 51 R HN 0.095 nan 8.270 nan 0.000 0.434 52 Q N 0.313 120.091 119.800 -0.036 0.000 2.079 52 Q HA -0.143 4.197 4.340 0.001 0.000 0.200 52 Q C 2.079 178.121 176.000 0.069 0.000 0.974 52 Q CA 1.155 56.965 55.803 0.012 0.000 0.840 52 Q CB -0.259 28.412 28.738 -0.112 0.000 0.898 52 Q HN 0.487 nan 8.270 nan 0.000 0.430 53 Q N 0.406 120.225 119.800 0.032 0.000 2.364 53 Q HA -0.162 4.178 4.340 0.001 0.000 0.209 53 Q C 1.798 177.820 176.000 0.038 0.000 0.977 53 Q CA 1.164 56.989 55.803 0.037 0.000 0.885 53 Q CB 0.109 28.854 28.738 0.011 0.000 0.941 53 Q HN 0.586 nan 8.270 nan 0.000 0.464 54 Q N -0.793 119.030 119.800 0.038 0.000 2.402 54 Q HA 0.064 4.405 4.340 0.001 0.000 0.231 54 Q C 1.575 177.605 176.000 0.051 0.000 0.888 54 Q CA 0.022 55.846 55.803 0.036 0.000 0.938 54 Q CB 0.488 29.240 28.738 0.022 0.000 1.086 54 Q HN 0.286 nan 8.270 nan 0.000 0.543 55 L N 0.694 121.959 121.223 0.070 0.000 2.477 55 L HA 0.211 4.551 4.340 0.001 0.000 0.220 55 L C 0.399 177.348 176.870 0.131 0.000 1.106 55 L CA -0.085 54.808 54.840 0.089 0.000 0.851 55 L CB 0.356 42.470 42.059 0.091 0.000 0.994 55 L HN 0.187 nan 8.230 nan 0.000 0.462 56 L N 2.066 123.379 121.223 0.150 0.000 2.288 56 L HA 0.233 4.573 4.340 0.001 0.000 0.283 56 L C -0.019 176.926 176.870 0.126 0.000 1.072 56 L CA -0.153 54.804 54.840 0.195 0.000 0.862 56 L CB 0.172 42.388 42.059 0.261 0.000 1.245 56 L HN -0.134 nan 8.230 nan 0.000 0.432 57 K N 5.043 125.509 120.400 0.111 0.000 2.278 57 K HA 0.447 4.767 4.320 0.001 0.000 0.289 57 K C -1.054 175.576 176.600 0.049 0.000 1.080 57 K CA -0.058 56.266 56.287 0.062 0.000 0.934 57 K CB 0.565 33.090 32.500 0.042 0.000 1.093 57 K HN 0.369 nan 8.250 nan 0.000 0.459 58 V N 0.596 120.527 119.914 0.028 0.000 2.969 58 V HA 0.088 4.209 4.120 0.001 0.000 0.304 58 V C -0.438 175.650 176.094 -0.011 0.000 1.192 58 V CA -1.469 60.834 62.300 0.004 0.000 0.962 58 V CB 2.262 34.077 31.823 -0.013 0.000 1.045 58 V HN 0.578 nan 8.190 nan 0.000 0.428 59 D N 4.567 124.956 120.400 -0.019 0.000 2.458 59 D HA 0.224 4.865 4.640 0.001 0.000 0.243 59 D C -1.483 174.799 176.300 -0.030 0.000 1.146 59 D CA -0.889 53.098 54.000 -0.022 0.000 0.877 59 D CB 1.750 42.535 40.800 -0.024 0.000 1.176 59 D HN 0.235 nan 8.370 nan 0.000 0.461 60 P HA -0.209 nan 4.420 nan 0.000 0.216 60 P C 0.910 178.188 177.300 -0.036 0.000 1.154 60 P CA 1.704 64.786 63.100 -0.031 0.000 0.865 60 P CB 0.145 31.832 31.700 -0.021 0.000 0.789 61 K N -0.692 119.689 120.400 -0.032 0.000 2.097 61 K HA -0.119 4.201 4.320 0.001 0.000 0.206 61 K C 2.199 178.775 176.600 -0.040 0.000 1.049 61 K CA 1.298 57.565 56.287 -0.034 0.000 0.933 61 K CB -0.241 32.240 32.500 -0.031 0.000 0.717 61 K HN 0.161 nan 8.250 nan 0.000 0.442 62 R N 0.481 120.955 120.500 -0.043 0.000 2.090 62 R HA -0.068 4.273 4.340 0.001 0.000 0.228 62 R C 2.354 178.615 176.300 -0.064 0.000 1.110 62 R CA 0.638 56.710 56.100 -0.046 0.000 0.973 62 R CB -0.422 29.853 30.300 -0.041 0.000 0.869 62 R HN 0.081 nan 8.270 nan 0.000 0.440 63 L N 1.638 122.810 121.223 -0.085 0.000 2.012 63 L HA -0.239 4.102 4.340 0.001 0.000 0.210 63 L C 2.396 179.187 176.870 -0.131 0.000 1.073 63 L CA 1.924 56.673 54.840 -0.152 0.000 0.748 63 L CB -0.628 41.327 42.059 -0.173 0.000 0.891 63 L HN 0.064 nan 8.230 nan 0.000 0.431 64 Q N -0.291 119.467 119.800 -0.071 0.000 2.061 64 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 64 Q C 2.148 178.144 176.000 -0.007 0.000 0.984 64 Q CA 2.375 58.166 55.803 -0.020 0.000 0.846 64 Q CB -0.509 28.221 28.738 -0.012 0.000 0.902 64 Q HN 0.631 nan 8.270 nan 0.000 0.421 65 A N -0.788 122.017 122.820 -0.025 0.000 1.898 65 A HA -0.125 4.195 4.320 0.001 0.000 0.216 65 A C 2.320 179.910 177.584 0.010 0.000 1.181 65 A CA 1.688 53.717 52.037 -0.014 0.000 0.620 65 A CB -0.720 18.262 19.000 -0.030 0.000 0.819 65 A HN 0.411 nan 8.150 nan 0.000 0.442 66 S N -0.482 115.208 115.700 -0.015 0.000 2.368 66 S HA -0.126 4.344 4.470 0.001 0.000 0.224 66 S C 1.879 176.489 174.600 0.016 0.000 1.029 66 S CA 1.392 59.591 58.200 -0.002 0.000 0.988 66 S CB -0.425 62.747 63.200 -0.047 0.000 0.838 66 S HN 0.501 nan 8.310 nan 0.000 0.462 67 L N 1.947 123.153 121.223 -0.029 0.000 2.012 67 L HA -0.131 4.210 4.340 0.001 0.000 0.210 67 L C 2.209 179.194 176.870 0.192 0.000 1.073 67 L CA 1.831 56.683 54.840 0.020 0.000 0.748 67 L CB -0.887 41.159 42.059 -0.021 0.000 0.891 67 L HN 0.271 nan 8.230 nan 0.000 0.431 68 Q N -1.339 118.592 119.800 0.218 0.000 2.084 68 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 68 Q C 2.044 178.259 176.000 0.358 0.000 0.978 68 Q CA 2.234 58.233 55.803 0.327 0.000 0.844 68 Q CB -0.247 28.558 28.738 0.111 0.000 0.898 68 Q HN 0.549 nan 8.270 nan 0.000 0.426 69 T N 0.927 115.631 114.554 0.250 0.000 2.746 69 T HA -0.098 4.252 4.350 0.001 0.000 0.267 69 T C 1.727 176.620 174.700 0.321 0.000 1.039 69 T CA 0.779 63.079 62.100 0.334 0.000 1.142 69 T CB -0.006 69.026 68.868 0.273 0.000 0.866 69 T HN 0.143 nan 8.240 nan 0.000 0.444 70 I N 0.951 121.626 120.570 0.175 0.000 2.202 70 I HA -0.070 4.101 4.170 0.001 0.000 0.242 70 I C 2.558 178.656 176.117 -0.032 0.000 1.091 70 I CA 0.917 62.239 61.300 0.037 0.000 1.368 70 I CB -1.381 36.656 38.000 0.061 0.000 1.058 70 I HN 0.106 nan 8.210 nan 0.000 0.410 71 V N 1.447 121.411 119.914 0.083 0.000 2.324 71 V HA -0.245 3.876 4.120 0.001 0.000 0.250 71 V C 2.666 178.696 176.094 -0.108 0.000 1.060 71 V CA 2.135 64.471 62.300 0.060 0.000 1.042 71 V CB -1.428 30.555 31.823 0.268 0.000 0.650 71 V HN 0.529 nan 8.190 nan 0.000 0.450 72 G N -1.242 107.478 108.800 -0.133 0.000 2.418 72 G HA2 -0.314 3.646 3.960 0.001 0.000 0.217 72 G HA3 -0.314 3.646 3.960 0.001 0.000 0.217 72 G C 1.615 176.127 174.900 -0.646 0.000 1.158 72 G CA 1.115 45.969 45.100 -0.410 0.000 0.771 72 G HN 0.439 nan 8.290 nan 0.000 0.545 73 M N 0.297 119.358 119.600 -0.899 0.000 2.067 73 M HA -0.086 4.395 4.480 0.001 0.000 0.260 73 M C 2.591 178.674 176.300 -0.360 0.000 1.069 73 M CA 1.548 56.017 55.300 -1.385 0.000 1.117 73 M CB -0.228 31.379 32.600 -1.655 0.000 1.334 73 M HN 0.110 nan 8.290 nan 0.000 0.407 74 V N 0.134 119.916 119.914 -0.220 0.000 2.233 74 V HA -0.277 3.843 4.120 0.001 0.000 0.247 74 V C 2.430 178.650 176.094 0.210 0.000 1.050 74 V CA 1.944 64.217 62.300 -0.044 0.000 1.010 74 V CB -0.882 30.789 31.823 -0.252 0.000 0.637 74 V HN 0.433 nan 8.190 nan 0.000 0.444 75 V N -1.075 118.913 119.914 0.122 0.000 2.282 75 V HA -0.301 3.819 4.120 0.001 0.000 0.249 75 V C 2.287 178.667 176.094 0.476 0.000 1.057 75 V CA 2.215 64.671 62.300 0.260 0.000 1.032 75 V CB -0.829 31.095 31.823 0.170 0.000 0.645 75 V HN 0.528 nan 8.190 nan 0.000 0.447 76 Y N 0.499 120.874 120.300 0.125 0.000 2.352 76 Y HA -0.082 4.468 4.550 0.001 0.000 0.292 76 Y C 2.683 178.719 175.900 0.227 0.000 1.136 76 Y CA 1.127 59.335 58.100 0.180 0.000 1.227 76 Y CB -0.555 37.977 38.460 0.120 0.000 0.991 76 Y HN 0.273 nan 8.280 nan 0.000 0.545 77 S N -2.987 112.938 115.700 0.376 0.000 2.499 77 S HA -0.002 4.469 4.470 0.001 0.000 0.225 77 S C 0.814 175.540 174.600 0.210 0.000 1.050 77 S CA -0.228 58.081 58.200 0.181 0.000 0.928 77 S CB 0.005 63.159 63.200 -0.076 0.000 0.803 77 S HN 0.420 nan 8.310 nan 0.000 0.506 78 W N 2.601 123.978 121.300 0.127 0.000 2.708 78 W HA 0.463 5.124 4.660 0.001 0.000 0.440 78 W C 1.403 177.916 176.519 -0.011 0.000 0.688 78 W CA -0.547 56.831 57.345 0.055 0.000 2.213 78 W CB -0.403 29.086 29.460 0.048 0.000 1.209 78 W HN 0.346 nan 8.180 nan 0.000 0.783 79 A N 0.522 123.400 122.820 0.096 0.000 2.084 79 A HA -0.208 4.113 4.320 0.001 0.000 0.221 79 A C 2.022 179.448 177.584 -0.264 0.000 1.161 79 A CA 1.423 53.336 52.037 -0.207 0.000 0.653 79 A CB -0.017 18.751 19.000 -0.386 0.000 0.802 79 A HN 0.037 nan 8.150 nan 0.000 0.457 80 K N -0.438 119.899 120.400 -0.106 0.000 2.367 80 K HA 0.159 4.480 4.320 0.001 0.000 0.194 80 K C 0.748 177.336 176.600 -0.019 0.000 1.027 80 K CA 0.570 56.811 56.287 -0.078 0.000 1.075 80 K CB -0.397 32.091 32.500 -0.021 0.000 0.845 80 K HN 0.516 nan 8.250 nan 0.000 0.529 81 V N -0.351 119.579 119.914 0.027 0.000 3.170 81 V HA 0.380 4.500 4.120 0.001 0.000 0.309 81 V C 0.726 176.792 176.094 -0.046 0.000 1.071 81 V CA -1.058 61.250 62.300 0.014 0.000 1.063 81 V CB 1.289 33.148 31.823 0.061 0.000 1.123 81 V HN 0.225 nan 8.190 nan 0.000 0.464 82 S N 1.504 117.148 115.700 -0.093 0.000 2.596 82 S HA 0.231 4.701 4.470 0.001 0.000 0.260 82 S C 0.807 175.331 174.600 -0.125 0.000 1.336 82 S CA 0.156 58.287 58.200 -0.115 0.000 0.993 82 S CB 0.384 63.513 63.200 -0.118 0.000 0.923 82 S HN 0.808 nan 8.310 nan 0.000 0.567 83 K N 0.466 120.758 120.400 -0.180 0.000 2.097 83 K HA -0.088 4.232 4.320 0.001 0.000 0.206 83 K C 2.155 178.726 176.600 -0.048 0.000 1.049 83 K CA 1.379 57.526 56.287 -0.233 0.000 0.933 83 K CB -0.173 31.876 32.500 -0.752 0.000 0.717 83 K HN 0.586 nan 8.250 nan 0.000 0.442 84 E N 0.576 120.753 120.200 -0.038 0.000 2.077 84 E HA -0.205 4.145 4.350 0.001 0.000 0.193 84 E C 2.145 178.731 176.600 -0.023 0.000 0.989 84 E CA 0.776 57.253 56.400 0.129 0.000 0.800 84 E CB -0.487 29.308 29.700 0.160 0.000 0.746 84 E HN 0.292 nan 8.360 nan 0.000 0.452 85 C N 0.603 119.717 119.300 -0.310 0.000 2.429 85 C HA -0.094 4.367 4.460 0.001 0.000 0.277 85 C C 2.770 177.626 174.990 -0.223 0.000 1.262 85 C CA 0.706 59.380 59.018 -0.573 0.000 1.733 85 C CB -0.927 26.459 27.740 -0.589 0.000 2.010 85 C HN 0.400 nan 8.230 nan 0.000 0.483 86 M N 0.793 120.329 119.600 -0.107 0.000 2.117 86 M HA -0.089 4.391 4.480 0.001 0.000 0.262 86 M C 2.509 178.799 176.300 -0.016 0.000 1.065 86 M CA 1.973 57.239 55.300 -0.057 0.000 1.114 86 M CB -0.620 32.000 32.600 0.033 0.000 1.361 86 M HN 0.517 nan 8.290 nan 0.000 0.408 87 A N 0.753 123.610 122.820 0.061 0.000 1.858 87 A HA -0.179 4.141 4.320 0.001 0.000 0.216 87 A C 1.774 179.373 177.584 0.024 0.000 1.190 87 A CA 1.976 54.053 52.037 0.066 0.000 0.617 87 A CB -0.729 18.346 19.000 0.125 0.000 0.827 87 A HN 0.397 nan 8.150 nan 0.000 0.443 88 D N 0.002 120.438 120.400 0.060 0.000 2.144 88 D HA -0.081 4.559 4.640 0.001 0.000 0.200 88 D C 1.945 178.288 176.300 0.072 0.000 0.978 88 D CA 0.873 54.942 54.000 0.114 0.000 0.833 88 D CB -0.308 40.614 40.800 0.204 0.000 0.961 88 D HN 0.438 nan 8.370 nan 0.000 0.470 89 L N 0.587 121.794 121.223 -0.027 0.000 2.093 89 L HA -0.109 4.231 4.340 0.001 0.000 0.208 89 L C 2.472 179.295 176.870 -0.078 0.000 1.085 89 L CA 0.660 55.418 54.840 -0.136 0.000 0.755 89 L CB -0.209 41.685 42.059 -0.274 0.000 0.904 89 L HN -0.072 nan 8.230 nan 0.000 0.435 90 S N 0.112 115.789 115.700 -0.038 0.000 