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 2aek_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 CDRKYRLSEI 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 0.000 176.496 176.300 0.327 0.000 1.140 1 M CA 0.000 55.470 55.300 0.284 0.000 0.988 1 M CB 0.000 32.699 32.600 0.164 0.000 1.302 2 E N 1.856 122.203 120.200 0.245 0.000 2.478 2 E HA 0.152 4.503 4.350 0.001 0.000 0.198 2 E C -0.548 176.267 176.600 0.358 0.000 1.046 2 E CA 1.189 57.726 56.400 0.228 0.000 0.870 2 E CB 0.400 30.177 29.700 0.129 0.000 0.818 2 E HN 0.716 nan 8.360 nan 0.000 0.527 3 N N 0.087 118.992 118.700 0.341 0.000 2.292 3 N HA 0.139 4.880 4.740 0.001 0.000 0.303 3 N C -1.239 174.291 175.510 0.034 0.000 1.140 3 N CA -0.720 52.488 53.050 0.264 0.000 0.788 3 N CB 0.738 39.321 38.487 0.159 0.000 1.361 3 N HN 0.022 nan 8.380 nan 0.000 0.489 4 F N 2.688 122.452 119.950 -0.310 0.000 2.543 4 F HA 0.224 4.752 4.527 0.001 0.000 0.375 4 F C -1.484 174.186 175.800 -0.218 0.000 1.075 4 F CA -1.629 55.998 58.000 -0.621 0.000 1.225 4 F CB 0.626 39.384 39.000 -0.403 0.000 1.099 4 F HN 0.355 nan 8.300 nan 0.000 0.561 5 P HA -0.031 nan 4.420 nan 0.000 0.290 5 P C 1.023 178.066 177.300 -0.427 0.000 1.584 5 P CA 0.621 63.461 63.100 -0.434 0.000 0.813 5 P CB -0.552 30.961 31.700 -0.311 0.000 1.775 6 T N -0.941 113.423 114.554 -0.316 0.000 2.602 6 T HA -0.316 4.034 4.350 0.001 0.000 0.264 6 T C 1.556 176.253 174.700 -0.004 0.000 1.085 6 T CA 1.910 63.982 62.100 -0.047 0.000 1.164 6 T CB -0.543 68.365 68.868 0.067 0.000 0.860 6 T HN 0.417 nan 8.240 nan 0.000 0.442 7 E N -0.176 120.025 120.200 0.002 0.000 2.012 7 E HA -0.171 4.179 4.350 0.001 0.000 0.197 7 E C 2.000 178.646 176.600 0.077 0.000 1.007 7 E CA 1.226 57.641 56.400 0.025 0.000 0.816 7 E CB -0.374 29.337 29.700 0.018 0.000 0.762 7 E HN 0.730 nan 8.360 nan 0.000 0.451 8 Y N -0.254 119.996 120.300 -0.083 0.000 2.102 8 Y HA -0.351 4.199 4.550 0.001 0.000 0.280 8 Y C 2.232 178.074 175.900 -0.097 0.000 1.178 8 Y CA 1.398 59.444 58.100 -0.090 0.000 1.146 8 Y CB -0.250 38.150 38.460 -0.100 0.000 0.968 8 Y HN 0.229 nan 8.280 nan 0.000 0.504 9 F N 0.780 120.613 119.950 -0.194 0.000 2.069 9 F HA -0.305 4.222 4.527 0.001 0.000 0.298 9 F C 2.052 177.752 175.800 -0.167 0.000 1.113 9 F CA 1.880 59.718 58.000 -0.269 0.000 1.214 9 F CB -0.828 38.008 39.000 -0.274 0.000 0.978 9 F HN -0.016 nan 8.300 nan 0.000 0.474 10 L N 0.220 121.345 121.223 -0.164 0.000 2.013 10 L HA -0.317 4.024 4.340 0.001 0.000 0.212 10 L C 2.298 179.090 176.870 -0.130 0.000 1.073 10 L CA 1.891 56.552 54.840 -0.298 0.000 0.753 10 L CB -1.075 40.864 42.059 -0.200 0.000 0.890 10 L HN 0.303 nan 8.230 nan 0.000 0.432 11 N N -0.119 118.562 118.700 -0.033 0.000 2.000 11 N HA -0.245 4.495 4.740 0.001 0.000 0.198 11 N C 1.875 177.398 175.510 0.022 0.000 1.057 11 N CA 2.800 55.875 53.050 0.042 0.000 0.858 11 N CB -0.430 38.113 38.487 0.094 0.000 1.057 11 N HN 0.404 nan 8.380 nan 0.000 0.423 12 T N -3.244 111.297 114.554 -0.023 0.000 2.737 12 T HA -0.174 4.176 4.350 0.001 0.000 0.269 12 T C 1.913 176.533 174.700 -0.134 0.000 1.040 12 T CA 2.152 64.209 62.100 -0.071 0.000 1.142 12 T CB -1.378 67.389 68.868 -0.168 0.000 0.861 12 T HN 0.244 nan 8.240 nan 0.000 0.456 13 T N 1.638 116.030 114.554 -0.269 0.000 2.746 13 T HA -0.048 4.303 4.350 0.001 0.000 0.267 13 T C 2.126 176.807 174.700 -0.032 0.000 1.039 13 T CA 1.338 63.302 62.100 -0.228 0.000 1.142 13 T CB -0.620 68.073 68.868 -0.292 0.000 0.866 13 T HN 0.313 nan 8.240 nan 0.000 0.444 14 V N 1.599 121.580 119.914 0.111 0.000 2.307 14 V HA -0.157 3.964 4.120 0.001 0.000 0.245 14 V C 2.613 178.844 176.094 0.229 0.000 1.045 14 V CA 1.552 64.014 62.300 0.271 0.000 1.024 14 V CB -0.574 31.451 31.823 0.336 0.000 0.651 14 V HN 0.403 nan 8.190 nan 0.000 0.449 15 R N -0.240 120.379 120.500 0.198 0.000 2.091 15 R HA -0.186 4.154 4.340 0.001 0.000 0.238 15 R C 2.266 178.801 176.300 0.392 0.000 1.136 15 R CA 1.715 57.999 56.100 0.307 0.000 0.959 15 R CB -0.739 29.732 30.300 0.285 0.000 0.856 15 R HN 0.397 nan 8.270 nan 0.000 0.437 16 L N 1.349 122.670 121.223 0.163 0.000 1.989 16 L HA -0.146 4.194 4.340 0.001 0.000 0.211 16 L C 2.017 178.971 176.870 0.139 0.000 1.071 16 L CA 1.700 56.611 54.840 0.118 0.000 0.749 16 L CB -0.545 41.497 42.059 -0.028 0.000 0.890 16 L HN 0.133 nan 8.230 nan 0.000 0.431 17 L N -0.680 120.501 121.223 -0.071 0.000 2.131 17 L HA -0.208 4.133 4.340 0.001 0.000 0.210 17 L C 2.521 179.397 176.870 0.009 0.000 1.092 17 L CA 1.392 56.057 54.840 -0.291 0.000 0.759 17 L CB -0.536 40.826 42.059 -1.162 0.000 0.903 17 L HN 0.419 nan 8.230 nan 0.000 0.435 18 E N -0.832 119.482 120.200 0.190 0.000 2.016 18 E HA -0.209 4.142 4.350 0.001 0.000 0.190 18 E C 2.141 178.880 176.600 0.233 0.000 0.985 18 E CA 1.220 57.782 56.400 0.270 0.000 0.802 18 E CB -0.228 29.610 29.700 0.230 0.000 0.762 18 E HN 0.355 nan 8.360 nan 0.000 0.448 19 Y N 1.206 121.597 120.300 0.151 0.000 2.102 19 Y HA -0.245 4.305 4.550 0.001 0.000 0.280 19 Y C 2.340 178.342 175.900 0.171 0.000 1.178 19 Y CA 1.747 59.940 58.100 0.155 0.000 1.146 19 Y CB -0.444 38.114 38.460 0.165 0.000 0.968 19 Y HN 0.186 nan 8.280 nan 0.000 0.504 20 I N -2.351 118.441 120.570 0.370 0.000 3.251 20 I HA 0.076 4.246 4.170 0.001 0.000 0.277 20 I C 0.367 176.713 176.117 0.382 0.000 1.268 20 I CA 0.525 62.013 61.300 0.313 0.000 1.449 20 I CB -0.203 38.000 38.000 0.339 0.000 1.083 20 I HN 0.077 nan 8.210 nan 0.000 0.464 21 R N -0.304 120.393 120.500 0.327 0.000 3.390 21 R HA -0.212 4.128 4.340 0.001 0.000 0.280 21 R C -0.629 175.786 176.300 0.193 0.000 1.126 21 R CA 0.112 56.385 56.100 0.287 0.000 0.757 21 R CB -2.824 27.638 30.300 0.270 0.000 1.296 21 R HN 0.479 nan 8.270 nan 0.000 0.431 22 Y N 3.032 123.270 120.300 -0.104 0.000 2.745 22 Y HA -0.019 4.531 4.550 0.001 0.000 0.335 22 Y C 1.014 176.793 175.900 -0.202 0.000 1.212 22 Y CA 0.643 58.448 58.100 -0.492 0.000 1.535 22 Y CB 0.178 38.389 38.460 -0.414 0.000 1.220 22 Y HN 0.297 nan 8.280 nan 0.000 0.531 23 R N 2.357 122.407 120.500 -0.749 0.000 2.909 23 R HA 0.539 4.879 4.340 0.001 0.000 0.262 23 R C -1.398 174.649 176.300 -0.421 0.000 1.095 23 R CA -1.170 54.682 56.100 -0.412 0.000 0.965 23 R CB 0.681 30.899 30.300 -0.137 0.000 1.300 23 R HN 0.358 nan 8.270 nan 0.000 0.442 24 D N 1.047 121.316 120.400 -0.217 0.000 2.362 24 D HA 0.292 4.932 4.640 0.001 0.000 0.242 24 D C -0.410 175.850 176.300 -0.067 0.000 1.132 24 D CA 0.189 54.102 54.000 -0.147 0.000 0.907 24 D CB 1.089 41.835 40.800 -0.090 0.000 1.195 24 D HN 0.592 nan 8.370 nan 0.000 0.429 25 S N -0.078 115.605 115.700 -0.028 0.000 2.638 25 S HA 0.378 4.848 4.470 0.001 0.000 0.302 25 S C 0.088 174.717 174.600 0.048 0.000 1.096 25 S CA -1.112 57.109 58.200 0.036 0.000 0.953 25 S CB 1.130 64.384 63.200 0.089 0.000 1.107 25 S HN 0.498 nan 8.310 nan 0.000 0.503 26 N N -0.684 118.054 118.700 0.063 0.000 2.375 26 N HA 0.043 4.784 4.740 0.001 0.000 0.220 26 N C -0.862 174.728 175.510 0.133 0.000 1.170 26 N CA -0.299 52.789 53.050 0.064 0.000 0.833 26 N CB -0.236 38.277 38.487 0.042 0.000 1.069 26 N HN 0.588 nan 8.380 nan 0.000 0.479 27 Y N 2.369 122.648 120.300 -0.035 0.000 2.880 27 Y HA 0.266 4.817 4.550 0.001 0.000 0.329 27 Y C 0.354 176.216 175.900 -0.064 0.000 1.156 27 Y CA -1.897 56.176 58.100 -0.045 0.000 1.348 27 Y CB -0.665 37.761 38.460 -0.055 0.000 1.280 27 Y HN 0.178 nan 8.280 nan 0.000 0.516 28 T N 0.516 115.054 114.554 -0.027 0.000 2.795 28 T HA 0.108 4.458 4.350 0.001 0.000 0.314 28 T C 1.483 176.049 174.700 -0.224 0.000 1.069 28 T CA -0.315 61.723 62.100 -0.103 0.000 1.071 28 T CB 0.918 69.759 68.868 -0.044 