2.382 90 S HA -0.133 4.337 4.470 0.001 0.000 0.228 90 S C 1.941 176.552 174.600 0.020 0.000 1.027 90 S CA 1.190 59.398 58.200 0.012 0.000 0.991 90 S CB -0.197 63.015 63.200 0.020 0.000 0.823 90 S HN 0.287 nan 8.310 nan 0.000 0.469 91 I N 0.441 120.979 120.570 -0.053 0.000 2.179 91 I HA -0.215 3.956 4.170 0.001 0.000 0.242 91 I C 2.451 178.483 176.117 -0.142 0.000 1.088 91 I CA 1.587 62.767 61.300 -0.200 0.000 1.357 91 I CB -0.392 37.221 38.000 -0.646 0.000 1.051 91 I HN 0.317 nan 8.210 nan 0.000 0.409 92 H N 0.248 119.212 119.070 -0.176 0.000 2.321 92 H HA -0.206 4.351 4.556 0.001 0.000 0.300 92 H C 1.828 177.059 175.328 -0.163 0.000 1.087 92 H CA 1.985 57.928 56.048 -0.176 0.000 1.319 92 H CB -0.124 29.415 29.762 -0.371 0.000 1.379 92 H HN 0.252 nan 8.280 nan 0.000 0.501 93 Y N -0.656 119.637 120.300 -0.012 0.000 2.571 93 Y HA -0.046 4.505 4.550 0.001 0.000 0.294 93 Y C 2.523 178.386 175.900 -0.062 0.000 1.141 93 Y CA 1.187 59.236 58.100 -0.084 0.000 1.308 93 Y CB -0.326 38.074 38.460 -0.101 0.000 1.002 93 Y HN 0.240 nan 8.280 nan 0.000 0.551 94 T N -1.415 113.181 114.554 0.069 0.000 2.978 94 T HA -0.111 4.239 4.350 0.001 0.000 0.262 94 T C 1.386 176.089 174.700 0.005 0.000 1.063 94 T CA 0.883 62.971 62.100 -0.018 0.000 1.140 94 T CB -0.340 68.448 68.868 -0.134 0.000 0.886 94 T HN 0.197 nan 8.240 nan 0.000 0.470 95 Y N 2.335 122.680 120.300 0.075 0.000 2.145 95 Y HA -0.176 4.375 4.550 0.001 0.000 0.286 95 Y C 3.071 179.215 175.900 0.408 0.000 1.145 95 Y CA 1.419 59.615 58.100 0.161 0.000 1.148 95 Y CB -1.202 37.147 38.460 -0.185 0.000 0.981 95 Y HN 0.337 nan 8.280 nan 0.000 0.507 96 T N -1.698 113.061 114.554 0.342 0.000 2.746 96 T HA -0.211 4.139 4.350 0.001 0.000 0.267 96 T C 1.960 176.798 174.700 0.230 0.000 1.039 96 T CA 1.307 63.541 62.100 0.222 0.000 1.142 96 T CB -0.923 67.673 68.868 -0.453 0.000 0.866 96 T HN 0.194 nan 8.240 nan 0.000 0.444 97 L N 1.307 122.620 121.223 0.151 0.000 2.046 97 L HA 0.069 4.410 4.340 0.001 0.000 0.208 97 L C 2.612 179.563 176.870 0.134 0.000 1.077 97 L CA 1.257 56.188 54.840 0.151 0.000 0.747 97 L CB -0.832 41.291 42.059 0.108 0.000 0.896 97 L HN 0.181 nan 8.230 nan 0.000 0.432 98 V N -0.578 119.416 119.914 0.134 0.000 2.427 98 V HA -0.244 3.876 4.120 0.001 0.000 0.248 98 V C 2.467 178.605 176.094 0.073 0.000 1.051 98 V CA 1.452 63.811 62.300 0.098 0.000 1.048 98 V CB -0.612 31.278 31.823 0.112 0.000 0.666 98 V HN 0.489 nan 8.190 nan 0.000 0.456 99 L N 0.388 121.641 121.223 0.049 0.000 2.351 99 L HA -0.189 4.151 4.340 0.001 0.000 0.220 99 L C 1.796 178.528 176.870 -0.229 0.000 1.127 99 L CA 1.825 56.496 54.840 -0.282 0.000 0.786 99 L CB -0.863 40.665 42.059 -0.885 0.000 0.914 99 L HN 0.339 nan 8.230 nan 0.000 0.443 100 D N -0.400 119.948 120.400 -0.087 0.000 2.378 100 D HA -0.109 4.531 4.640 0.001 0.000 0.222 100 D C 0.921 177.174 176.300 -0.077 0.000 0.980 100 D CA 0.734 54.681 54.000 -0.087 0.000 0.907 100 D CB 0.055 40.855 40.800 0.000 0.000 0.899 100 D HN 0.476 nan 8.370 nan 0.000 0.527 101 D N -0.665 119.696 120.400 -0.064 0.000 2.349 101 D HA 0.001 4.641 4.640 0.001 0.000 0.214 101 D C 0.309 176.573 176.300 -0.059 0.000 1.063 101 D CA 0.209 54.180 54.000 -0.049 0.000 0.847 101 D CB 0.288 41.073 40.800 -0.025 0.000 0.933 101 D HN -0.139 nan 8.370 nan 0.000 0.513 102 S N 0.259 115.905 115.700 -0.090 0.000 2.452 102 S HA 0.204 4.674 4.470 0.001 0.000 0.284 102 S C 0.971 175.508 174.600 -0.105 0.000 1.171 102 S CA -0.495 57.654 58.200 -0.085 0.000 1.064 102 S CB 0.981 64.132 63.200 -0.081 0.000 0.967 102 S HN -0.089 nan 8.310 nan 0.000 0.484 103 K N 2.343 122.692 120.400 -0.084 0.000 2.393 103 K HA 0.082 4.402 4.320 0.001 0.000 0.193 103 K C -0.525 176.018 176.600 -0.096 0.000 1.026 103 K CA 0.009 56.243 56.287 -0.089 0.000 1.064 103 K CB 0.166 32.623 32.500 -0.072 0.000 0.833 103 K HN 0.600 nan 8.250 nan 0.000 0.521 104 D N 2.538 122.884 120.400 -0.090 0.000 2.472 104 D HA -0.082 4.558 4.640 0.001 0.000 0.248 104 D C -0.227 176.003 176.300 -0.118 0.000 1.174 104 D CA 0.503 54.448 54.000 -0.091 0.000 0.883 104 D CB 0.594 41.338 40.800 -0.093 0.000 1.149 104 D HN 0.054 nan 8.370 nan 0.000 0.488 105 D N 3.436 123.774 120.400 -0.103 0.000 2.426 105 D HA -0.004 4.637 4.640 0.001 0.000 0.261 105 D C -1.636 174.558 176.300 -0.176 0.000 1.245 105 D CA -1.327 52.603 54.000 -0.116 0.000 0.917 105 D CB 0.949 41.733 40.800 -0.027 0.000 1.123 105 D HN 0.054 nan 8.370 nan 0.000 0.508 106 P HA -0.160 nan 4.420 nan 0.000 0.219 106 P C 0.903 177.976 177.300 -0.377 0.000 1.146 106 P CA 0.749 63.559 63.100 -0.484 0.000 0.808 106 P CB -0.079 30.891 31.700 -1.217 0.000 0.779 107 Y N 1.629 121.665 120.300 -0.440 0.000 1.997 107 Y HA -0.257 4.293 4.550 0.001 0.000 0.265 107 Y C -0.694 175.243 175.900 0.061 0.000 1.193 107 Y CA 2.720 60.815 58.100 -0.008 0.000 1.106 107 Y CB -2.043 36.541 38.460 0.206 0.000 0.940 107 Y HN 0.095 nan 8.280 nan 0.000 0.494 108 P HA -0.172 nan 4.420 nan 0.000 0.216 108 P C 1.510 178.891 177.300 0.136 0.000 1.150 108 P CA 3.018 66.264 63.100 0.245 0.000 0.843 108 P CB -0.477 31.319 31.700 0.160 0.000 0.787 109 T N -5.317 109.308 114.554 0.118 0.000 3.088 109 T HA 0.089 4.440 4.350 0.001 0.000 0.259 109 T C 1.418 176.238 174.700 0.200 0.000 1.122 109 T CA 0.598 62.794 62.100 0.159 0.000 1.095 109 T CB -0.486 68.501 68.868 0.198 0.000 0.930 109 T HN -0.077 nan 8.240 nan 0.000 0.508 110 M N 1.056 120.741 119.600 0.142 0.000 2.428 110 M HA 0.300 4.781 4.480 0.001 0.000 0.239 110 M C 1.788 178.175 176.300 0.145 0.000 1.121 110 M CA -0.015 55.395 55.300 0.182 0.000 1.019 110 M CB -0.289 32.417 32.600 0.177 0.000 1.485 110 M HN 0.163 nan 8.290 nan 0.000 0.484 111 V N 1.442 121.395 119.914 0.064 0.000 2.407 111 V HA -0.207 3.913 4.120 0.001 0.000 0.248 111 V C 1.381 177.537 176.094 0.103 0.000 1.055 111 V CA 1.401 63.724 62.300 0.039 0.000 1.049 111 V CB -0.467 31.383 31.823 0.044 0.000 0.662 111 V HN 0.520 nan 8.190 nan 0.000 0.455 112 N N -1.501 117.273 118.700 0.123 0.000 2.328 112 N HA 0.096 4.836 4.740 0.001 0.000 0.247 112 N C 1.027 176.604 175.510 0.111 0.000 1.165 112 N CA -0.129 52.986 53.050 0.108 0.000 0.873 112 N CB 0.362 38.890 38.487 0.068 0.000 1.125 112 N HN 0.546 nan 8.380 nan 0.000 0.513 113 Y N 0.889 121.221 120.300 0.053 0.000 2.081 113 Y HA -0.266 4.285 4.550 0.001 0.000 0.280 113 Y C 1.990 177.880 175.900 -0.017 0.000 1.163 113 Y CA 1.739 59.840 58.100 0.002 0.000 1.135 113 Y CB -0.406 38.068 38.460 0.023 0.000 0.970 113 Y HN 0.060 nan 8.280 nan 0.000 0.498 114 F N 0.970 120.866 119.950 -0.089 0.000 2.113 114 F HA -0.181 4.346 4.527 0.001 0.000 0.297 114 F C 2.203 177.896 175.800 -0.179 0.000 1.103 114 F CA 2.122 60.013 58.000 -0.182 0.000 1.248 114 F CB -0.485 38.511 39.000 -0.007 0.000 0.999 114 F HN 0.074 nan 8.300 nan 0.000 0.475 115 D N 0.217 120.650 120.400 0.054 0.000 2.144 115 D HA -0.185 4.456 4.640 0.001 0.000 0.199 115 D C 1.802 177.999 176.300 -0.171 0.000 0.984 115 D CA 1.504 55.492 54.000 -0.022 0.000 0.834 115 D CB -0.473 40.363 40.800 0.059 0.000 0.955 115 D HN 0.354 nan 8.370 nan 0.000 0.465 116 D N 0.249 120.535 120.400 -0.190 0.000 2.144 116 D HA -0.100 4.540 4.640 0.001 0.000 0.200 116 D C 2.196 178.304 176.300 -0.320 0.000 0.978 116 D CA 0.198 54.076 54.000 -0.205 0.000 0.833 116 D CB -0.212 40.494 40.800 -0.157 0.000 0.961 116 D HN 0.124 nan 8.370 nan 0.000 0.470 117 L N 0.947 121.858 121.223 -0.520 0.000 1.994 117 L HA -0.197 4.144 4.340 0.001 0.000 0.208 117 L C 2.290 178.859 176.870 -0.502 0.000 1.071 117 L CA 1.778 56.259 54.840 -0.598 0.000 0.745 117 L CB -0.685 40.841 42.059 -0.889 0.000 0.892 117 L HN -0.113 nan 8.230 nan 0.000 0.431 118 Q N -0.561 118.871 119.800 -0.613 0.000 2.170 118 Q HA -0.088 4.253 4.340 0.001 0.000 0.203 118 Q C 1.899 177.752 176.000 -0.245 0.000 0.976 118 Q CA 1.769 57.300 55.803 -0.453 0.000 0.858 118 Q CB -0.253 28.195 28.738 -0.485 0.000 0.907 118 Q HN 0.590 nan 8.270 nan 0.000 0.433 119 A N -1.123 121.570 122.820 -0.210 0.000 2.178 119 A HA 0.399 4.720 4.320 0.001 0.000 0.211 119 A C 1.484 178.994 177.584 -0.123 0.000 1.157 119 A CA 0.698 52.656 52.037 -0.131 0.000 0.780 119 A CB -0.414 18.527 19.000 -0.098 0.000 0.828 119 A HN 0.654 nan 8.150 nan 0.000 0.476 120 G N -0.571 108.134 108.800 -0.157 0.000 2.137 120 G HA2 -0.228 3.732 3.960 0.001 0.000 0.237 120 G HA3 -0.228 3.732 3.960 0.001 0.000 0.237 120 G C 0.110 174.947 174.900 -0.104 0.000 1.002 120 G CA 0.177 45.199 45.100 -0.130 0.000 0.702 120 G HN 0.613 nan 8.290 nan 0.000 0.515 121 R N 0.153 120.587 120.500 -0.111 0.000 2.486 121 R HA 0.459 4.800 4.340 0.001 0.000 0.286 121 R C 0.471 176.724 176.300 -0.077 0.000 0.999 121 R CA -0.729 55.324 56.100 -0.078 0.000 0.993 121 R CB 1.222 31.483 30.300 -0.065 0.000 1.084 121 R HN 0.442 nan 8.270 nan 0.000 0.487 122 E N 2.180 122.355 120.200 -0.041 0.000 2.452 122 E HA -0.106 4.244 4.350 0.001 0.000 0.261 122 E C -0.335 176.262 176.600 -0.004 0.000 0.987 122 E CA -0.105 56.284 56.400 -0.018 0.000 0.926 122 E CB 0.712 30.416 29.700 0.007 0.000 0.934 122 E HN 0.200 nan 8.360 nan 0.000 0.452 123 Q N 1.883 121.695 119.800 0.020 0.000 2.421 123 Q HA 0.024 4.365 4.340 0.001 0.000 0.255 123 Q C 0.562 176.646 176.000 0.140 0.000 1.013 123 Q CA 0.566 56.413 55.803 0.073 0.000 0.895 123 Q CB 1.399 30.223 28.738 0.142 0.000 1.271 123 Q HN 0.731 nan 8.270 nan 0.000 0.460 124 A N 2.710 125.626 122.820 0.160 0.000 1.929 124 A HA -0.121 4.200 4.320 0.001 0.000 0.216 124 A C 0.862 178.566 177.584 0.200 0.000 1.176 124 A CA 0.818 52.945 52.037 0.149 0.000 0.628 124 A CB -0.309 18.770 19.000 0.131 0.000 0.816 124 A HN 0.713 nan 8.150 nan 0.000 0.444 125 H N 1.356 120.564 119.070 0.230 0.000 2.899 125 H HA 0.119 4.675 4.556 0.001 0.000 0.303 125 H C -1.548 173.937 175.328 0.262 0.000 1.042 125 H CA -1.602 54.606 56.048 0.268 0.000 1.479 125 H CB 1.215 31.217 29.762 0.400 0.000 1.493 125 H HN 0.153 nan 8.280 nan 0.000 0.534 126 P HA -0.186 nan 4.420 nan 0.000 0.218 126 P C 1.662 179.187 177.300 0.375 0.000 1.148 126 P CA 1.027 64.290 63.100 0.271 0.000 0.822 126 P CB -0.033 31.755 31.700 0.146 0.000 0.784 127 W N -0.002 121.550 121.300 0.421 0.000 2.355 127 W HA -0.103 4.557 4.660 0.001 0.000 0.309 127 W C 2.388 178.889 176.519 -0.029 0.000 1.206 127 W CA 1.411 58.821 57.345 0.109 0.000 1.284 127 W CB -1.230 28.207 29.460 -0.038 0.000 1.145 127 W HN -0.102 nan 8.180 nan 0.000 0.502 128 W N -0.015 121.414 121.300 0.216 0.000 2.363 128 W HA -0.177 4.484 4.660 0.001 0.000 0.296 128 W C 2.593 179.051 176.519 -0.101 0.000 1.212 128 W CA 1.489 58.814 