0.000 0.988 28 T HN 0.732 nan 8.240 nan 0.000 0.543 29 R N 0.235 120.638 120.500 -0.162 0.000 2.092 29 R HA -0.078 4.262 4.340 0.001 0.000 0.231 29 R C 2.268 178.495 176.300 -0.122 0.000 1.119 29 R CA 1.572 57.575 56.100 -0.163 0.000 0.970 29 R CB -0.216 30.032 30.300 -0.086 0.000 0.864 29 R HN 0.744 nan 8.270 nan 0.000 0.440 30 E N 0.185 120.340 120.200 -0.075 0.000 2.204 30 E HA -0.154 4.197 4.350 0.001 0.000 0.194 30 E C 1.582 178.159 176.600 -0.038 0.000 0.989 30 E CA 1.102 57.483 56.400 -0.032 0.000 0.824 30 E CB 0.046 29.741 29.700 -0.008 0.000 0.756 30 E HN 0.417 nan 8.360 nan 0.000 0.477 31 E N 0.203 120.351 120.200 -0.086 0.000 2.051 31 E HA -0.026 4.324 4.350 0.001 0.000 0.189 31 E C 2.115 178.620 176.600 -0.158 0.000 0.979 31 E CA 0.412 56.775 56.400 -0.062 0.000 0.803 31 E CB -0.029 29.671 29.700 0.001 0.000 0.761 31 E HN 0.116 nan 8.360 nan 0.000 0.451 32 R N 0.656 120.909 120.500 -0.411 0.000 2.083 32 R HA -0.132 4.208 4.340 0.001 0.000 0.237 32 R C 2.416 178.642 176.300 -0.124 0.000 1.137 32 R CA 1.302 57.158 56.100 -0.407 0.000 0.951 32 R CB -0.346 29.650 30.300 -0.506 0.000 0.851 32 R HN 0.206 nan 8.270 nan 0.000 0.434 33 I N 0.509 121.035 120.570 -0.074 0.000 2.315 33 I HA -0.237 3.933 4.170 0.001 0.000 0.248 33 I C 2.301 178.478 176.117 0.101 0.000 1.117 33 I CA 1.190 62.501 61.300 0.018 0.000 1.404 33 I CB -0.350 37.696 38.000 0.076 0.000 1.071 33 I HN 0.282 nan 8.210 nan 0.000 0.419 34 E N 1.037 121.288 120.200 0.085 0.000 2.049 34 E HA -0.251 4.099 4.350 0.001 0.000 0.198 34 E C 1.940 178.653 176.600 0.189 0.000 1.007 34 E CA 1.576 58.058 56.400 0.137 0.000 0.809 34 E CB -0.008 29.746 29.700 0.090 0.000 0.749 34 E HN 0.486 nan 8.360 nan 0.000 0.450 35 N N 0.528 119.314 118.700 0.143 0.000 2.080 35 N HA -0.129 4.612 4.740 0.001 0.000 0.189 35 N C 2.123 177.735 175.510 0.170 0.000 1.036 35 N CA 0.719 53.875 53.050 0.177 0.000 0.846 35 N CB -0.516 38.085 38.487 0.189 0.000 1.015 35 N HN 0.132 nan 8.380 nan 0.000 0.423 36 L N 0.436 121.679 121.223 0.032 0.000 2.010 36 L HA -0.288 4.053 4.340 0.001 0.000 0.219 36 L C 2.479 179.491 176.870 0.236 0.000 1.077 36 L CA 1.818 56.563 54.840 -0.158 0.000 0.773 36 L CB -0.672 40.943 42.059 -0.740 0.000 0.892 36 L HN 0.304 nan 8.230 nan 0.000 0.436 37 H N -1.505 117.723 119.070 0.263 0.000 2.387 37 H HA -0.245 4.312 4.556 0.000 0.000 0.299 37 H C 2.055 177.544 175.328 0.269 0.000 1.090 37 H CA 1.868 58.096 56.048 0.301 0.000 1.332 37 H CB -0.201 29.689 29.762 0.214 0.000 1.386 37 H HN 0.330 nan 8.280 nan 0.000 0.516 38 Y N 0.457 120.805 120.300 0.080 0.000 2.114 38 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 38 Y C 2.632 178.527 175.900 -0.008 0.000 1.143 38 Y CA 2.003 60.105 58.100 0.004 0.000 1.135 38 Y CB -0.956 37.542 38.460 0.063 0.000 0.980 38 Y HN 0.322 nan 8.280 nan 0.000 0.499 39 A N -0.310 122.608 122.820 0.163 0.000 1.841 39 A HA -0.299 4.022 4.320 0.001 0.000 0.216 39 A C 2.193 179.786 177.584 0.016 0.000 1.199 39 A CA 1.893 53.971 52.037 0.069 0.000 0.621 39 A CB -1.868 17.201 19.000 0.115 0.000 0.835 39 A HN 0.718 nan 8.150 nan 0.000 0.445 40 Y N 1.225 121.553 120.300 0.048 0.000 2.102 40 Y HA -0.350 4.200 4.550 0.001 0.000 0.280 40 Y C 2.295 178.149 175.900 -0.078 0.000 1.178 40 Y CA 2.538 60.682 58.100 0.074 0.000 1.146 40 Y CB -0.516 38.099 38.460 0.258 0.000 0.968 40 Y HN 0.482 nan 8.280 nan 0.000 0.504 41 N N 0.228 118.848 118.700 -0.133 0.000 2.104 41 N HA -0.231 4.509 4.740 0.001 0.000 0.190 41 N C 1.956 177.385 175.510 -0.136 0.000 1.024 41 N CA 1.860 54.789 53.050 -0.202 0.000 0.853 41 N CB -0.355 37.914 38.487 -0.363 0.000 1.008 41 N HN 0.436 nan 8.380 nan 0.000 0.424 42 K N -0.322 119.916 120.400 -0.270 0.000 2.025 42 K HA -0.039 4.281 4.320 0.001 0.000 0.207 42 K C 1.921 178.416 176.600 -0.176 0.000 1.049 42 K CA 1.150 57.297 56.287 -0.234 0.000 0.933 42 K CB -0.279 32.030 32.500 -0.318 0.000 0.714 42 K HN 0.241 nan 8.250 nan 0.000 0.438 43 A N 1.304 123.985 122.820 -0.231 0.000 1.865 43 A HA -0.167 4.153 4.320 0.001 0.000 0.217 43 A C 2.366 179.822 177.584 -0.213 0.000 1.191 43 A CA 2.145 54.028 52.037 -0.255 0.000 0.623 43 A CB -1.065 17.851 19.000 -0.139 0.000 0.826 43 A HN 0.491 nan 8.150 nan 0.000 0.444 44 A N -0.712 121.888 122.820 -0.366 0.000 1.903 44 A HA -0.276 4.045 4.320 0.001 0.000 0.219 44 A C 1.961 179.388 177.584 -0.262 0.000 1.191 44 A CA 2.287 54.080 52.037 -0.406 0.000 0.638 44 A CB -1.099 17.438 19.000 -0.772 0.000 0.823 44 A HN 0.711 nan 8.150 nan 0.000 0.451 45 H N -2.110 116.844 119.070 -0.193 0.000 2.421 45 H HA -0.123 4.433 4.556 0.000 0.000 0.298 45 H C 2.056 177.300 175.328 -0.140 0.000 1.087 45 H CA 1.582 57.551 56.048 -0.133 0.000 1.330 45 H CB -0.190 29.500 29.762 -0.121 0.000 1.388 45 H HN 0.735 nan 8.280 nan 0.000 0.526 46 H N -0.100 118.850 119.070 -0.199 0.000 2.299 46 H HA -0.130 4.426 4.556 0.001 0.000 0.302 46 H C 1.309 176.410 175.328 -0.379 0.000 1.078 46 H CA 1.522 57.358 56.048 -0.353 0.000 1.323 46 H CB -0.248 29.137 29.762 -0.628 0.000 1.381 46 H HN 0.308 nan 8.280 nan 0.000 0.498 47 F N 0.796 120.674 119.950 -0.120 0.000 2.451 47 F HA 0.058 4.585 4.527 0.001 0.000 0.299 47 F C 2.679 178.378 175.800 -0.169 0.000 1.101 47 F CA 0.777 58.672 58.000 -0.174 0.000 1.436 47 F CB -0.431 38.472 39.000 -0.162 0.000 1.074 47 F HN 0.235 nan 8.300 nan 0.000 0.553 48 A N -0.722 122.078 122.820 -0.034 0.000 2.208 48 A HA 0.010 4.330 4.320 0.001 0.000 0.209 48 A C 1.063 178.608 177.584 -0.065 0.000 1.161 48 A CA -0.125 51.879 52.037 -0.056 0.000 0.782 48 A CB -0.585 18.348 19.000 -0.113 0.000 0.816 48 A HN 0.319 nan 8.150 nan 0.000 0.477 49 Q N 0.600 120.335 119.800 -0.108 0.000 2.364 49 Q HA 0.108 4.448 4.340 0.001 0.000 0.267 49 Q C -1.481 174.479 176.000 -0.066 0.000 0.999 49 Q CA -1.611 54.133 55.803 -0.098 0.000 0.886 49 Q CB 0.556 29.197 28.738 -0.162 0.000 1.243 49 Q HN 0.229 nan 8.270 nan 0.000 0.415 50 P HA -0.296 nan 4.420 nan 0.000 0.216 50 P C 1.021 178.311 177.300 -0.017 0.000 1.157 50 P CA 1.558 64.645 63.100 -0.022 0.000 0.880 50 P CB 0.133 31.823 31.700 -0.016 0.000 0.791 51 R N 0.045 120.530 120.500 -0.025 0.000 2.082 51 R HA -0.180 4.160 4.340 0.001 0.000 0.234 51 R C 2.658 178.959 176.300 0.001 0.000 1.136 51 R CA 1.952 58.045 56.100 -0.011 0.000 0.935 51 R CB -0.622 29.666 30.300 -0.018 0.000 0.842 51 R HN 0.091 nan 8.270 nan 0.000 0.430 52 Q N 0.298 120.080 119.800 -0.031 0.000 2.112 52 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 52 Q C 2.086 178.126 176.000 0.067 0.000 0.987 52 Q CA 1.407 57.224 55.803 0.024 0.000 0.858 52 Q CB -0.381 28.311 28.738 -0.076 0.000 0.905 52 Q HN 0.514 nan 8.270 nan 0.000 0.420 53 Q N 0.713 120.529 119.800 0.027 0.000 2.135 53 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 53 Q C 2.062 178.082 176.000 0.034 0.000 0.981 53 Q CA 1.314 57.135 55.803 0.030 0.000 0.856 53 Q CB -0.042 28.701 28.738 0.007 0.000 0.902 53 Q HN 0.571 nan 8.270 nan 0.000 0.425 54 Q N -0.087 119.731 119.800 0.030 0.000 1.969 54 Q HA -0.008 4.332 4.340 0.001 0.000 0.198 54 Q C 2.316 178.345 176.000 0.049 0.000 0.978 54 Q CA 0.742 56.563 55.803 0.031 0.000 0.830 54 Q CB -0.072 28.681 28.738 0.024 0.000 0.896 54 Q HN 0.300 nan 8.270 nan 0.000 0.431 55 L N 0.510 121.770 121.223 0.062 0.000 2.187 55 L HA -0.117 4.223 4.340 0.001 0.000 0.213 55 L C 0.870 177.812 176.870 0.119 0.000 1.100 55 L CA 0.292 55.183 54.840 0.085 0.000 0.765 55 L CB -0.292 41.821 42.059 0.089 0.000 0.904 55 L HN 0.197 nan 8.230 nan 0.000 0.437 56 L N 1.701 123.003 121.223 0.132 0.000 2.302 56 L HA 0.159 4.499 4.340 0.001 0.000 0.285 56 L C 0.092 177.024 