57.345 -0.032 0.000 1.260 128 W CB -0.728 28.754 29.460 0.037 0.000 1.131 128 W HN -0.044 nan 8.180 nan 0.000 0.530 129 A N 0.073 123.034 122.820 0.236 0.000 1.902 129 A HA -0.192 4.129 4.320 0.001 0.000 0.217 129 A C 1.894 179.478 177.584 -0.001 0.000 1.181 129 A CA 1.515 53.618 52.037 0.110 0.000 0.623 129 A CB -0.932 18.136 19.000 0.114 0.000 0.818 129 A HN 0.304 nan 8.150 nan 0.000 0.443 130 L N -0.938 120.219 121.223 -0.109 0.000 2.095 130 L HA -0.088 4.252 4.340 0.001 0.000 0.204 130 L C 2.527 179.116 176.870 -0.468 0.000 1.080 130 L CA 0.747 55.450 54.840 -0.227 0.000 0.759 130 L CB -0.595 41.326 42.059 -0.229 0.000 0.914 130 L HN 0.221 nan 8.230 nan 0.000 0.439 131 V N 0.485 119.912 119.914 -0.811 0.000 2.287 131 V HA -0.277 3.843 4.120 0.001 0.000 0.248 131 V C 2.175 178.118 176.094 -0.251 0.000 1.053 131 V CA 1.930 63.710 62.300 -0.867 0.000 1.027 131 V CB -0.650 30.415 31.823 -1.264 0.000 0.646 131 V HN 0.486 nan 8.190 nan 0.000 0.447 132 N N -0.204 118.493 118.700 -0.006 0.000 2.331 132 N HA -0.147 4.593 4.740 0.001 0.000 0.180 132 N C 1.864 177.440 175.510 0.109 0.000 1.019 132 N CA 1.240 54.389 53.050 0.165 0.000 0.881 132 N CB -0.242 38.326 38.487 0.135 0.000 0.972 132 N HN 0.682 nan 8.380 nan 0.000 0.435 133 E N -0.193 120.035 120.200 0.048 0.000 2.152 133 E HA -0.193 4.157 4.350 0.001 0.000 0.192 133 E C 1.684 178.338 176.600 0.089 0.000 0.983 133 E CA 0.774 57.206 56.400 0.053 0.000 0.818 133 E CB -0.009 29.717 29.700 0.042 0.000 0.758 133 E HN 0.445 nan 8.360 nan 0.000 0.467 134 H N -0.744 118.331 119.070 0.008 0.000 2.497 134 H HA -0.058 4.498 4.556 0.001 0.000 0.282 134 H C 1.690 177.066 175.328 0.079 0.000 1.003 134 H CA 0.510 56.577 56.048 0.032 0.000 1.307 134 H CB -0.053 29.729 29.762 0.034 0.000 1.437 134 H HN 0.175 nan 8.280 nan 0.000 0.544 135 F N 2.017 121.938 119.950 -0.047 0.000 2.082 135 F HA -0.172 4.356 4.527 0.001 0.000 0.298 135 F C -0.742 174.936 175.800 -0.203 0.000 1.091 135 F CA 1.416 59.353 58.000 -0.104 0.000 1.230 135 F CB -1.585 37.391 39.000 -0.040 0.000 0.983 135 F HN 0.292 nan 8.300 nan 0.000 0.485 136 P HA -0.200 nan 4.420 nan 0.000 0.217 136 P C 1.139 178.353 177.300 -0.143 0.000 1.148 136 P CA 2.003 65.056 63.100 -0.078 0.000 0.834 136 P CB -0.249 31.404 31.700 -0.077 0.000 0.783 137 N N -1.178 117.368 118.700 -0.255 0.000 2.309 137 N HA -0.072 4.668 4.740 0.001 0.000 0.182 137 N C 1.297 176.705 175.510 -0.170 0.000 1.018 137 N CA 0.564 53.438 53.050 -0.292 0.000 0.876 137 N CB -0.071 38.127 38.487 -0.482 0.000 0.972 137 N HN 0.043 nan 8.380 nan 0.000 0.434 138 V N 1.177 121.052 119.914 -0.065 0.000 2.500 138 V HA -0.047 4.074 4.120 0.001 0.000 0.243 138 V C 2.097 178.354 176.094 0.273 0.000 1.039 138 V CA 0.809 63.212 62.300 0.172 0.000 1.053 138 V CB -0.193 31.704 31.823 0.125 0.000 0.695 138 V HN 0.237 nan 8.190 nan 0.000 0.463 139 L N 0.938 122.233 121.223 0.120 0.000 2.201 139 L HA -0.135 4.206 4.340 0.001 0.000 0.212 139 L C 2.737 179.659 176.870 0.086 0.000 1.105 139 L CA 1.487 56.394 54.840 0.112 0.000 0.775 139 L CB -0.736 41.255 42.059 -0.112 0.000 0.913 139 L HN 0.451 nan 8.230 nan 0.000 0.440 140 R N -0.651 119.793 120.500 -0.094 0.000 2.249 140 R HA -0.173 4.167 4.340 0.001 0.000 0.230 140 R C 1.510 177.661 176.300 -0.248 0.000 1.121 140 R CA 1.288 57.270 56.100 -0.197 0.000 0.997 140 R CB -0.653 29.464 30.300 -0.306 0.000 0.867 140 R HN 0.460 nan 8.270 nan 0.000 0.465 141 H N -0.567 118.432 119.070 -0.119 0.000 2.539 141 H HA 0.186 4.743 4.556 0.001 0.000 0.267 141 H C -0.284 174.625 175.328 -0.699 0.000 0.982 141 H CA 0.368 56.151 56.048 -0.442 0.000 1.146 141 H CB 0.059 29.409 29.762 -0.687 0.000 1.382 141 H HN 0.120 nan 8.280 nan 0.000 0.577 142 F N -0.618 119.398 119.950 0.111 0.000 2.611 142 F HA 0.525 5.053 4.527 0.001 0.000 0.324 142 F C 1.147 176.991 175.800 0.073 0.000 1.061 142 F CA -1.180 56.885 58.000 0.108 0.000 0.954 142 F CB 0.926 39.982 39.000 0.092 0.000 1.301 142 F HN -0.126 nan 8.300 nan 0.000 0.482 143 G N 0.729 109.715 108.800 0.310 0.000 2.616 143 G HA2 0.351 4.311 3.960 0.001 0.000 0.268 143 G HA3 0.351 4.311 3.960 0.001 0.000 0.268 143 G C -1.796 173.219 174.900 0.192 0.000 1.213 143 G CA -1.169 44.058 45.100 0.212 0.000 0.926 143 G HN 0.427 nan 8.290 nan 0.000 0.523 144 P HA -0.207 nan 4.420 nan 0.000 0.215 144 P C 1.615 179.013 177.300 0.163 0.000 1.153 144 P CA 1.066 64.242 63.100 0.126 0.000 0.853 144 P CB 0.059 31.828 31.700 0.116 0.000 0.788 145 F N 0.858 120.865 119.950 0.096 0.000 2.084 145 F HA -0.164 4.364 4.527 0.001 0.000 0.296 145 F C 2.368 178.194 175.800 0.043 0.000 1.111 145 F CA 1.340 59.400 58.000 0.100 0.000 1.224 145 F CB -1.149 37.958 39.000 0.178 0.000 0.991 145 F HN -0.046 nan 8.300 nan 0.000 0.471 146 C N -0.183 119.115 119.300 -0.004 0.000 2.425 146 C HA -0.151 4.309 4.460 0.001 0.000 0.277 146 C C 3.052 177.904 174.990 -0.230 0.000 1.280 146 C CA 1.522 60.450 59.018 -0.150 0.000 1.744 146 C CB -1.417 26.391 27.740 0.112 0.000 1.989 146 C HN 0.571 nan 8.230 nan 0.000 0.491 147 S N 0.789 116.424 115.700 -0.107 0.000 2.370 147 S HA -0.185 4.285 4.470 0.001 0.000 0.226 147 S C 1.705 176.180 174.600 -0.208 0.000 1.033 147 S CA 1.443 59.548 58.200 -0.159 0.000 1.011 147 S CB -0.483 62.671 63.200 -0.078 0.000 0.852 147 S HN 0.567 nan 8.310 nan 0.000 0.457 148 L N 2.745 123.862 121.223 -0.176 0.000 2.083 148 L HA -0.065 4.275 4.340 0.001 0.000 0.209 148 L C 1.737 178.510 176.870 -0.161 0.000 1.083 148 L CA 1.687 56.436 54.840 -0.152 0.000 0.752 148 L CB -0.813 41.179 42.059 -0.111 0.000 0.899 148 L HN 0.232 nan 8.230 nan 0.000 0.433 149 N N -0.584 117.958 118.700 -0.263 0.000 2.142 149 N HA -0.165 4.576 4.740 0.001 0.000 0.186 149 N C 1.824 177.305 175.510 -0.048 0.000 1.023 149 N CA 1.625 54.569 53.050 -0.178 0.000 0.852 149 N CB -0.156 38.146 38.487 -0.308 0.000 0.998 149 N HN 0.304 nan 8.380 nan 0.000 0.424 150 L N 1.429 122.587 121.223 -0.108 0.000 2.046 150 L HA -0.082 4.258 4.340 0.001 0.000 0.208 150 L C 2.268 179.244 176.870 0.177 0.000 1.077 150 L CA 1.020 55.860 54.840 0.001 0.000 0.747 150 L CB -0.415 41.568 42.059 -0.127 0.000 0.896 150 L HN 0.129 nan 8.230 nan 0.000 0.432 151 I N -1.045 119.535 120.570 0.017 0.000 2.179 151 I HA -0.317 3.854 4.170 0.001 0.000 0.242 151 I C 2.662 178.909 176.117 0.217 0.000 1.088 151 I CA 1.274 62.627 61.300 0.088 0.000 1.357 151 I CB -0.352 37.574 38.000 -0.122 0.000 1.051 151 I HN 0.218 nan 8.210 nan 0.000 0.409 152 R N -0.009 120.571 120.500 0.134 0.000 2.066 152 R HA -0.136 4.204 4.340 0.001 0.000 0.232 152 R C 2.547 178.961 176.300 0.190 0.000 1.131 152 R CA 1.621 57.811 56.100 0.151 0.000 0.955 152 R CB -0.527 29.836 30.300 0.105 0.000 0.851 152 R HN 0.226 nan 8.270 nan 0.000 0.432 153 S N -0.170 115.640 115.700 0.183 0.000 2.399 153 S HA -0.115 4.356 4.470 0.001 0.000 0.231 153 S C 1.704 176.490 174.600 0.309 0.000 1.022 153 S CA 1.614 59.923 58.200 0.182 0.000 0.983 153 S CB -0.105 63.197 63.200 0.171 0.000 0.803 153 S HN 0.337 nan 8.310 nan 0.000 0.480 154 T N 2.061 116.862 114.554 0.411 0.000 2.857 154 T HA 0.028 4.379 4.350 0.001 0.000 0.266 154 T C 1.619 176.709 174.700 0.650 0.000 1.048 154 T CA 0.999 63.424 62.100 0.542 0.000 1.139 154 T CB -0.298 68.952 68.868 0.635 0.000 0.874 154 T HN 0.251 nan 8.240 nan 0.000 0.455 155 L N 1.652 123.225 121.223 0.584 0.000 2.056 155 L HA -0.043 4.298 4.340 0.001 0.000 0.207 155 L C 1.782 178.915 176.870 0.438 0.000 1.078 155 L CA 1.769 56.952 54.840 0.572 0.000 0.749 155 L CB -0.653 41.620 42.059 0.356 0.000 0.901 155 L HN 0.064 nan 8.230 nan 0.000 0.433 156 D N -0.923 119.662 120.400 0.308 0.000 2.097 156 D HA -0.255 4.386 4.640 0.001 0.000 0.195 156 D C 2.037 178.458 176.300 0.203 0.000 0.989 156 D CA 1.501 55.614 54.000 0.188 0.000 0.827 156 D CB -0.477 40.375 40.800 0.086 0.000 0.966 156 D HN 0.350 nan 8.370 nan 0.000 0.456 157 F N 0.769 120.799 119.950 0.133 0.000 2.120 157 F HA -0.253 4.274 4.527 0.001 0.000 0.300 157 F C 2.121 177.938 175.800 0.029 0.000 1.095 157 F CA 1.117 59.161 58.000 0.073 0.000 1.249 157 F CB -0.521 38.547 39.000 0.113 0.000 0.995 157 F HN -0.093 nan 8.300 nan 0.000 0.480 158 F N 1.158 121.069 119.950 -0.064 0.000 2.095 158 F HA -0.198 4.329 4.527 0.001 0.000 0.298 158 F C 2.586 178.318 175.800 -0.112 0.000 1.104 158 F CA 2.231 60.079 58.000 -0.252 0.000 1.232 158 F CB -0.718 38.287 39.000 0.008 0.000 0.987 158 F HN 0.153 nan 8.300 nan 0.000 0.475 159 E N -0.388 119.930 120.200 0.197 0.000 2.106 159 E HA -0.127 4.224 4.350 0.001 0.000 0.192 159 E C 2.459 179.029 176.600 -0.049 0.000 0.984 159 E CA 0.999 57.487 56.400 0.147 0.000 0.806 159 E CB -0.620 29.154 29.700 0.124 0.000 0.750 159 E HN 0.516 nan 8.360 nan 0.000 0.458 160 G N 0.492 109.190 108.800 -0.170 0.000 2.418 160 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 160 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 160 G C 1.696 176.435 174.900 -0.268 0.000 1.158 160 G CA 0.943 45.903 45.100 -0.234 0.000 0.771 160 G HN 0.389 nan 8.290 nan 0.000 0.545 161 C N -0.902 118.108 119.300 -0.483 0.000 2.425 161 C HA -0.008 4.452 4.460 0.001 0.000 0.277 161 C C 2.341 177.196 174.990 -0.225 0.000 1.280 161 C CA 0.283 59.013 59.018 -0.481 0.000 1.744 161 C CB -0.977 26.285 27.740 -0.797 0.000 1.989 161 C HN 0.669 nan 8.230 nan 0.000 0.491 162 W N 1.712 122.759 121.300 -0.422 0.000 2.354 162 W HA -0.068 4.592 4.660 0.001 0.000 0.315 162 W C 2.137 178.648 176.519 -0.014 0.000 1.206 162 W CA 1.209 58.416 57.345 -0.229 0.000 1.290 162 W CB -1.078 28.255 29.460 -0.213 0.000 1.152 162 W HN 0.282 nan 8.180 nan 0.000 0.489 163 I N 0.727 121.407 120.570 0.183 0.000 2.208 163 I HA -0.329 3.841 4.170 0.001 0.000 0.245 163 I C 2.149 178.404 176.117 0.230 0.000 1.097 163 I CA 1.844 63.216 61.300 0.120 0.000 1.363 163 I CB -0.724 37.313 38.000 0.061 0.000 1.051 163 I HN 0.003 nan 8.210 nan 0.000 0.413 164 E N 0.445 120.723 120.200 0.129 0.000 2.333 164 E HA -0.227 4.123 4.350 0.001 0.000 0.198 164 E C 1.997 178.680 176.600 0.137 0.000 1.007 164 E CA 0.572 57.039 56.400 0.113 0.000 0.845 164 E CB -0.104 29.598 29.700 0.002 0.000 0.766 164 E HN 0.591 nan 8.360 nan 0.000 0.507 165 Q N -0.414 119.491 119.800 0.175 0.000 2.364 165 Q HA -0.141 4.199 4.340 0.001 0.000 0.207 165 Q C 0.834 176.861 176.000 0.046 0.000 0.970 165 Q CA 0.875 56.729 55.803 0.085 0.000 0.888 165 Q CB 0.054 28.824 28.738 0.054 0.000 0.951 165 Q HN 0.442 nan 8.270 nan 0.000 0.469 166 Y N -0.048 120.301 120.300 0.081 0.000 2.490 166 Y HA 0.052 4.602 4.550 0.001 0.000 0.281 166 Y C 0.529 176.488 175.900 0.098 0.000 1.174 166 Y CA -0.159 57.985 58.100 0.073 0.000 1.295 166 Y CB -0.043 38.445 38.460 0.048 0.000 1.062 166 Y HN 0.101 nan 8.280 nan 0.000 0.522 167 N N 0.132 118.962 118.700 0.216 0.000 2.714 167 N HA -0.278 4.463 4.740 0.001 0.000 0.252 167 N C -1.025 174.621 175.510 0.226 0.000 1.014 167 N CA 0.296 53.443 53.050 0.163 0.000 0.735 167 N CB -1.327 37.213 38.487 0.089 0.000 0.924 167 N HN 0.253 nan 8.380 nan 0.000 0.540 168 F N -0.634 119.365 119.950 0.081 0.000 2.415 168 F HA 0.622 5.150 4.527 0.001 0.000 0.348 168 F C 1.378 177.193 175.800 0.025 0.000 1.119 168 F CA -0.659 57.335 58.000 -0.010 0.000 1.069 168 F CB 1.102 40.044 39.000 -0.096 0.000 1.124 168 F HN -0.006 nan 8.300 nan 0.000 0.472 169 G N 2.896 111.390 108.800 -0.511 0.000 3.189 169 G HA2 0.440 4.400 3.960 0.001 0.000 0.225 169 G HA3 0.440 4.400 3.960 0.001 0.000 0.225 169 G C 0.400 174.857 174.900 -0.738 0.000 1.159 169 G CA 0.120 45.007 45.100 -0.355 0.000 0.763 169 G HN 1.390 nan 8.290 nan 0.000 0.549 170 G N -0.569 106.913 108.800 -2.198 0.000 2.697 170 G HA2 0.009 3.970 3.960 0.001 0.000 0.686 170 G HA3 0.009 3.970 3.960 0.001 0.000 0.686 170 G C -0.550 173.762 174.900 -0.980 0.000 1.179 170 G CA -1.146 42.757 45.100 -1.996 0.000 0.765 170 G HN 0.201 nan 8.290 nan 0.000 0.649 171 F N 1.464 121.240 119.950 -0.291 0.000 2.471 171 F HA 0.454 4.981 4.527 0.001 0.000 0.353 171 F C -1.251 174.524 175.800 -0.042 0.000 1.113 171 F CA -1.808 56.181 58.000 -0.018 0.000 1.262 171 F CB 0.545 39.589 39.000 0.073 0.000 1.146 171 F HN 0.193 nan 8.300 nan 0.000 0.578 172 P HA 0.182 nan 4.420 nan 0.000 0.263 172 P C 0.620 177.988 177.300 0.113 0.000 1.195 172 P CA 1.150 64.329 63.100 0.131 0.000 0.762 172 P CB 0.485 32.248 31.700 0.105 0.000 0.799 173 G N 2.336 111.207 108.800 0.118 0.000 2.194 173 G HA2 -0.245 3.715 3.960 0.001 0.000 0.236 173 G HA3 -0.245 3.715 3.960 0.001 0.000 0.236 173 G C 0.631 175.392 174.900 -0.231 0.000 0.987 173 G CA 0.123 45.185 45.100 -0.063 0.000 0.635 173 G HN 0.630 nan 8.290 nan 0.000 0.520 174 S N 1.183 116.897 115.700 0.023 0.000 3.965 174 S HA 0.423 4.893 4.470 0.001 0.000 0.195 174 S C 1.736 176.453 174.600 0.195 0.000 1.449 174 S CA -0.032 58.207 58.200 0.065 0.000 0.965 174 S CB -0.353 62.922 63.200 0.125 0.000 1.459 174 S HN 0.383 nan 8.310 nan 0.000 0.476 175 H N 1.467 120.616 119.070 0.131 0.000 2.457 175 H HA -0.046 4.510 4.556 0.001 0.000 0.297 175 H C 1.229 176.664 175.328 0.180 0.000 1.092 175 H CA 1.166 57.303 56.048 0.149 0.000 1.309 175 H CB -0.048 29.780 29.762 0.110 0.000 1.382 175 H HN 0.529 nan 8.280 nan 0.000 0.535 176 D N -0.586 119.974 120.400 0.267 0.000 2.355 176 D HA -0.083 4.558 4.640 0.001 0.000 0.218 176 D C 1.846 178.288 176.300 0.236 0.000 1.004 176 D CA 0.097 54.231 54.000 0.223 0.000 0.880 176 D CB -0.231 40.658 40.800 0.149 0.000 0.911 176 D HN 0.364 nan 8.370 nan 0.000 0.528 177 Y N 1.855 122.226 120.300 0.120 0.000 2.133 177 Y HA -0.078 4.473 4.550 0.001 0.000 0.287 177 Y C -0.929 175.094 175.900 0.205 0.000 1.134 177 Y CA 1.404 59.578 58.100 0.123 0.000 1.133 177 Y CB -1.207 37.266 38.460 0.021 0.000 0.987 177 Y HN -0.029 nan 8.280 nan 0.000 0.502 178 P HA -0.268 nan 4.420 nan 0.000 0.214 178 P C 1.264 178.491 177.300 -0.122 0.000 1.172 178 P CA 2.924 65.957 63.100 -0.112 0.000 0.925 178 P CB -0.142 31.501 31.700 -0.096 0.000 0.793 179 Q N -2.431 117.401 119.800 0.054 0.000 2.230 179 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 179 Q C 2.032 178.072 176.000 0.067 0.000 0.963 179 Q CA 0.784 56.656 55.803 0.114 0.000 0.866 179 Q CB -0.590 28.302 28.738 0.258 0.000 0.931 179 Q HN 0.269 nan 8.270 nan 0.000 0.452 180 F N 1.292 121.195 119.950 -0.078 0.000 2.095 180 F HA -0.255 4.273 4.527 0.001 0.000 0.298 180 F C 1.832 177.529 175.800 -0.171 0.000 1.104 180 F CA 1.178 59.120 58.000 -0.097 0.000 1.232 180 F CB -0.285 38.659 39.000 -0.095 0.000 0.987 180 F HN 0.066 nan 8.300 nan 0.000 0.475 181 L N 0.916 121.875 121.223 -0.440 0.000 2.056 181 L HA -0.049 4.291 4.340 0.001 0.000 0.207 181 L C 2.503 179.178 176.870 -0.325 0.000 1.078 181 L CA 1.679 56.193 54.840 -0.542 0.000 0.749 181 L CB -1.018 40.724 42.059 -0.528 0.000 0.901 181 L HN 0.134 nan 8.230 nan 0.000 0.433 182 R N 0.055 120.433 120.500 -0.202 0.000 2.096 182 R HA -0.103 4.238 4.340 0.001 0.000 0.235 182 R C 2.344 178.593 176.300 -0.085 0.000 1.127 182 R CA 1.608 57.654 56.100 -0.090 0.000 0.968 182 R CB -0.347 29.947 30.300 -0.010 0.000 0.861 182 R HN 0.382 nan 8.270 nan 0.000 0.440 183 R N -0.954 119.467 120.500 -0.130 0.000 2.090 183 R HA 0.022 4.363 4.340 0.001 0.000 0.228 183 R C 2.242 178.451 176.300 -0.151 0.000 1.110 183 R CA 1.298 57.322 56.100 -0.128 0.000 0.973 183 R CB -0.245 29.981 30.300 -0.124 0.000 0.869 183 R HN 0.209 nan 8.270 nan 0.000 0.440 184 M N 1.558 121.005 119.600 -0.256 0.000 2.082 184 M HA -0.176 4.304 4.480 0.001 0.000 0.258 184 M C 1.420 177.683 176.300 -0.061 0.000 1.069 184 M CA 1.836 56.996 55.300 -0.233 0.000 1.102 184 M CB -0.827 31.526 32.600 -0.412 0.000 1.336 184 M HN 0.201 nan 8.290 nan 0.000 0.404 185 N N -0.688 117.988 118.700 -0.039 0.000 2.280 185 N HA 0.054 4.794 4.740 0.001 0.000 0.192 185 N C 1.406 177.088 175.510 0.287 0.000 1.109 185 N CA 0.900 54.030 53.050 0.133 0.000 0.855 185 N CB -0.923 37.570 38.487 0.009 0.000 0.974 185 N HN 0.222 nan 8.380 nan 0.000 0.482 186 G N 0.262 109.146 108.800 0.141 0.000 2.448 186 G HA2 -0.010 3.950 3.960 0.001 0.000 0.218 186 G HA3 -0.010 3.950 3.960 0.001 0.000 0.218 186 G C 0.644 175.624 174.900 0.134 0.000 1.135 186 G CA 0.371 45.546 45.100 0.126 0.000 0.784 186 G HN 0.350 nan 8.290 nan 0.000 0.543 187 L N -0.826 120.483 121.223 0.143 0.000 4.291 187 L HA -0.227 4.113 4.340 0.001 0.000 0.413 187 L C 2.177 179.119 176.870 0.120 0.000 1.162 187 L CA -0.047 54.876 54.840 0.138 0.000 0.961 187 L CB -1.558 40.569 42.059 0.113 0.000 2.095 187 L HN 0.316 nan 8.230 nan 0.000 0.838 188 G N -0.767 108.077 108.800 0.073 0.000 2.476 188 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 188 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 188 G C 1.053 176.057 174.900 0.174 0.000 1.164 188 G CA 1.341 46.492 45.100 0.085 0.000 0.768 188 G HN 0.729 nan 8.290 nan 0.000 0.560 189 H N -1.382 117.688 119.070 -0.000 0.000 2.462 189 H HA -0.030 4.526 4.556 0.001 0.000 0.292 189 H C 2.604 177.921 175.328 -0.017 0.000 1.049 189 H CA 0.490 56.523 56.048 -0.025 0.000 1.334 189 H CB 0.078 29.824 29.762 -0.027 0.000 1.404 189 H HN 0.439 nan 8.280 nan 0.000 0.544 190 C N 0.415 119.824 119.300 0.182 0.000 2.476 190 C HA -0.090 4.370 4.460 0.001 0.000 0.278 190 C C 2.775 177.886 174.990 0.203 0.000 1.274 190 C CA 0.482 59.604 59.018 0.174 0.000 1.713 190 C CB -0.982 26.925 27.740 0.278 0.000 2.039 190 C HN 0.300 nan 8.230 nan 0.000 0.484 191 V N 1.323 121.370 119.914 0.222 0.000 2.237 191 V HA -0.052 4.069 4.120 0.001 0.000 0.245 191 V C 2.790 178.811 176.094 -0.122 0.000 1.046 191 V CA 2.447 64.851 62.300 0.173 0.000 1.007 191 V CB -1.565 30.240 31.823 -0.029 0.000 0.638 191 V HN 0.695 nan 8.190 nan 0.000 0.445 192 G N -0.518 108.174 108.800 -0.180 0.000 2.476 192 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 192 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 192 G C 1.693 176.522 174.900 -0.118 0.000 1.164 192 G CA 1.213 46.173 45.100 -0.234 0.000 0.768 192 G HN 0.645 nan 8.290 nan 0.000 0.560 193 A N 0.881 123.667 122.820 -0.058 0.000 2.016 193 A HA 0.132 4.452 4.320 0.001 0.000 0.217 193 A C 2.575 180.104 177.584 -0.092 0.000 1.162 193 A CA 1.930 53.967 52.037 -0.001 0.000 0.662 193 A CB -0.474 18.439 19.000 -0.144 0.000 0.812 193 A HN 0.755 nan 8.150 nan 0.000 0.450 194 S N -0.277 115.330 115.700 -0.155 0.000 2.603 194 S HA 0.098 4.568 4.470 0.001 0.000 0.229 194 S C 1.315 176.130 174.600 0.359 0.000 0.972 194 S CA 0.618 58.771 58.200 -0.077 0.000 0.935 194 S CB -0.547 62.750 63.200 0.161 0.000 0.769 194 S HN 0.445 nan 8.310 nan 0.000 0.536 195 L N -0.724 120.338 121.223 -0.269 0.000 2.599 195 L HA 0.248 4.588 4.340 0.001 0.000 0.230 195 L C 0.033 176.267 176.870 -1.059 0.000 1.141 195 L CA 0.040 54.358 54.840 -0.869 0.000 0.877 195 L CB -0.193 40.868 42.059 -1.663 0.000 1.009 195 L HN 0.474 nan 8.230 nan 0.000 0.447 196 W N -0.085 121.281 121.300 0.109 0.000 1.986 196 W HA 0.364 5.025 4.660 0.001 0.000 0.287 196 W C -2.428 174.263 176.519 0.286 0.000 0.866 196 W CA -2.168 55.159 57.345 -0.031 0.000 2.056 196 W CB -0.232 29.083 29.460 -0.242 0.000 2.290 196 W HN -0.226 nan 8.180 nan 0.000 0.396 197 P HA -0.053 nan 4.420 nan 0.000 0.266 197 P C 1.038 178.443 177.300 0.174 0.000 1.195 197 P CA 0.192 63.247 63.100 -0.076 0.000 0.768 197 P CB 0.914 32.529 31.700 -0.142 0.000 0.838 198 K N 2.629 123.072 120.400 0.072 0.000 2.362 198 K HA -0.156 4.164 4.320 0.001 0.000 0.200 198 K C 1.485 178.136 176.600 0.084 0.000 1.046 198 K CA 1.225 57.592 56.287 0.134 0.000 0.952 198 K CB -0.214 32.345 32.500 0.099 0.000 0.753 198 K HN 0.364 nan 8.250 nan 0.000 0.466 199 E N 0.828 121.051 120.200 0.038 0.000 2.150 199 E HA -0.176 4.174 4.350 0.001 0.000 0.193 199 E C 1.307 177.896 176.600 -0.018 0.000 0.985 199 E CA 1.186 57.589 56.400 0.005 0.000 0.814 199 E CB 0.253 29.946 29.700 -0.012 0.000 0.752 199 E HN 0.456 nan 8.360 nan 0.000 0.466 200 Q N -1.554 118.248 119.800 0.003 0.000 2.353 200 Q HA 0.200 4.541 4.340 0.001 0.000 0.240 200 Q C -0.735 175.044 176.000 -0.368 0.000 0.868 200 Q CA 0.212 55.892 55.803 -0.204 0.000 0.944 200 Q CB 0.851 29.412 28.738 -0.296 0.000 1.104 200 Q HN 0.017 nan 8.270 nan 0.000 0.531 201 F N 0.334 120.346 119.950 0.103 0.000 2.565 201 F HA 0.394 4.921 4.527 0.001 0.000 0.313 201 F C -0.130 175.724 175.800 0.089 0.000 1.091 201 F CA -1.415 56.654 58.000 0.116 0.000 0.915 201 F CB 1.223 40.350 39.000 0.211 0.000 1.208 201 F HN -0.193 nan 8.300 nan 0.000 0.453 202 N N 2.358 121.203 118.700 0.242 0.000 2.420 202 N HA 0.045 4.785 4.740 0.001 0.000 0.249 202 N C 0.836 176.434 175.510 0.146 0.000 1.033 202 N CA 0.231 53.373 53.050 0.153 0.000 0.944 202 N CB 1.004 39.545 38.487 0.090 0.000 1.113 202 N HN 0.890 nan 8.380 nan 0.000 0.502 203 E N 3.177 123.474 120.200 0.162 0.000 2.130 203 E HA -0.208 4.142 4.350 0.001 0.000 0.196 203 E C 1.057 177.744 176.600 0.145 0.000 0.998 203 E CA 1.436 57.931 56.400 0.159 0.000 0.806 203 E CB 0.365 30.198 29.700 0.223 0.000 0.738 203 E HN 0.565 nan 8.360 nan 0.000 0.459 204 R N -0.493 120.078 120.500 0.118 0.000 2.093 204 R HA 0.039 4.379 4.340 0.001 0.000 0.224 204 R C 2.531 178.867 176.300 0.060 0.000 1.101 