176.870 0.104 0.000 1.090 56 L CA 0.040 54.978 54.840 0.163 0.000 0.866 56 L CB 0.143 42.324 42.059 0.204 0.000 1.244 56 L HN -0.129 nan 8.230 nan 0.000 0.435 57 K N 4.505 124.962 120.400 0.096 0.000 2.171 57 K HA 0.384 4.705 4.320 0.001 0.000 0.274 57 K C -0.954 175.672 176.600 0.043 0.000 1.110 57 K CA -0.023 56.296 56.287 0.054 0.000 0.952 57 K CB 0.431 32.955 32.500 0.039 0.000 1.309 57 K HN 0.279 nan 8.250 nan 0.000 0.414 58 V N 0.949 120.877 119.914 0.022 0.000 2.925 58 V HA 0.115 4.235 4.120 0.001 0.000 0.311 58 V C -0.344 175.740 176.094 -0.017 0.000 1.104 58 V CA -1.391 60.908 62.300 -0.001 0.000 0.954 58 V CB 2.459 34.269 31.823 -0.021 0.000 1.022 58 V HN 0.557 nan 8.190 nan 0.000 0.427 59 D N 4.242 124.628 120.400 -0.023 0.000 2.417 59 D HA 0.224 4.864 4.640 0.001 0.000 0.250 59 D C -1.550 174.728 176.300 -0.036 0.000 1.166 59 D CA -0.992 52.992 54.000 -0.026 0.000 0.881 59 D CB 1.770 42.554 40.800 -0.026 0.000 1.164 59 D HN 0.211 nan 8.370 nan 0.000 0.467 60 P HA -0.259 nan 4.420 nan 0.000 0.217 60 P C 1.038 178.314 177.300 -0.040 0.000 1.158 60 P CA 1.655 64.733 63.100 -0.036 0.000 0.887 60 P CB 0.143 31.828 31.700 -0.025 0.000 0.792 61 K N -0.458 119.922 120.400 -0.034 0.000 2.026 61 K HA -0.118 4.203 4.320 0.001 0.000 0.208 61 K C 2.148 178.725 176.600 -0.039 0.000 1.048 61 K CA 1.506 57.773 56.287 -0.033 0.000 0.929 61 K CB -0.639 31.843 32.500 -0.030 0.000 0.713 61 K HN 0.231 nan 8.250 nan 0.000 0.439 62 R N 0.724 121.199 120.500 -0.042 0.000 2.092 62 R HA -0.088 4.252 4.340 0.001 0.000 0.231 62 R C 2.422 178.684 176.300 -0.064 0.000 1.119 62 R CA 0.759 56.832 56.100 -0.045 0.000 0.970 62 R CB -0.485 29.791 30.300 -0.041 0.000 0.864 62 R HN 0.067 nan 8.270 nan 0.000 0.440 63 L N 1.393 122.564 121.223 -0.087 0.000 2.042 63 L HA -0.219 4.122 4.340 0.001 0.000 0.210 63 L C 2.394 179.186 176.870 -0.130 0.000 1.076 63 L CA 1.863 56.611 54.840 -0.154 0.000 0.749 63 L CB -0.510 41.440 42.059 -0.182 0.000 0.893 63 L HN 0.056 nan 8.230 nan 0.000 0.432 64 Q N -0.329 119.430 119.800 -0.069 0.000 2.050 64 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 64 Q C 2.173 178.174 176.000 0.002 0.000 0.980 64 Q CA 2.177 57.970 55.803 -0.016 0.000 0.840 64 Q CB -0.475 28.259 28.738 -0.007 0.000 0.898 64 Q HN 0.598 nan 8.270 nan 0.000 0.424 65 A N -0.658 122.152 122.820 -0.016 0.000 1.933 65 A HA -0.159 4.162 4.320 0.001 0.000 0.218 65 A C 2.323 179.921 177.584 0.022 0.000 1.175 65 A CA 1.801 53.837 52.037 -0.002 0.000 0.628 65 A CB -0.775 18.214 19.000 -0.019 0.000 0.814 65 A HN 0.412 nan 8.150 nan 0.000 0.444 66 S N -0.583 115.112 115.700 -0.008 0.000 2.345 66 S HA -0.121 4.350 4.470 0.001 0.000 0.220 66 S C 1.888 176.504 174.600 0.026 0.000 1.031 66 S CA 1.342 59.543 58.200 0.002 0.000 0.996 66 S CB -0.485 62.683 63.200 -0.053 0.000 0.882 66 S HN 0.496 nan 8.310 nan 0.000 0.445 67 L N 2.034 123.242 121.223 -0.024 0.000 2.021 67 L HA -0.212 4.128 4.340 0.001 0.000 0.215 67 L C 2.226 179.215 176.870 0.199 0.000 1.074 67 L CA 1.887 56.746 54.840 0.033 0.000 0.760 67 L CB -0.926 41.135 42.059 0.004 0.000 0.889 67 L HN 0.324 nan 8.230 nan 0.000 0.433 68 Q N -1.596 118.345 119.800 0.236 0.000 2.084 68 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 68 Q C 1.983 178.214 176.000 0.386 0.000 0.978 68 Q CA 2.195 58.221 55.803 0.372 0.000 0.844 68 Q CB -0.206 28.630 28.738 0.165 0.000 0.898 68 Q HN 0.564 nan 8.270 nan 0.000 0.426 69 T N 0.817 115.532 114.554 0.268 0.000 2.867 69 T HA -0.062 4.288 4.350 0.001 0.000 0.268 69 T C 1.683 176.566 174.700 0.305 0.000 1.057 69 T CA 0.636 62.945 62.100 0.349 0.000 1.136 69 T CB 0.065 69.115 68.868 0.303 0.000 0.874 69 T HN 0.136 nan 8.240 nan 0.000 0.466 70 I N 0.913 121.577 120.570 0.156 0.000 2.277 70 I HA -0.040 4.131 4.170 0.001 0.000 0.243 70 I C 2.539 