204 R CA 1.240 57.389 56.100 0.082 0.000 0.979 204 R CB 0.033 30.350 30.300 0.029 0.000 0.877 204 R HN 0.013 nan 8.270 nan 0.000 0.441 205 S N 0.996 116.727 115.700 0.051 0.000 2.402 205 S HA 0.009 4.480 4.470 0.001 0.000 0.229 205 S C 1.369 175.985 174.600 0.027 0.000 1.021 205 S CA 0.871 59.091 58.200 0.033 0.000 0.974 205 S CB 0.095 63.316 63.200 0.035 0.000 0.800 205 S HN 0.208 nan 8.310 nan 0.000 0.484 206 L N 0.379 121.613 121.223 0.019 0.000 3.017 206 L HA 0.364 4.704 4.340 0.001 0.000 0.255 206 L C 1.108 177.912 176.870 -0.110 0.000 1.247 206 L CA -0.191 54.615 54.840 -0.057 0.000 1.038 206 L CB -0.193 41.800 42.059 -0.111 0.000 1.380 206 L HN 0.135 nan 8.230 nan 0.000 0.548 207 F N 1.167 121.016 119.950 -0.169 0.000 2.087 207 F HA -0.296 4.232 4.527 0.001 0.000 0.299 207 F C 1.973 177.642 175.800 -0.219 0.000 1.100 207 F CA 1.957 59.814 58.000 -0.239 0.000 1.226 207 F CB 0.105 38.939 39.000 -0.277 0.000 0.983 207 F HN 0.058 nan 8.300 nan 0.000 0.479 208 L N -0.002 121.231 121.223 0.016 0.000 2.056 208 L HA -0.184 4.157 4.340 0.001 0.000 0.207 208 L C 2.563 179.360 176.870 -0.121 0.000 1.078 208 L CA 1.450 56.269 54.840 -0.035 0.000 0.749 208 L CB -0.979 41.091 42.059 0.018 0.000 0.901 208 L HN 0.215 nan 8.230 nan 0.000 0.433 209 E N 0.671 120.790 120.200 -0.135 0.000 2.106 209 E HA -0.168 4.183 4.350 0.001 0.000 0.192 209 E C 2.198 178.635 176.600 -0.273 0.000 0.984 209 E CA 1.174 57.515 56.400 -0.100 0.000 0.806 209 E CB -0.414 29.227 29.700 -0.097 0.000 0.750 209 E HN 0.534 nan 8.360 nan 0.000 0.458 210 I N 1.662 121.917 120.570 -0.525 0.000 2.202 210 I HA -0.208 3.963 4.170 0.001 0.000 0.242 210 I C 2.358 178.262 176.117 -0.356 0.000 1.091 210 I CA 1.535 62.404 61.300 -0.718 0.000 1.368 210 I CB -0.518 37.030 38.000 -0.754 0.000 1.058 210 I HN 0.066 nan 8.210 nan 0.000 0.410 211 T N 0.159 114.501 114.554 -0.354 0.000 2.746 211 T HA -0.153 4.198 4.350 0.001 0.000 0.267 211 T C 2.119 176.748 174.700 -0.118 0.000 1.039 211 T CA 1.823 63.783 62.100 -0.234 0.000 1.142 211 T CB -0.159 68.500 68.868 -0.348 0.000 0.866 211 T HN 0.282 nan 8.240 nan 0.000 0.444 212 S N 1.321 116.979 115.700 -0.069 0.000 2.368 212 S HA -0.017 4.454 4.470 0.001 0.000 0.225 212 S C 2.566 177.265 174.600 0.164 0.000 1.030 212 S CA 0.929 59.159 58.200 0.049 0.000 0.999 212 S CB -0.510 62.728 63.200 0.064 0.000 0.844 212 S HN 0.591 nan 8.310 nan 0.000 0.459 213 A N 1.452 124.355 122.820 0.137 0.000 1.933 213 A HA -0.012 4.308 4.320 0.001 0.000 0.218 213 A C 2.049 179.617 177.584 -0.026 0.000 1.175 213 A CA 1.042 53.088 52.037 0.015 0.000 0.628 213 A CB -0.673 18.260 19.000 -0.113 0.000 0.814 213 A HN 0.481 nan 8.150 nan 0.000 0.444 214 I N -0.301 120.238 120.570 -0.052 0.000 2.179 214 I HA -0.291 3.880 4.170 0.001 0.000 0.242 214 I C 2.989 179.029 176.117 -0.128 0.000 1.088 214 I CA 1.126 62.352 61.300 -0.123 0.000 1.357 214 I CB -0.409 37.456 38.000 -0.224 0.000 1.051 214 I HN 0.370 nan 8.210 nan 0.000 0.409 215 A N 0.114 122.877 122.820 -0.095 0.000 1.902 215 A HA -0.240 4.080 4.320 0.001 0.000 0.217 215 A C 2.252 179.836 177.584 -0.001 0.000 1.181 215 A CA 1.585 53.596 52.037 -0.044 0.000 0.623 215 A CB -0.527 18.463 19.000 -0.017 0.000 0.818 215 A HN 0.476 nan 8.150 nan 0.000 0.443 216 Q N -2.048 117.772 119.800 0.035 0.000 2.163 216 Q HA -0.012 4.329 4.340 0.001 0.000 0.198 216 Q C 2.034 178.060 176.000 0.044 0.000 0.954 216 Q CA 1.317 57.158 55.803 0.062 0.000 0.851 216 Q CB -0.142 28.687 28.738 0.152 0.000 0.928 216 Q HN 0.632 nan 8.270 nan 0.000 0.459 217 M N 1.150 120.745 119.600 -0.007 0.000 2.374 217 M HA -0.141 4.340 4.480 0.001 0.000 0.264 217 M C 1.735 178.022 176.300 -0.022 0.000 1.067 217 M CA 1.392 56.670 55.300 -0.037 0.000 1.103 217 M CB -0.013 32.458 32.600 -0.216 0.000 1.402 217 M HN 0.156 nan 8.290 nan 0.000 0.444 218 E N -0.110 120.067 120.200 -0.038 0.000 2.038 218 E HA -0.263 4.088 4.350 0.001 0.000 0.195 218 E C 1.485 177.984 176.600 -0.167 0.000 1.000 218 E CA 1.888 58.266 56.400 -0.037 0.000 0.803 218 E CB -0.107 29.627 29.700 0.057 0.000 0.750 218 E HN 0.558 nan 8.360 nan 0.000 0.448 219 N N -0.137 118.381 118.700 -0.302 0.000 2.135 219 N HA -0.143 4.598 4.740 0.001 0.000 0.186 219 N C 1.310 176.474 175.510 -0.576 0.000 1.027 219 N CA 1.183 53.745 53.050 -0.814 0.000 0.849 219 N CB -0.783 37.015 38.487 -1.149 0.000 1.002 219 N HN 0.350 nan 8.380 nan 0.000 0.425 220 W N 2.155 123.303 121.300 -0.254 0.000 2.315 220 W HA -0.160 4.501 4.660 0.001 0.000 0.323 220 W C 2.389 178.944 176.519 0.060 0.000 1.233 220 W CA 1.651 59.002 57.345 0.009 0.000 1.267 220 W CB -0.420 29.072 29.460 0.053 0.000 1.160 220 W HN -0.050 nan 8.180 nan 0.000 0.474 221 M N 0.771 120.547 119.600 0.293 0.000 2.226 221 M HA -0.254 4.226 4.480 0.001 0.000 0.257 221 M C 2.098 178.470 176.300 0.121 0.000 1.070 221 M CA 3.039 58.460 55.300 0.201 0.000 1.087 221 M CB -1.612 31.050 32.600 0.103 0.000 1.278 221 M HN 0.141 nan 8.290 nan 0.000 0.426 222 V N -2.176 117.742 119.914 0.005 0.000 2.358 222 V HA -0.220 3.901 4.120 0.001 0.000 0.246 222 V C 2.103 178.276 176.094 0.131 0.000 1.047 222 V CA 1.517 63.846 62.300 0.048 0.000 1.035 222 V CB -1.590 30.197 31.823 -0.060 0.000 0.658 222 V HN 0.513 nan 8.190 nan 0.000 0.452 223 W N 0.376 121.671 121.300 -0.008 0.000 2.388 223 W HA 0.082 4.742 4.660 0.001 0.000 0.294 223 W C 2.674 179.091 176.519 -0.169 0.000 1.212 223 W CA 0.926 58.234 57.345 -0.062 0.000 1.271 223 W CB -1.286 28.137 29.460 -0.061 0.000 1.126 223 W HN 0.187 nan 8.180 nan 0.000 0.535 224 V N 1.109 120.947 119.914 -0.127 0.000 2.343 224 V HA -0.321 3.800 4.120 0.001 0.000 0.247 224 V C 2.384 178.310 176.094 -0.279 0.000 1.051 224 V CA 2.232 64.308 62.300 -0.374 0.000 1.036 224 V CB -0.907 30.445 31.823 -0.783 0.000 0.654 224 V HN 0.283 nan 8.190 nan 0.000 0.451 225 N N -0.126 118.538 118.700 -0.061 0.000 2.166 225 N HA -0.208 4.532 4.740 0.001 0.000 0.186 225 N C 1.526 177.100 175.510 0.105 0.000 1.019 225 N CA 1.572 54.643 53.050 0.035 0.000 0.856 225 N CB -0.097 38.617 38.487 0.377 0.000 0.993 225 N HN 0.463 nan 8.380 nan 0.000 0.426 226 D N 0.917 121.407 120.400 0.150 0.000 2.144 226 D HA -0.138 4.502 4.640 0.001 0.000 0.199 226 D C 1.996 178.414 176.300 0.198 0.000 0.984 226 D CA 0.500 54.615 54.000 0.192 0.000 0.834 226 D CB -0.042 40.889 40.800 0.217 0.000 0.955 226 D HN 0.283 nan 8.370 nan 0.000 0.465 227 L N 0.468 121.759 121.223 0.113 0.000 2.023 227 L HA -0.072 4.269 4.340 0.001 0.000 0.205 227 L C 2.154 179.192 176.870 0.280 0.000 1.073 227 L CA 1.271 56.203 54.840 0.153 0.000 0.745 227 L CB -0.374 41.680 42.059 -0.007 0.000 0.900 227 L HN -0.118 nan 8.230 nan 0.000 0.435 228 M N -1.111 118.520 119.600 0.051 0.000 2.358 228 M HA -0.103 4.377 4.480 0.001 0.000 0.264 228 M C 2.100 178.521 176.300 0.201 0.000 1.064 228 M CA 1.107 56.432 55.300 0.043 0.000 1.093 228 M CB -1.222 31.078 32.600 -0.500 0.000 1.401 228 M HN 0.280 nan 8.290 nan 0.000 0.440 229 S N -0.175 115.668 115.700 0.238 0.000 2.528 229 S HA 0.032 4.502 4.470 0.001 0.000 0.219 229 S C 1.417 176.176 174.600 0.265 0.000 0.985 229 S CA -0.146 58.255 58.200 0.334 0.000 0.914 229 S CB -0.350 63.045 63.200 0.325 0.000 0.776 229 S HN 0.388 nan 8.310 nan 0.000 0.526 230 F N 1.486 121.548 119.950 0.187 0.000 2.307 230 F HA -0.155 4.373 4.527 0.001 0.000 0.301 230 F C 1.811 177.736 175.800 0.208 0.000 1.076 230 F CA 1.004 59.121 58.000 0.196 0.000 1.383 230 F CB -0.277 38.846 39.000 0.206 0.000 1.055 230 F HN 0.296 nan 8.300 nan 0.000 0.526 231 Y N 1.735 121.941 120.300 -0.158 0.000 2.206 231 Y HA -0.102 4.448 4.550 0.001 0.000 0.292 231 Y C 2.458 178.140 175.900 -0.362 0.000 1.123 231 Y CA 2.145 59.928 58.100 -0.528 0.000 1.142 231 Y CB -0.702 37.351 38.460 -0.678 0.000 1.006 231 Y HN 0.167 nan 8.280 nan 0.000 0.518 232 K N -0.140 120.071 120.400 -0.315 0.000 2.155 232 K HA -0.121 4.200 4.320 0.001 0.000 0.203 232 K C 1.540 177.982 176.600 -0.263 0.000 1.052 232 K CA 1.917 58.006 56.287 -0.330 0.000 0.948 232 K CB -0.364 32.066 32.500 -0.116 0.000 0.728 232 K HN 0.376 nan 8.250 nan 0.000 0.448 233 E N 0.073 120.163 120.200 -0.183 0.000 2.299 233 E HA -0.069 4.282 4.350 0.001 0.000 0.193 233 E C 1.487 177.965 176.600 -0.203 0.000 0.998 233 E CA 0.177 56.489 56.400 -0.147 0.000 0.851 233 E CB -0.178 29.487 29.700 -0.060 0.000 0.795 233 E HN 0.237 nan 8.360 nan 0.000 0.492 234 F N 2.237 121.901 119.950 -0.475 0.000 2.063 234 F HA -0.282 4.245 4.527 0.001 0.000 0.298 234 F C 1.432 177.088 175.800 -0.240 0.000 1.105 234 F CA 1.749 59.486 58.000 -0.438 0.000 1.215 234 F CB 0.239 38.996 39.000 -0.404 0.000 0.972 234 F HN -0.085 nan 8.300 nan 0.000 0.483 235 D N -0.521 119.769 120.400 -0.183 0.000 2.593 235 D HA 0.029 4.669 4.640 0.001 0.000 0.241 235 D C -0.506 175.700 176.300 -0.158 0.000 1.257 235 D CA 0.050 53.935 54.000 -0.193 0.000 0.828 235 D CB -0.346 40.405 40.800 -0.081 0.000 1.049 235 D HN 0.200 nan 8.370 nan 0.000 0.490 236 D N 1.339 121.643 120.400 -0.161 0.000 2.483 236 D HA 0.032 4.673 4.640 0.001 0.000 0.220 236 D C 1.112 177.351 176.300 -0.102 0.000 1.173 236 D CA -0.016 53.911 54.000 -0.122 0.000 0.964 236 D CB 0.499 41.231 40.800 -0.113 0.000 1.046 236 D HN 0.092 nan 8.370 nan 0.000 0.517 237 E N 1.863 122.008 120.200 -0.091 0.000 2.333 237 E HA -0.143 4.207 4.350 0.001 0.000 0.198 237 E C 1.574 178.141 176.600 -0.055 0.000 1.007 237 E CA 0.535 56.891 56.400 -0.073 0.000 0.845 237 E CB 0.456 30.117 29.700 -0.064 0.000 0.766 237 E HN 0.427 nan 8.360 nan 0.000 0.507 238 R N 0.933 121.400 120.500 -0.054 0.000 2.062 238 R HA -0.056 4.285 4.340 0.001 0.000 0.226 238 R C 0.801 177.080 176.300 -0.036 0.000 1.125 238 R CA 0.767 56.841 56.100 -0.043 0.000 0.966 238 R CB -0.159 30.114 30.300 -0.045 0.000 0.861 238 R HN 0.009 nan 8.270 nan 0.000 0.433 239 D N 0.951 121.326 120.400 -0.042 0.000 2.367 239 D HA -0.026 4.615 4.640 0.001 0.000 0.255 239 D C 0.361 176.646 176.300 -0.025 0.000 1.300 239 D CA 0.342 54.325 54.000 -0.029 0.000 0.959 239 D CB 0.792 41.572 40.800 -0.032 0.000 1.064 239 D HN 0.070 nan 8.370 nan 0.000 0.509 240 Q N 2.423 122.216 119.800 -0.011 0.000 2.350 240 Q HA 0.205 4.546 4.340 0.001 0.000 0.225 240 Q C 0.581 176.585 176.000 0.008 0.000 0.878 240 Q CA 0.305 56.105 55.803 -0.006 0.000 0.935 240 Q CB 0.637 29.374 28.738 -0.002 0.000 1.099 240 Q HN 0.694 nan 8.270 nan 0.000 0.527 241 I N -1.176 119.405 120.570 0.018 0.000 3.064 241 I HA 0.403 4.574 4.170 0.001 0.000 0.340 241 I C -0.045 176.085 176.117 0.022 0.000 1.405 241 I CA -0.853 60.463 61.300 0.025 0.000 0.912 241 I CB 0.595 38.623 38.000 0.048 0.000 1.993 241 I HN -0.151 nan 8.210 nan 0.000 0.547 242 S N 0.852 116.567 115.700 0.026 0.000 2.614 242 S HA 0.278 4.749 4.470 0.001 0.000 0.265 242 S C 1.035 175.630 174.600 -0.008 0.000 1.303 242 S CA -0.706 57.515 58.200 0.035 0.000 1.000 242 S CB 2.105 65.350 63.200 0.076 0.000 0.935 242 S HN 0.521 nan 8.310 nan 0.000 0.551 243 L N 2.408 123.609 121.223 -0.037 0.000 2.021 243 L HA -0.114 4.227 4.340 0.001 0.000 0.215 243 L C 2.335 179.038 176.870 -0.278 0.000 1.074 243 L CA 1.864 56.583 54.840 -0.202 0.000 0.760 243 L CB -1.052 40.928 42.059 -0.131 0.000 0.889 243 L HN 0.701 nan 8.230 nan 0.000 0.433 244 V N -0.261 119.646 119.914 -0.010 0.000 2.287 244 V HA -0.334 3.786 4.120 0.001 0.000 0.248 244 V C 2.611 178.798 176.094 0.154 0.000 1.053 244 V CA 2.320 64.716 62.300 0.161 0.000 1.027 244 V CB -0.658 31.331 31.823 0.276 0.000 0.646 244 V HN 0.500 nan 8.190 nan 0.000 0.447 245 K N 0.055 120.515 120.400 0.100 0.000 2.148 245 K HA -0.107 4.213 4.320 0.001 0.000 0.204 245 K C 1.852 178.485 176.600 0.055 0.000 1.050 245 K CA 1.291 57.624 56.287 0.078 0.000 0.942 245 K CB -0.251 32.277 32.500 0.046 0.000 0.724 245 K HN 0.456 nan 8.250 nan 0.000 0.446 246 N N 0.107 118.813 118.700 0.011 0.000 2.409 246 N HA -0.104 4.636 4.740 0.001 0.000 0.179 246 N C 1.481 177.047 175.510 0.093 0.000 1.032 246 N CA 0.944 54.005 53.050 0.019 0.000 0.898 246 N CB -0.144 38.345 38.487 0.003 0.000 0.971 246 N HN 0.186 nan 8.380 nan 0.000 0.441 247 Y N 1.402 121.737 120.300 0.058 0.000 2.163 247 Y HA -0.070 4.480 4.550 0.001 0.000 0.288 247 Y C 2.474 178.392 175.900 0.030 0.000 1.136 247 Y CA 0.215 58.338 58.100 0.039 0.000 1.147 247 Y CB -0.826 37.640 38.460 0.011 0.000 0.987 247 Y HN -0.203 nan 8.280 nan 0.000 0.509 248 V N -0.931 119.106 119.914 0.204 0.000 2.233 248 V HA -0.314 3.807 4.120 0.001 0.000 0.247 248 V C 2.343 178.493 176.094 0.093 0.000 1.050 248 V CA 1.918 64.290 62.300 0.120 0.000 1.010 248 V CB -1.148 30.733 31.823 0.096 0.000 0.637 248 V HN 0.203 nan 8.190 nan 0.000 0.444 249 V N -0.410 119.549 119.914 0.075 0.000 2.261 249 V HA -0.231 3.889 4.120 0.001 0.000 0.246 249 V C 2.547 178.681 176.094 0.067 0.000 1.047 249 V CA 2.439 64.766 62.300 0.044 0.000 1.015 249 V CB -0.731 31.083 31.823 -0.015 0.000 0.642 249 V HN 0.528 nan 8.190 nan 0.000 0.446 250 S N -0.156 115.600 115.700 0.093 0.000 2.383 250 S HA -0.151 4.319 4.470 0.001 0.000 0.227 250 S C 1.546 176.301 174.600 0.259 0.000 1.026 250 S CA 1.466 59.761 58.200 0.157 0.000 0.981 250 S CB -0.268 63.055 63.200 0.206 0.000 0.818 250 S HN 0.628 nan 8.310 nan 0.000 0.472 251 D N 0.568 121.085 120.400 0.195 0.000 2.360 251 D HA 0.105 4.746 4.640 0.001 0.000 0.210 251 D C -0.170 176.170 176.300 0.067 0.000 1.047 251 D CA 0.110 54.157 54.000 0.078 0.000 0.854 251 D CB -0.111 40.642 40.800 -0.077 0.000 0.936 251 D HN 0.419 nan 8.370 nan 0.000 0.514 252 E N 0.483 120.737 120.200 0.090 0.000 2.252 252 E HA -0.193 4.158 4.350 0.001 0.000 0.199 252 E C -0.017 176.605 176.600 0.036 0.000 1.352 252 E CA 0.192 56.632 56.400 0.068 0.000 0.682 252 E CB -1.875 27.873 29.700 0.081 0.000 1.142 252 E HN 0.529 nan 8.360 nan 0.000 0.367 253 I N -3.241 117.348 120.570 0.032 0.000 3.174 253 I HA 0.597 4.767 4.170 0.001 0.000 0.313 253 I C 0.496 176.636 176.117 0.038 0.000 1.155 253 I CA -1.190 60.119 61.300 0.015 0.000 0.977 253 I CB 2.006 39.991 38.000 -0.025 0.000 1.248 253 I HN 0.057 nan 8.210 nan 0.000 0.453 254 S N 2.042 117.768 115.700 0.044 0.000 2.585 254 S HA 0.154 4.624 4.470 0.001 0.000 0.273 254 S C 0.861 175.519 174.600 0.097 0.000 1.339 254 S CA -0.571 57.673 58.200 0.073 0.000 1.028 254 S CB 1.448 64.701 63.200 0.090 0.000 0.906 254 S HN 0.795 nan 8.310 nan 0.000 0.528 255 L N 1.282 122.579 121.223 0.123 0.000 2.129 255 L HA -0.120 4.221 4.340 0.001 0.000 0.212 255 L C 2.301 179.271 176.870 0.168 0.000 1.087 255 L CA 2.455 57.391 54.840 0.161 0.000 0.757 255 L CB -1.250 40.918 42.059 0.182 0.000 0.896 255 L HN 1.038 nan 8.230 nan 0.000 0.434 256 H N -0.453 118.667 119.070 0.082 0.000 2.357 256 H HA -0.117 4.440 4.556 0.001 0.000 0.301 256 H C 2.088 177.412 175.328 -0.007 0.000 1.082 256 H CA 2.174 58.248 56.048 0.044 0.000 1.342 256 H CB 0.072 29.841 29.762 0.012 0.000 1.389 256 H HN 0.527 nan 8.280 nan 0.000 0.511 257 E N -0.136 120.057 120.200 -0.012 0.000 2.106 257 E HA -0.128 4.223 4.350 0.001 0.000 0.192 257 E C 2.338 178.845 176.600 -0.155 0.000 0.984 257 E CA 0.674 57.017 56.400 -0.096 0.000 0.806 257 E CB -0.111 29.568 29.700 -0.035 0.000 0.750 257 E HN 0.608 nan 8.360 nan 0.000 0.458 258 A N 1.214 123.982 122.820 -0.087 0.000 1.933 258 A HA -0.158 4.163 4.320 0.001 0.000 0.218 258 A C 2.145 179.667 177.584 -0.103 0.000 1.175 258 A CA 1.004 53.002 52.037 -0.066 0.000 0.628 258 A CB -0.379 18.699 19.000 0.131 0.000 0.814 258 A HN 0.237 nan 8.150 nan 0.000 0.444 259 L N -0.475 120.649 121.223 -0.165 0.000 2.313 259 L HA 0.030 4.371 4.340 0.001 0.000 0.214 259 L C 1.931 178.663 176.870 -0.230 0.000 1.119 259 L CA 1.772 56.436 54.840 -0.293 0.000 0.809 259 L CB -0.351 41.439 42.059 -0.449 0.000 0.933 259 L HN 0.472 nan 8.230 nan 0.000 0.449 260 E N -0.569 119.498 120.200 -0.221 0.000 2.076 260 E HA -0.218 4.133 4.350 0.001 0.000 0.190 260 E C 1.976 178.474 176.600 -0.171 0.000 0.979 260 E CA 0.856 57.175 56.400 -0.135 0.000 0.807 260 E CB 0.008 29.595 29.700 -0.187 0.000 0.761 260 E HN 0.418 nan 8.360 nan 0.000 0.454 261 K N 0.874 121.127 120.400 -0.244 0.000 2.026 261 K HA -0.188 4.133 4.320 0.001 0.000 0.208 261 K C 2.239 178.641 176.600 -0.330 0.000 1.048 261 K CA 0.939 57.033 56.287 -0.322 0.000 0.929 261 K CB -0.092 32.099 32.500 -0.515 0.000 0.713 261 K HN 0.034 nan 8.250 nan 0.000 0.439 262 L N 1.264 122.326 121.223 -0.270 0.000 2.046 262 L HA -0.159 4.181 4.340 0.001 0.000 0.208 262 L C 2.363 179.057 176.870 -0.293 0.000 1.077 262 L CA 2.556 57.233 54.840 -0.273 0.000 0.747 262 L CB -0.928 41.051 42.059 -0.133 0.000 0.896 262 L HN 0.454 nan 8.230 nan 0.000 0.432 263 T N -3.799 110.605 114.554 -0.250 0.000 2.904 263 T HA -0.165 4.185 4.350 0.001 0.000 0.267 263 T C 1.801 176.393 174.700 -0.180 0.000 1.059 263 T CA 1.282 63.239 62.100 -0.238 0.000 1.137 263 T CB -0.376 68.312 68.868 -0.301 0.000 0.879 263 T HN 0.526 nan 8.240 nan 0.000 0.467 264 Q N 0.672 120.377 119.800 -0.160 0.000 2.046 264 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 264 Q C 2.205 178.157 176.000 -0.079 0.000 0.975 264 Q CA 1.675 57.419 55.803 -0.098 0.000 0.836 264 Q CB -0.123 28.555 28.738 -0.100 0.000 0.896 264 Q HN 0.547 nan 8.270 nan 0.000 0.428 265 D N -0.213 120.040 120.400 -0.244 0.000 2.117 265 D HA -0.124 4.516 4.640 0.001 0.000 0.197 265 D C 1.871 178.132 176.300 -0.065 0.000 0.987 265 D CA 1.502 55.285 54.000 -0.363 0.000 0.829 265 D CB -0.263 39.791 40.800 -1.244 0.000 0.961 265 D HN 0.200 nan 8.370 nan 0.000 0.460 266 T N 1.415 115.916 114.554 -0.089 0.000 2.708 266 T HA -0.073 4.278 4.350 0.001 0.000 0.266 266 T C 2.271 177.041 174.700 0.117 0.000 1.037 266 T CA 0.619 62.767 62.100 0.081 0.000 1.146 266 T CB -0.307 68.513 68.868 -0.081 0.000 0.865 266 T HN 0.116 nan 8.240 nan 0.000 0.435 267 L N -0.007 121.224 121.223 0.015 0.000 2.017 267 L HA -0.137 4.204 4.340 0.001 0.000 0.208 267 L C 2.593 179.644 176.870 0.300 0.000 1.073 267 L CA 1.721 56.554 54.840 -0.012 0.000 0.745 267 L CB -0.762 41.202 42.059 -0.158 0.000 0.894 267 L HN 0.470 nan 8.230 nan 0.000 0.432 268 H N -0.772 118.405 119.070 0.179 0.000 2.321 268 H HA -0.203 4.353 4.556 0.001 0.000 0.300 268 H C 2.594 178.100 175.328 0.296 0.000 1.087 268 H CA 1.367 57.551 56.048 0.227 0.000 1.319 268 H CB 0.352 30.209 29.762 0.158 0.000 1.379 268 H HN 0.234 nan 8.280 nan 0.000 0.501 269 S N -0.401 115.508 115.700 0.349 0.000 2.383 269 S HA -0.159 4.311 4.470 0.001 0.000 0.229 269 S C 2.296 177.164 174.600 0.448 0.000 1.030 269 S CA 1.547 59.968 58.200 0.368 0.000 1.002 269 S CB -0.255 63.292 63.200 0.579 0.000 0.829 269 S HN 0.468 nan 8.310 nan 0.000 0.467 270 S N 1.240 117.274 115.700 0.557 0.000 2.356 270 S HA -0.046 4.425 4.470 0.001 0.000 0.223 270 S C 1.896 176.725 174.600 0.381 0.000 1.032 270 S CA 1.066 59.590 58.200 0.540 0.000 1.005 270 S CB -0.328 63.232 63.200 0.599 0.000 0.867 270 S HN 0.529 nan 8.310 nan 0.000 0.449 271 K N 0.838 121.502 120.400 0.440 0.000 2.001 271 K HA -0.127 4.193 4.320 0.001 0.000 0.214 271 K C 2.371 179.088 176.600 0.195 0.000 1.050 271 K CA 1.316 57.782 56.287 0.299 0.000 0.934 271 K CB -0.253 32.432 32.500 0.310 0.000 0.718 271 K HN 0.216 nan 8.250 nan 0.000 0.443 272 Q N 0.059 119.973 119.800 0.190 0.000 2.234 272 Q HA -0.139 4.201 4.340 0.001 0.000 0.206 272 Q C 1.999 178.049 176.000 0.084 0.000 0.980 272 Q CA 1.158 57.020 55.803 0.100 0.000 0.869 272 Q CB -0.225 28.531 28.738 0.030 0.000 0.912 272 Q HN 0.355 nan 8.270 nan 0.000 0.436 273 M N -0.342 119.333 119.600 0.126 0.000 2.086 273 M HA -0.127 4.353 4.480 0.001 0.000 0.261 273 M C 2.212 178.615 176.300 0.171 0.000 1.067 273 M CA 1.063 56.452 55.300 0.148 0.000 1.116 273 M CB -0.703 31.882 32.600 -0.026 0.000 1.348 273 M HN 0.030 nan 8.290 nan 0.000 0.407 274 V N 0.310 120.288 119.914 0.107 0.000 2.237 274 V HA -0.242 3.878 4.120 0.001 0.000 0.245 274 V C 2.639 178.769 176.094 0.060 0.000 1.046 274 V CA 1.880 64.234 62.300 0.089 0.000 1.007 274 V CB -1.439 30.431 31.823 0.080 0.000 0.638 274 V HN 0.520 nan 8.190 nan 0.000 0.445 275 A N -0.284 122.560 122.820 0.040 0.000 1.927 275 A HA -0.222 4.099 4.320 0.001 0.000 0.220 275 A C 2.352 179.900 177.584 -0.060 0.000 1.185 275 A CA 2.578 54.616 52.037 0.002 0.000 0.639 275 A CB -0.755 18.253 19.000 0.015 0.000 0.820 275 A HN 0.376 nan 8.150 nan 0.000 0.451 276 V N -2.298 117.536 119.914 -0.133 0.000 2.446 276 V HA -0.086 4.035 4.120 0.001 0.000 0.244 276 V C 1.952 177.764 176.094 -0.469 0.000 1.039 276 V CA 1.616 63.697 62.300 -0.365 0.000 1.045 276 V CB -0.723 30.730 31.823 -0.617 0.000 0.681 276 V HN 0.551 nan 8.190 nan 0.000 0.459 277 F N 0.108 120.042 119.950 -0.027 0.000 2.749 277 F HA 0.125 4.653 4.527 0.001 0.000 0.300 277 F C 2.364 178.153 175.800 -0.017 0.000 1.103 277 F CA 0.316 58.298 58.000 -0.029 0.000 1.342 277 F CB -0.523 38.453 39.000 -0.039 0.000 1.098 277 F HN -0.007 nan 8.300 nan 0.000 0.586 278 S N 0.431 116.198 115.700 0.111 0.000 2.359 278 S HA -0.233 4.238 4.470 0.001 0.000 0.223 278 S C 1.615 176.251 174.600 0.059 0.000 1.039 278 S CA 1.887 60.133 58.200 0.076 0.000 1.042 278 S CB -0.500 62.726 63.200 0.045 0.000 0.915 278 S HN 0.553 nan 