178.618 176.117 -0.063 0.000 1.094 70 I CA 0.777 62.082 61.300 0.008 0.000 1.393 70 I CB -1.332 36.686 38.000 0.029 0.000 1.078 70 I HN 0.098 nan 8.210 nan 0.000 0.417 71 V N 1.513 121.461 119.914 0.057 0.000 2.282 71 V HA -0.255 3.865 4.120 0.001 0.000 0.249 71 V C 2.707 178.707 176.094 -0.157 0.000 1.057 71 V CA 2.200 64.513 62.300 0.022 0.000 1.032 71 V CB -1.551 30.411 31.823 0.232 0.000 0.645 71 V HN 0.516 nan 8.190 nan 0.000 0.447 72 G N -1.027 107.666 108.800 -0.178 0.000 2.459 72 G HA2 -0.372 3.589 3.960 0.001 0.000 0.217 72 G HA3 -0.372 3.589 3.960 0.001 0.000 0.217 72 G C 1.646 176.192 174.900 -0.588 0.000 1.183 72 G CA 1.294 46.142 45.100 -0.421 0.000 0.776 72 G HN 0.435 nan 8.290 nan 0.000 0.552 73 M N 0.230 119.285 119.600 -0.909 0.000 2.082 73 M HA -0.134 4.347 4.480 0.001 0.000 0.258 73 M C 2.556 178.600 176.300 -0.427 0.000 1.069 73 M CA 1.688 56.096 55.300 -1.488 0.000 1.102 73 M CB -0.198 31.370 32.600 -1.721 0.000 1.336 73 M HN 0.137 nan 8.290 nan 0.000 0.404 74 V N -0.276 119.472 119.914 -0.277 0.000 2.270 74 V HA -0.232 3.889 4.120 0.001 0.000 0.245 74 V C 2.355 178.553 176.094 0.174 0.000 1.043 74 V CA 1.665 63.904 62.300 -0.101 0.000 1.014 74 V CB -0.613 31.023 31.823 -0.312 0.000 0.645 74 V HN 0.409 nan 8.190 nan 0.000 0.447 75 V N -1.152 118.819 119.914 0.094 0.000 2.407 75 V HA -0.240 3.880 4.120 0.001 0.000 0.248 75 V C 2.263 178.664 176.094 0.512 0.000 1.055 75 V CA 1.834 64.288 62.300 0.256 0.000 1.049 75 V CB -0.767 31.151 31.823 0.159 0.000 0.662 75 V HN 0.519 nan 8.190 nan 0.000 0.455 76 Y N 0.123 120.522 120.300 0.164 0.000 2.457 76 Y HA 0.005 4.556 4.550 0.001 0.000 0.292 76 Y C 2.649 178.677 175.900 0.213 0.000 1.125 76 Y CA 0.747 58.988 58.100 0.235 0.000 1.254 76 Y CB -0.416 38.142 38.460 0.163 0.000 1.012 76 Y HN 0.243 nan 8.280 nan 0.000 0.555 77 S N -2.706 113.221 115.700 0.377 0.000 2.499 77 S HA 0.000 4.470 4.470 0.001 0.000 0.225 77 S C 0.900 175.629 174.600 0.214 0.000 1.050 77 S CA -0.208 58.121 58.200 0.214 0.000 0.928 77 S CB 0.010 63.270 63.200 0.100 0.000 0.803 77 S HN 0.439 nan 8.310 nan 0.000 0.506 78 W N 2.606 123.969 121.300 0.105 0.000 3.040 78 W HA 0.427 5.087 4.660 0.001 0.000 0.444 78 W C 1.635 178.134 176.519 -0.033 0.000 0.793 78 W CA -0.390 56.976 57.345 0.035 0.000 2.104 78 W CB -0.476 29.003 29.460 0.031 0.000 1.060 78 W HN 0.351 nan 8.180 nan 0.000 0.842 79 A N 1.055 123.905 122.820 0.051 0.000 1.954 79 A HA -0.273 4.047 4.320 0.001 0.000 0.222 79 A C 2.046 179.494 177.584 -0.227 0.000 1.199 79 A CA 1.648 53.529 52.037 -0.259 0.000 0.657 79 A CB -0.179 18.557 19.000 -0.441 0.000 0.823 79 A HN 0.116 nan 8.150 nan 0.000 0.463 80 K N -0.378 119.965 120.400 -0.094 0.000 2.444 80 K HA 0.154 4.474 4.320 0.001 0.000 0.193 80 K C 0.745 177.369 176.600 0.040 0.000 1.024 80 K CA 0.611 56.874 56.287 -0.040 0.000 1.077 80 K CB -0.554 31.947 32.500 0.003 0.000 0.833 80 K HN 0.584 nan 8.250 nan 0.000 0.517 81 V N -0.691 119.278 119.914 0.092 0.000 3.295 81 V HA 0.337 4.457 4.120 0.001 0.000 0.308 81 V C 0.804 176.947 176.094 0.082 0.000 1.068 81 V CA -1.099 61.274 62.300 0.122 0.000 1.062 81 V CB 1.247 33.184 31.823 0.190 0.000 1.162 81 V HN 0.204 nan 8.190 nan 0.000 0.456 82 S N 0.564 116.311 115.700 0.078 0.000 2.608 82 S HA 0.261 4.732 4.470 0.001 0.000 0.261 82 S C 0.816 175.449 174.600 0.055 0.000 1.314 82 S CA 0.141 58.368 58.200 0.045 0.000 0.992 82 S CB 0.512 63.734 63.200 0.036 0.000 0.935 82 S HN 0.788 nan 8.310 nan 0.000 0.564 83 K N 0.477 120.864 120.400 -0.021 0.000 2.002 83 K HA -0.102 4.218 4.320 0.001 0.000 0.209 83 K C 2.287 178.999 176.600 0.187 0.000 1.048 83 K CA 1.601 57.859 56.287 -0.049 0.000 0.930 83 K CB -0.252 31.908 32.500 -0.566 0.000 0.714 83 K HN 0.613 nan 8.250 nan 0.000 0.438 84 E N 0.492 120.821 120.200 0.214 0.000 