8.310 nan 0.000 0.439 279 D N 0.497 120.917 120.400 0.033 0.000 2.340 279 D HA 0.165 4.806 4.640 0.001 0.000 0.220 279 D C 0.499 176.816 176.300 0.028 0.000 1.039 279 D CA 0.190 54.204 54.000 0.023 0.000 0.866 279 D CB -0.045 40.757 40.800 0.002 0.000 0.913 279 D HN 0.102 nan 8.370 nan 0.000 0.523 280 K N 0.875 121.307 120.400 0.053 0.000 2.318 280 K HA 0.113 4.433 4.320 0.001 0.000 0.243 280 K C 0.190 176.839 176.600 0.081 0.000 1.047 280 K CA -0.664 55.662 56.287 0.066 0.000 0.937 280 K CB 0.107 32.679 32.500 0.120 0.000 1.225 280 K HN -0.107 nan 8.250 nan 0.000 0.506 281 D N 1.921 122.369 120.400 0.080 0.000 2.662 281 D HA -0.088 4.553 4.640 0.001 0.000 0.233 281 D C -1.451 174.909 176.300 0.099 0.000 1.129 281 D CA -0.689 53.359 54.000 0.079 0.000 0.851 281 D CB 0.742 41.593 40.800 0.085 0.000 1.152 281 D HN 0.176 nan 8.370 nan 0.000 0.507 282 P HA -0.214 nan 4.420 nan 0.000 0.216 282 P C 1.361 178.718 177.300 0.095 0.000 1.150 282 P CA 1.129 64.272 63.100 0.071 0.000 0.843 282 P CB 0.236 31.962 31.700 0.044 0.000 0.787 283 Q N -0.176 119.696 119.800 0.119 0.000 2.167 283 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 283 Q C 2.147 178.368 176.000 0.369 0.000 0.970 283 Q CA 1.123 57.032 55.803 0.176 0.000 0.855 283 Q CB -0.179 28.619 28.738 0.101 0.000 0.911 283 Q HN 0.072 nan 8.270 nan 0.000 0.438 284 V N 0.657 120.781 119.914 0.349 0.000 2.379 284 V HA -0.252 3.868 4.120 0.001 0.000 0.245 284 V C 2.261 178.458 176.094 0.172 0.000 1.044 284 V CA 1.642 64.138 62.300 0.327 0.000 1.036 284 V CB -0.431 31.441 31.823 0.080 0.000 0.664 284 V HN 0.430 nan 8.190 nan 0.000 0.453 285 M N 0.758 120.425 119.600 0.111 0.000 2.213 285 M HA -0.144 4.337 4.480 0.001 0.000 0.263 285 M C 1.610 177.911 176.300 0.002 0.000 1.062 285 M CA 1.846 57.172 55.300 0.044 0.000 1.105 285 M CB -0.743 31.905 32.600 0.080 0.000 1.385 285 M HN 0.368 nan 8.290 nan 0.000 0.417 286 D N -1.032 119.397 120.400 0.047 0.000 2.084 286 D HA -0.142 4.498 4.640 0.001 0.000 0.194 286 D C 1.627 177.908 176.300 -0.031 0.000 0.990 286 D CA 1.969 55.977 54.000 0.014 0.000 0.826 286 D CB -0.200 40.627 40.800 0.044 0.000 0.971 286 D HN 0.390 nan 8.370 nan 0.000 0.453 287 T N 0.070 114.628 114.554 0.007 0.000 2.746 287 T HA -0.090 4.261 4.350 0.001 0.000 0.267 287 T C 2.099 176.640 174.700 -0.264 0.000 1.039 287 T CA 0.914 62.924 62.100 -0.149 0.000 1.142 287 T CB -0.248 68.452 68.868 -0.281 0.000 0.866 287 T HN 0.182 nan 8.240 nan 0.000 0.444 288 I N 0.625 121.051 120.570 -0.240 0.000 2.226 288 I HA -0.159 4.012 4.170 0.001 0.000 0.245 288 I C 2.704 178.646 176.117 -0.292 0.000 1.100 288 I CA 1.305 62.413 61.300 -0.321 0.000 1.374 288 I CB -0.300 37.461 38.000 -0.398 0.000 1.057 288 I HN 0.232 nan 8.210 nan 0.000 0.413 289 E N 0.622 120.669 120.200 -0.255 0.000 2.031 289 E HA -0.231 4.119 4.350 0.001 0.000 0.193 289 E C 2.261 178.616 176.600 -0.408 0.000 0.994 289 E CA 1.833 58.025 56.400 -0.348 0.000 0.800 289 E CB -0.237 29.337 29.700 -0.209 0.000 0.752 289 E HN 0.453 nan 8.360 nan 0.000 0.447 290 C N 0.029 119.203 119.300 -0.211 0.000 2.432 290 C HA -0.030 4.431 4.460 0.001 0.000 0.280 290 C C 2.389 177.336 174.990 -0.071 0.000 1.353 290 C CA 0.557 59.509 59.018 -0.109 0.000 1.766 290 C CB -1.291 26.401 27.740 -0.079 0.000 1.924 290 C HN 0.523 nan 8.230 nan 0.000 0.509 291 F N 1.227 121.011 119.950 -0.275 0.000 2.128 291 F HA -0.077 4.450 4.527 0.001 0.000 0.295 291 F C 2.318 178.065 175.800 -0.089 0.000 1.100 291 F CA 1.643 59.472 58.000 -0.285 0.000 1.260 291 F CB -0.478 38.201 39.000 -0.534 0.000 1.009 291 F HN 0.081 nan 8.300 nan 0.000 0.476 292 M N -0.483 119.003 119.600 -0.191 0.000 2.108 292 M HA -0.265 4.216 4.480 0.001 0.000 0.261 292 M C 2.233 178.687 176.300 0.256 0.000 1.066 292 M CA 2.188 57.406 55.300 -0.137 0.000 1.107 292 M CB -1.098 31.181 32.600 -0.534 0.000 1.356 292 M HN 0.319 nan 8.290 nan 0.000 0.406 293 H N -1.056 118.098 119.070 0.141 0.000 2.333 293 H HA -0.029 4.527 4.556 0.001 0.000 0.302 293 H C 2.347 177.851 175.328 0.293 0.000 1.075 293 H CA 0.745 56.972 56.048 0.298 0.000 1.348 293 H CB -0.264 29.612 29.762 0.190 0.000 1.393 293 H HN 0.473 nan 8.280 nan 0.000 0.509 294 G N 0.182 109.162 108.800 0.298 0.000 2.422 294 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 294 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 294 G C 1.453 176.548 174.900 0.325 0.000 1.146 294 G CA 0.713 45.982 45.100 0.282 0.000 0.769 294 G HN 0.367 nan 8.290 nan 0.000 0.547 295 Y N 1.134 121.420 120.300 -0.022 0.000 2.181 295 Y HA -0.105 4.446 4.550 0.001 0.000 0.288 295 Y C 2.884 178.992 175.900 0.347 0.000 1.146 295 Y CA 1.206 59.327 58.100 0.036 0.000 1.164 295 Y CB -0.348 37.913 38.460 -0.331 0.000 0.982 295 Y HN 0.054 nan 8.280 nan 0.000 0.515 296 V N -0.987 119.086 119.914 0.265 0.000 2.358 296 V HA -0.281 3.839 4.120 0.001 0.000 0.246 296 V C 2.252 178.375 176.094 0.048 0.000 1.047 296 V CA 2.285 64.611 62.300 0.043 0.000 1.035 296 V CB -1.046 30.728 31.823 -0.082 0.000 0.658 296 V HN 0.410 nan 8.190 nan 0.000 0.452 297 T N -1.014 113.651 114.554 0.186 0.000 2.684 297 T HA -0.286 4.065 4.350 0.001 0.000 0.267 297 T C 1.434 176.296 174.700 0.271 0.000 1.036 297 T CA 2.129 64.359 62.100 0.217 0.000 1.148 297 T CB -0.411 68.645 68.868 0.313 0.000 0.863 297 T HN 0.713 nan 8.240 nan 0.000 0.436 298 W N 2.027 123.428 121.300 0.169 0.000 2.335 298 W HA -0.182 4.479 4.660 0.001 0.000 0.311 298 W C 2.280 178.755 176.519 -0.074 0.000 1.213 298 W CA 1.288 58.654 57.345 0.036 0.000 1.274 298 W CB -0.784 28.638 29.460 -0.063 0.000 1.148 298 W HN 0.423 nan 8.180 nan 0.000 0.498 299 H N -0.315 118.530 119.070 -0.376 0.000 2.353 299 H HA -0.143 4.414 4.556 0.001 0.000 0.300 299 H C 2.305 177.452 175.328 -0.302 0.000 1.090 299 H CA 2.090 57.692 56.048 -0.744 0.000 1.327 299 H CB -0.600 28.677 29.762 -0.809 0.000 1.383 299 H HN 0.234 nan 8.280 nan 0.000 0.508 300 L N -0.427 120.764 121.223 -0.052 0.000 2.141 300 L HA -0.152 4.188 4.340 0.001 0.000 0.209 300 L C 2.424 179.247 176.870 -0.079 0.000 1.094 300 L CA 0.741 55.556 54.840 -0.041 0.000 0.763 300 L CB -0.033 41.933 42.059 -0.154 0.000 0.908 300 L HN 0.294 nan 8.230 nan 0.000 0.437 301 C N -1.724 117.544 119.300 -0.054 0.000 2.674 301 C HA 0.073 4.534 4.460 0.001 0.000 0.276 301 C C 1.088 176.078 174.990 -0.000 0.000 1.300 301 C CA -0.719 58.284 59.018 -0.025 0.000 1.732 301 C CB -0.360 27.436 27.740 0.093 0.000 2.076 301 C HN 0.328 nan 8.230 nan 0.000 0.548 302 D N 1.080 121.439 120.400 -0.067 0.000 2.317 302 D HA 0.076 4.716 4.640 0.001 0.000 0.252 302 D C 0.986 177.247 176.300 -0.065 0.000 1.174 302 D CA -0.059 53.876 54.000 -0.108 0.000 0.866 302 D CB 0.671 41.257 40.800 -0.357 0.000 1.127 302 D HN 0.166 nan 8.370 nan 0.000 0.467 303 R N 3.438 123.908 120.500 -0.050 0.000 2.119 303 R HA -0.221 4.119 4.340 0.001 0.000 0.246 303 R C 1.986 178.210 176.300 -0.127 0.000 1.146 303 R CA 0.934 57.008 56.100 -0.043 0.000 0.962 303 R CB -0.630 29.650 30.300 -0.034 0.000 0.863 303 R HN 0.608 nan 8.270 nan 0.000 0.442 304 R N 0.226 120.560 120.500 -0.277 0.000 2.159 304 R HA -0.235 4.106 4.340 0.001 0.000 0.252 304 R C 1.696 177.669 176.300 -0.545 0.000 1.144 304 R CA 2.218 58.021 56.100 -0.494 0.000 0.961 304 R CB -0.363 29.456 30.300 -0.802 0.000 0.877 304 R HN 0.286 nan 8.270 nan 0.000 0.444 305 Y N -0.328 119.910 120.300 -0.103 0.000 2.546 305 Y HA 0.167 4.717 4.550 0.001 0.000 0.287 305 Y C 0.729 176.685 175.900 0.094 0.000 1.158 305 Y CA 0.598 58.689 58.100 -0.016 0.000 1.307 305 Y CB 0.094 38.540 38.460 -0.023 0.000 1.036 305 Y HN 0.080 nan 8.280 nan 0.000 0.532 306 R N -0.415 120.176 120.500 0.151 0.000 3.722 306 R HA -0.251 4.090 4.340 0.001 0.000 0.284 306 R C 0.765 177.210 176.300 0.241 0.000 1.165 306 R CA 0.687 56.902 56.100 0.191 0.000 0.779 306 R CB -2.228 28.183 30.300 0.184 0.000 1.179 306 R HN 0.420 nan 8.270 nan 0.000 0.491 307 L N -0.066 121.309 121.223 0.254 0.000 2.362 307 L HA -0.156 4.185 4.340 0.001 0.000 0.219 307 L C 2.538 179.535 176.870 0.212 0.000 1.134 307 L CA 1.668 56.641 54.840 0.222 0.000 0.807 307 L CB -0.435 41.852 42.059 0.380 0.000 0.927 307 L HN 0.466 nan 8.230 nan 0.000 0.447 308 S N -0.547 115.299 115.700 0.243 0.000 2.419 308 S HA -0.219 4.251 4.470 0.001 0.000 0.233 308 S C 1.637 176.281 174.600 0.073 0.000 1.016 308 S CA 1.152 59.449 58.200 0.162 0.000 0.974 308 S CB -0.216 63.120 63.200 0.226 0.000 0.786 308 S HN 0.501 nan 8.310 nan 0.000 0.492 309 E N 0.714 120.941 120.200 0.046 0.000 2.150 309 E HA 0.016 4.366 4.350 0.001 0.000 0.193 309 E C 1.856 178.392 176.600 -0.107 0.000 0.985 309 E CA 1.306 57.703 56.400 -0.003 0.000 0.814 309 E CB -0.237 29.506 29.700 0.072 0.000 0.752 309 E HN 0.634 nan 8.360 nan 0.000 0.466 310 I N -0.084 120.365 120.570 -0.201 0.000 2.500 310 I HA -0.206 3.965 4.170 0.001 0.000 0.252 310 I C 2.157 178.283 176.117 0.015 0.000 1.142 310 I CA 0.610 61.789 61.300 -0.201 0.000 1.451 310 I CB -0.082 37.733 38.000 -0.308 0.000 1.093 310 I HN 0.160 nan 8.210 nan 0.000 0.430 311 Y N 1.940 122.200 120.300 -0.067 0.000 2.263 311 Y HA -0.211 4.339 4.550 0.001 0.000 0.292 311 Y C 2.255 178.071 175.900 -0.139 0.000 1.130 311 Y CA 1.489 59.488 58.100 -0.168 0.000 1.179 311 Y CB -0.007 37.943 38.460 -0.850 0.000 0.998 311 Y HN 0.026 nan 8.280 nan 0.000 0.532 312 E N 0.572 120.711 120.200 -0.102 0.000 2.478 312 E HA -0.099 4.252 4.350 0.001 0.000 0.198 312 E C 1.735 178.255 176.600 -0.132 0.000 1.046 312 E CA 0.624 56.947 56.400 -0.127 0.000 0.870 312 E CB -0.121 29.573 29.700 -0.010 0.000 0.818 312 E HN 0.513 nan 8.360 nan 0.000 0.527 313 K N -0.631 119.695 120.400 -0.123 0.000 2.365 313 K HA 0.035 4.355 4.320 0.001 0.000 0.195 313 K C 1.137 177.682 176.600 -0.093 0.000 1.079 313 K CA 0.901 57.134 56.287 -0.090 0.000 0.979 313 K CB 0.712 33.171 32.500 -0.069 0.000 0.929 313 K HN 0.133 nan 8.250 nan 0.000 0.523 314 V N -2.020 117.827 119.914 -0.113 0.000 3.477 314 V HA 0.221 4.342 4.120 0.001 0.000 0.297 314 V C 1.585 177.597 176.094 -0.136 0.000 1.433 314 V CA -0.133 62.119 62.300 -0.081 0.000 1.052 314 V CB 0.288 32.098 31.823 -0.021 0.000 0.895 314 V HN 0.108 nan 8.190 nan 0.000 0.438 315 K N 1.482 121.712 120.400 -0.284 0.000 2.107 315 K HA -0.266 4.054 4.320 0.001 0.000 0.211 315 K C 1.815 178.292 176.600 -0.206 0.000 1.049 315 K CA 2.743 58.777 56.287 -0.422 0.000 0.927 315 K CB -0.001 32.208 32.500 -0.486 0.000 0.714 315 K HN 0.752 nan 8.250 nan 0.000 0.452 316 E N -0.309 119.811 120.200 -0.132 0.000 2.489 316 E HA 0.038 4.388 4.350 0.001 0.000 0.204 316 E C -0.518 176.054 176.600 -0.047 0.000 1.006 316 E CA -0.235 56.119 56.400 -0.076 0.000 0.936 316 E CB 0.547 30.210 29.700 -0.061 0.000 1.002 316 E HN 0.334 nan 8.360 nan 0.000 0.488 317 E N 1.653 121.827 120.200 -0.045 0.000 2.459 317 E HA -0.036 4.315 4.350 0.001 0.000 0.264 317 E C 0.393 176.987 176.600 -0.011 0.000 1.055 317 E CA 0.454 56.840 56.400 -0.022 0.000 0.957 317 E CB 0.506 30.196 29.700 -0.016 0.000 0.952 317 E HN -0.053 nan 8.360 nan 0.000 0.448 318 K N 1.687 122.084 120.400 -0.004 0.000 2.576 318 K HA 0.139 4.459 4.320 0.001 0.000 0.209 318 K C -0.139 176.465 176.600 0.008 0.000 1.049 318 K CA 0.035 56.322 56.287 0.001 0.000 1.140 318 K CB 0.442 32.941 32.500 -0.001 0.000 0.871 318 K HN 0.370 nan 8.250 nan 0.000 0.479 319 T N 1.078 115.639 114.554 0.012 0.000 2.882 319 T HA 0.068 4.418 4.350 0.001 0.000 0.287 319 T C 1.496 176.213 174.700 0.027 0.000 1.014 319 T CA -0.401 61.711 62.100 0.019 0.000 1.049 319 T CB 2.041 70.922 68.868 0.021 0.000 1.001 319 T HN 0.219 nan 8.240 nan 0.000 0.525 320 E N 0.783 121.001 120.200 0.031 0.000 2.031 320 E HA -0.197 4.153 4.350 0.001 0.000 0.193 320 E C 1.280 177.912 176.600 0.054 0.000 0.994 320 E CA 1.382 57.804 56.400 0.037 0.000 0.800 320 E CB 0.066 29.788 29.700 0.038 0.000 0.752 320 E HN 0.567 nan 8.360 nan 0.000 0.447 321 D N 0.285 120.722 120.400 0.062 0.000 2.084 321 D HA -0.174 4.466 4.640 0.001 0.000 0.194 321 D C 1.925 178.298 176.300 0.122 0.000 0.990 321 D CA 1.341 55.394 54.000 0.087 0.000 0.826 321 D CB -0.409 40.426 40.800 0.059 0.000 0.971 321 D HN 0.270 nan 8.370 nan 0.000 0.453 322 A N 1.216 124.090 122.820 0.090 0.000 1.958 322 A HA -0.293 4.027 4.320 0.001 0.000 0.221 322 A C 2.141 179.818 177.584 0.154 0.000 1.178 322 A CA 1.874 53.980 52.037 0.115 0.000 0.642 322 A CB -0.703 18.328 19.000 0.051 0.000 0.816 322 A HN 0.320 nan 8.150 nan 0.000 0.453 323 Q N -0.843 119.013 119.800 0.093 0.000 2.096 323 Q HA -0.085 4.255 4.340 0.001 0.000 0.197 323 Q C 2.088 178.118 176.000 0.050 0.000 0.964 323 Q CA 1.287 57.127 55.803 0.062 0.000 0.838 323 Q CB -0.182 28.570 28.738 0.024 0.000 0.906 323 Q HN 0.639 nan 8.270 nan 0.000 0.444 324 K N 0.255 120.684 120.400 0.048 0.000 2.097 324 K HA -0.145 4.176 4.320 0.001 0.000 0.206 324 K C 1.896 178.530 176.600 0.056 0.000 1.049 324 K CA 1.066 57.321 56.287 -0.053 0.000 0.933 324 K CB -0.173 32.339 32.500 0.021 0.000 0.717 324 K HN 0.078 nan 8.250 nan 0.000 0.442 325 F N 1.557 121.580 119.950 0.122 0.000 2.051 325 F HA -0.281 4.246 4.527 0.001 0.000 0.296 325 F C 2.193 178.157 175.800 0.272 0.000 1.122 325 F CA 1.302 59.441 58.000 0.232 0.000 1.201 325 F CB -0.641 38.445 39.000 0.143 0.000 0.978 325 F HN -0.003 nan 8.300 nan 0.000 0.472 326 C N 1.064 120.476 119.300 0.187 0.000 2.413 326 C HA -0.185 4.275 4.460 0.001 0.000 0.277 326 C C 2.736 177.830 174.990 0.174 0.000 1.265 326 C CA 1.305 60.464 59.018 0.235 0.000 1.752 326 C CB -1.234 26.640 27.740 0.223 0.000 1.998 326 C HN 0.465 nan 8.230 nan 0.000 0.489 327 K N -0.203 120.223 120.400 0.044 0.000 2.031 327 K HA -0.062 4.259 4.320 0.001 0.000 0.205 327 K C 1.758 178.366 176.600 0.013 0.000 1.049 327 K CA 1.303 57.577 56.287 -0.022 0.000 0.939 327 K CB -0.352 32.053 32.500 -0.157 0.000 0.717 327 K HN 0.350 nan 8.250 nan 0.000 0.438 328 F N 0.346 120.312 119.950 0.027 0.000 2.095 328 F HA -0.240 4.287 4.527 0.001 0.000 0.298 328 F C 2.415 178.190 175.800 -0.042 0.000 1.104 328 F CA 1.137 59.164 58.000 0.046 0.000 1.232 328 F CB -1.032 37.949 39.000 -0.032 0.000 0.987 328 F HN 0.082 nan 8.300 nan 0.000 0.475 329 Y N 0.958 121.165 120.300 -0.154 0.000 2.165 329 Y HA -0.250 4.300 4.550 0.001 0.000 0.286 329 Y C 2.243 177.997 175.900 -0.244 0.000 1.155 329 Y CA 2.022 59.921 58.100 -0.335 0.000 1.164 329 Y CB -0.532 37.549 38.460 -0.633 0.000 0.978 329 Y HN 0.172 nan 8.280 nan 0.000 0.513 330 E N -0.444 119.764 120.200 0.014 0.000 2.106 330 E HA -0.221 4.129 4.350 0.001 0.000 0.192 330 E C 2.169 178.741 176.600 -0.047 0.000 0.984 330 E CA 1.307 57.694 56.400 -0.022 0.000 0.806 330 E CB -0.100 29.641 29.700 0.068 0.000 0.750 330 E HN 0.643 nan 8.360 nan 0.000 0.458 331 Q N 0.315 120.126 119.800 0.018 0.000 2.050 331 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 331 Q C 2.324 178.322 176.000 -0.003 0.000 0.980 331 Q CA 1.321 57.140 55.803 0.028 0.000 0.840 331 Q CB -0.235 28.571 28.738 0.114 0.000 0.898 331 Q HN 0.247 nan 8.270 nan 0.000 0.424 332 A N 1.563 124.399 122.820 0.027 0.000 1.859 332 A HA -0.245 4.076 4.320 0.001 0.000 0.217 332 A C 2.387 179.883 177.584 -0.148 0.000 1.198 332 A CA 2.057 54.079 52.037 -0.025 0.000 0.629 332 A CB -1.214 17.693 19.000 -0.154 0.000 0.830 332 A HN 0.428 nan 8.150 nan 0.000 0.446 333 A N -0.200 122.443 122.820 -0.294 0.000 1.892 333 A HA -0.295 4.025 4.320 0.001 0.000 0.218 333 A C 1.932 179.444 177.584 -0.119 0.000 1.188 333 A CA 2.406 54.300 52.037 -0.239 0.000 0.631 333 A CB -1.033 17.792 19.000 -0.291 0.000 0.822 333 A HN 0.644 nan 8.150 nan 0.000 0.447 334 N N -0.529 118.112 118.700 -0.098 0.000 2.096 334 N HA -0.203 4.538 4.740 0.001 0.000 0.195 334 N C 1.407 176.870 175.510 -0.078 0.000 1.017 334 N CA 2.690 55.700 53.050 -0.066 0.000 0.870 334 N CB -0.164 38.290 38.487 -0.054 0.000 1.024 334 N HN 0.523 nan 8.380 nan 0.000 0.434 335 V N -5.380 114.470 119.914 -0.106 0.000 3.570 335 V HA 0.511 4.631 4.120 0.001 0.000 0.257 335 V C 1.721 177.693 176.094 -0.202 0.000 1.272 335 V CA 0.896 63.102 62.300 -0.157 0.000 1.079 335 V CB 0.333 32.040 31.823 -0.193 0.000 0.829 335 V HN 0.162 nan 8.190 nan 0.000 0.454 336 G N 0.381 109.103 108.800 -0.130 0.000 2.719 336 G HA2 0.394 4.355 3.960 0.001 0.000 0.211 336 G HA3 0.394 4.355 3.960 0.001 0.000 0.211 336 G C 0.846 175.826 174.900 0.133 0.000 1.140 336 G CA 0.518 45.606 45.100 -0.019 0.000 0.790 336 G HN 0.815 nan 8.290 nan 0.000 0.529 337 A N 0.852 123.694 122.820 0.037 0.000 2.444 337 A HA 0.567 4.888 4.320 0.001 0.000 0.287 337 A C -0.635 177.008 177.584 0.097 0.000 1.195 337 A CA 0.049 52.123 52.037 0.062 0.000 0.858 337 A CB 0.162 19.165 19.000 0.005 0.000 1.117 337 A HN 0.254 nan 8.150 nan 0.000 0.521 338 V N 2.641 122.659 119.914 0.173 0.000 2.638 338 V HA 0.378 4.499 4.120 0.001 0.000 0.306 338 V C 0.539 176.800 176.094 0.279 0.000 1.052 338 V CA -0.657 61.773 62.300 0.215 0.000 0.885 338 V CB 1.916 33.885 31.823 0.243 0.000 0.999 338 V HN 0.908 nan 8.190 nan 0.000 0.424 339 S N 5.108 120.936 115.700 0.213 0.000 2.533 339 S HA 0.229 4.699 4.470 0.001 0.000 0.282 339 S C -1.379 173.317 174.600 0.160 0.000 1.304 339 S CA -0.754 57.536 58.200 0.151 0.000 1.063 339 S CB 1.165 64.415 63.200 0.085 0.000 0.881 339 S HN 0.604 nan 8.310 nan 0.000 0.493 340 P HA -0.109 nan 4.420 nan 0.000 0.218 340 P C 1.454 178.488 177.300 -0.443 0.000 1.148 340 P CA 1.235 64.078 63.100 -0.428 0.000 0.822 340 P CB -0.068 31.419 31.700 -0.356 0.000 0.784 341 S N -0.902 114.705 115.700 -0.155 0.000 2.507 341 S HA -0.118 4.353 4.470 0.001 0.000 0.235 341 S C 1.547 176.173 174.600 0.042 0.000 0.988 341 S CA 0.871 59.026 58.200 -0.075 0.000 0.944 341 S CB -0.943 62.213 63.200 -0.073 0.000 0.762 341 S HN 0.294 nan 8.310 nan 0.000 0.526 342 E N -0.081 120.198 120.200 0.132 0.000 2.474 342 E HA 0.065 4.415 4.350 0.001 0.000 0.194 342 E C 1.216 178.139 176.600 0.537 0.000 1.041 342 E CA 0.539 57.120 56.400 0.302 0.000 0.874 342 E CB 0.051 29.936 29.700 0.308 0.000 0.914 342 E HN 0.977 nan 8.360 nan 0.000 0.498 343 W N -1.748 119.709 121.300 0.262 0.000 3.641 343 W HA 0.361 5.022 4.660 0.001 0.000 0.167 343 W C 0.227 176.620 176.519 -0.211 0.000 0.978 343 W CA -0.025 57.386 57.345 0.111 0.000 1.440 343 W CB -0.127 29.408 29.460 0.125 0.000 0.602 343 W HN -0.114 nan 8.180 nan 0.000 0.907 344 A N 2.735 124.874 122.820 -1.134 0.000 2.990 344 A HA 0.485 4.805 4.320 0.001 0.000 0.282 344 A C -1.013 176.026 177.584 -0.908 0.000 1.688 344 A CA 0.356 51.363 52.037 -1.716 0.000 1.391 344 A CB -1.857 15.945 19.000 -1.997 0.000 1.112 344 A HN 0.455 nan 8.150 nan 0.000 0.588 345 Y N -0.511 119.586 120.300 -0.337 0.000 2.604 345 Y HA 0.748 5.299 4.550 0.001 0.000 0.331 345 Y C -3.242 172.839 175.900 0.302 0.000 1.158 345 Y CA -2.898 55.213 58.100 0.019 0.000 1.056 345 Y CB 0.661 39.103 38.460 -0.030 0.000 1.330 345 Y HN 0.233 nan 8.280 nan 0.000 0.457 346 P HA 0.349 nan 4.420 nan 0.000 0.282 346 P C -2.775 174.658 177.300 0.223 0.000 1.287 346 P CA -1.692 61.571 63.100 0.271 0.000 0.792 346 P CB 0.873 32.680 31.700 0.178 0.000 1.163 347 P HA 0.006 nan 4.420 nan 0.000 0.272 347 P C 1.293 178.636 177.300 0.073 0.000 1.223 347 P CA -0.086 63.086 63.100 0.120 0.000 0.784 347 P CB 0.619 32.348 31.700 0.047 0.000 0.923 348 V N 2.585 122.536 119.914 0.063 0.000 2.324 348 V HA -0.322 3.799 4.120 0.001 0.000 0.250 348 V C 2.670 178.749 176.094 -0.024 0.000 1.060 348 V CA 2.954 65.244 62.300 -0.016 0.000 1.042 348 V CB -1.818 29.995 31.823 -0.018 0.000 0.650 348 V HN 0.696 nan 8.190 nan 0.000 0.450 349 A N -0.692 122.123 122.820 -0.008 0.000 1.940 349 A HA -0.326 3.995 4.320 0.001 0.000 0.219 349 A C 2.282 179.858 177.584 -0.014 0.000 1.176 349 A CA 2.168 54.198 52.037 -0.012 0.000 0.631 349 A CB -0.554 18.441 19.000 -0.009 0.000 0.814 349 A HN 0.656 nan 8.150 nan 0.000 0.446 350 Q N -0.543 119.252 119.800 -0.008 0.000 2.167 350 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 350 Q C 1.795 177.780 176.000 -0.026 0.000 0.970 350 Q CA 1.110 56.908 55.803 -0.007 0.000 0.855 350 Q CB -0.171 28.573 28.738 0.010 0.000 0.911 350 Q HN 0.679 nan 8.270 nan 0.000 0.438 351 L N -0.104 121.085 121.223 -0.057 0.000 2.240 351 L HA 0.021 4.361 4.340 0.001 0.000 0.211 351 L C 2.452 179.277 176.870 -0.074 0.000 1.106 351 L CA 0.628 55.405 54.840 -0.104 0.000 0.793 351 L CB -0.365 41.554 42.059 -0.232 0.000 0.927 351 L HN 0.266 nan 8.230 nan 0.000 0.446 352 A N 0.167 122.955 122.820 -0.053 0.000 1.930 352 A HA -0.237 4.083 4.320 0.001 0.000 0.217 352 A C 2.045 179.616 177.584 -0.023 0.000 1.175 352 A CA 1.945 53.961 52.037 -0.035 0.000 0.627 352 A CB -0.723 18.263 19.000 -0.023 0.000 0.815 352 A HN 0.531 nan 8.150 nan 0.000 0.443 353 N N -0.575 118.114 118.700 -0.018 0.000 2.250 353 N HA -0.038 4.703 4.740 0.001 0.000 0.181 353 N C 0.620 176.125 175.510 -0.009 0.000 1.017 353 N CA 0.482 53.525 53.050 -0.011 0.000 0.866 353 N CB -0.075 38.407 38.487 -0.008 0.000 0.985 353 N HN 0.234 nan 8.380 nan 0.000 0.429 354 V N 0.000 119.907 119.914 -0.011 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 354 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556