2.097 84 E HA -0.250 4.100 4.350 0.001 0.000 0.196 84 E C 2.170 178.937 176.600 0.278 0.000 1.000 84 E CA 0.959 57.556 56.400 0.328 0.000 0.804 84 E CB -0.547 29.303 29.700 0.249 0.000 0.740 84 E HN 0.340 nan 8.360 nan 0.000 0.454 85 C N 0.628 120.094 119.300 0.276 0.000 2.429 85 C HA -0.121 4.340 4.460 0.001 0.000 0.277 85 C C 2.807 177.743 174.990 -0.090 0.000 1.262 85 C CA 0.792 59.798 59.018 -0.020 0.000 1.733 85 C CB -0.949 26.846 27.740 0.091 0.000 2.010 85 C HN 0.408 nan 8.230 nan 0.000 0.483 86 M N 0.919 120.530 119.600 0.019 0.000 2.108 86 M HA -0.117 4.364 4.480 0.001 0.000 0.261 86 M C 2.512 178.794 176.300 -0.029 0.000 1.066 86 M CA 2.107 57.399 55.300 -0.012 0.000 1.107 86 M CB -0.721 31.931 32.600 0.087 0.000 1.356 86 M HN 0.532 nan 8.290 nan 0.000 0.406 87 A N 1.044 123.894 122.820 0.050 0.000 1.834 87 A HA -0.214 4.106 4.320 0.001 0.000 0.216 87 A C 1.779 179.322 177.584 -0.069 0.000 1.203 87 A CA 2.201 54.239 52.037 0.002 0.000 0.621 87 A CB -1.026 17.988 19.000 0.022 0.000 0.841 87 A HN 0.425 nan 8.150 nan 0.000 0.446 88 D N 0.119 120.481 120.400 -0.063 0.000 2.133 88 D HA -0.168 4.473 4.640 0.001 0.000 0.195 88 D C 1.916 178.151 176.300 -0.108 0.000 0.997 88 D CA 1.337 55.293 54.000 -0.073 0.000 0.840 88 D CB -0.484 40.246 40.800 -0.117 0.000 0.947 88 D HN 0.465 nan 8.370 nan 0.000 0.452 89 L N 0.577 121.691 121.223 -0.180 0.000 2.141 89 L HA -0.126 4.215 4.340 0.001 0.000 0.209 89 L C 2.526 179.343 176.870 -0.088 0.000 1.094 89 L CA 0.681 55.403 54.840 -0.198 0.000 0.763 89 L CB -0.273 41.595 42.059 -0.319 0.000 0.908 89 L HN -0.063 nan 8.230 nan 0.000 0.437 90 S N 0.082 115.723 115.700 -0.098 0.000 2.382 90 S HA -0.111 4.360 4.470 0.001 0.000 0.228 90 S C 1.948 176.514 174.600 -0.057 0.000 1.027 90 S CA 1.151 59.320 58.200 -0.052 0.000 0.991 90 S CB -0.162 63.012 63.200 -0.044 0.000 0.823 90 S HN 0.295 nan 8.310 nan 0.000 0.469 91 I N 0.385 120.854 120.570 -0.168 0.000 2.202 91 I HA -0.194 3.977 4.170 0.001 0.000 0.242 91 I C 2.431 178.375 176.117 -0.289 0.000 1.091 91 I CA 1.526 62.608 61.300 -0.364 0.000 1.368 91 I CB -0.430 37.060 38.000 -0.851 0.000 1.058 91 I HN 0.319 nan 8.210 nan 0.000 0.410 92 H N 0.459 119.339 119.070 -0.316 0.000 2.321 92 H HA -0.224 4.332 4.556 0.001 0.000 0.300 92 H C 1.927 177.076 175.328 -0.298 0.000 1.087 92 H CA 2.092 57.941 56.048 -0.331 0.000 1.319 92 H CB -0.195 29.242 29.762 -0.542 0.000 1.379 92 H HN 0.248 nan 8.280 nan 0.000 0.501 93 Y N -0.602 119.638 120.300 -0.100 0.000 2.509 93 Y HA -0.080 4.470 4.550 0.001 0.000 0.293 93 Y C 2.648 178.475 175.900 -0.122 0.000 1.133 93 Y CA 1.312 59.322 58.100 -0.150 0.000 1.283 93 Y CB -0.349 38.019 38.460 -0.153 0.000 1.001 93 Y HN 0.247 nan 8.280 nan 0.000 0.555 94 T N -1.224 113.335 114.554 0.008 0.000 2.896 94 T HA -0.135 4.215 4.350 0.001 0.000 0.263 94 T C 1.398 176.061 174.700 -0.060 0.000 1.050 94 T CA 1.043 63.109 62.100 -0.057 0.000 1.140 94 T CB -0.389 68.410 68.868 -0.115 0.000 0.877 94 T HN 0.206 nan 8.240 nan 0.000 0.457 95 Y N 2.265 122.534 120.300 -0.051 0.000 2.114 95 Y HA -0.192 4.359 4.550 0.000 0.000 0.284 95 Y C 3.097 179.124 175.900 0.213 0.000 1.143 95 Y CA 1.475 59.559 58.100 -0.028 0.000 1.135 95 Y CB -1.312 36.929 38.460 -0.365 0.000 0.980 95 Y HN 0.343 nan 8.280 nan 0.000 0.499 96 T N -1.472 113.210 114.554 0.214 0.000 2.684 96 T HA -0.255 4.096 4.350 0.001 0.000 0.267 96 T C 1.975 176.812 174.700 0.229 0.000 1.036 96 T CA 1.478 63.680 62.100 0.169 0.000 1.148 96 T CB -0.983 67.584 68.868 -0.502 0.000 0.863 96 T HN 0.211 nan 8.240 nan 0.000 0.436 97 L N 1.133 122.438 121.223 0.137 0.000 2.046 97 L HA 0.065 4.405 4.340 0.001 0.000 0.208 97 L C 2.667 179.625 176.870 0.147 0.000 1.077 97 L CA 1.268 56.200 54.840 0.153 0.000 0.747 97 L CB -0.791 41.329 42.059 0.102 0.000 0.896 97 L HN 0.196 nan 8.230 nan 0.000 0.432 98 V N -0.593 119.405 119.914 0.139 0.000 2.490 98 V HA -0.247 3.873 4.120 0.001 0.000 0.250 98 V C 2.442 178.618 176.094 0.137 0.000 1.061 98 V CA 1.498 63.867 62.300 0.116 0.000 1.064 98 V CB -0.520 31.364 31.823 0.101 0.000 0.670 98 V HN 0.483 nan 8.190 nan 0.000 0.461 99 L N 0.203 121.535 121.223 0.181 0.000 2.191 99 L HA -0.124 4.217 4.340 0.001 0.000 0.212 99 L C 1.944 178.739 176.870 -0.126 0.000 1.103 99 L CA 1.887 56.663 54.840 -0.107 0.000 0.769 99 L CB -0.842 40.889 42.059 -0.548 0.000 0.908 99 L HN 0.299 nan 8.230 nan 0.000 0.438 100 D N -0.825 119.573 120.400 -0.003 0.000 2.392 100 D HA -0.137 4.503 4.640 0.001 0.000 0.228 100 D C 0.883 177.163 176.300 -0.033 0.000 1.003 100 D CA 0.475 54.456 54.000 -0.032 0.000 0.917 100 D CB 0.216 41.056 40.800 0.066 0.000 0.890 100 D HN 0.443 nan 8.370 nan 0.000 0.532 101 D N -1.103 119.282 120.400 -0.026 0.000 2.355 101 D HA 0.009 4.649 4.640 0.001 0.000 0.206 101 D C 0.382 176.659 176.300 -0.039 0.000 1.010 101 D CA 0.202 54.189 54.000 -0.023 0.000 0.875 101 D CB 0.299 41.097 40.800 -0.004 0.000 0.966 101 D HN -0.109 nan 8.370 nan 0.000 0.512 102 S N 0.205 115.870 115.700 -0.058 0.000 2.549 102 S HA 0.093 4.563 4.470 0.001 0.000 0.279 102 S C 0.977 175.527 174.600 -0.083 0.000 1.321 102 S CA -0.164 57.998 58.200 -0.062 0.000 1.054 102 S CB 1.034 64.196 63.200 -0.063 0.000 0.899 102 S HN 0.028 nan 8.310 nan 0.000 0.497 103 K N 2.458 122.815 120.400 -0.071 0.000 2.354 103 K HA 0.106 4.426 4.320 0.001 0.000 0.194 103 K C -0.527 176.017 176.600 -0.092 0.000 1.045 103 K CA -0.073 56.167 56.287 -0.078 0.000 1.026 103 K CB 0.135 32.596 32.500 -0.064 0.000 0.866 103 K HN 0.573 nan 8.250 nan 0.000 0.530 104 D N 2.582 122.929 120.400 -0.088 0.000 2.487 104 D HA -0.088 4.553 4.640 0.001 0.000 0.243 104 D C -0.369 175.853 176.300 -0.131 0.000 1.154 104 D CA 0.522 54.463 54.000 -0.098 0.000 0.876 104 D CB 0.666 41.409 40.800 -0.095 0.000 1.161 104 D HN 0.123 nan 8.370 nan 0.000 0.478 105 D N 3.076 123.401 120.400 -0.124 0.000 2.434 105 D HA 0.011 4.652 4.640 0.001 0.000 0.252 105 D C -1.668 174.509 176.300 -0.205 0.000 1.185 105 D CA -1.562 52.352 54.000 -0.144 0.000 0.886 105 D CB 1.198 41.959 40.800 -0.065 0.000 1.148 105 D HN 0.086 nan 8.370 nan 0.000 0.483 106 P HA -0.130 nan 4.420 nan 0.000 0.217 106 P C 1.166 178.228 177.300 -0.397 0.000 1.151 106 P CA 0.635 63.435 63.100 -0.500 0.000 0.828 106 P CB -0.055 30.904 31.700 -1.235 0.000 0.788 107 Y N 2.579 122.546 120.300 -0.554 0.000 1.980 107 Y HA -0.273 4.277 4.550 0.001 0.000 0.249 107 Y C -0.691 175.223 175.900 0.024 0.000 1.215 107 Y CA 3.225 61.275 58.100 -0.084 0.000 1.075 107 Y CB -2.211 36.335 38.460 0.144 0.000 0.894 107 Y HN 0.080 nan 8.280 nan 0.000 0.503 108 P HA -0.165 nan 4.420 nan 0.000 0.218 108 P C 1.275 178.636 177.300 0.101 0.000 1.148 108 P CA 2.792 66.033 63.100 0.235 0.000 0.822 108 P CB -0.514 31.290 31.700 0.173 0.000 0.784 109 T N -5.381 109.215 114.554 0.070 0.000 3.081 109 T HA 0.139 4.489 4.350 0.001 0.000 0.255 109 T C 1.608 176.409 174.700 0.168 0.000 1.113 109 T CA 0.305 62.470 62.100 0.109 0.000 1.082 109 T CB -0.461 68.467 68.868 0.101 0.000 0.939 109 T HN -0.113 nan 8.240 nan 0.000 0.506 110 M N 0.902 120.569 119.600 0.113 0.000 2.428 110 M HA 0.325 4.805 4.480 0.001 0.000 0.239 110 M C 1.908 178.286 176.300 0.130 0.000 1.121 110 M CA -0.074 55.325 55.300 0.165 0.000 1.019 110 M CB -0.333 32.364 32.600 0.163 0.000 1.485 110 M HN 0.166 nan 8.290 nan 0.000 0.484 111 V N 1.657 121.593 119.914 0.036 0.000 2.469 111 V HA -0.232 3.889 4.120 0.001 0.000 0.251 111 V C 1.344 177.491 176.094 0.088 0.000 1.064 111 V CA 1.464 63.773 62.300 0.016 0.000 1.066 111 V CB -0.401 31.432 31.823 0.017 0.000 0.667 111 V HN 0.514 nan 8.190 nan 0.000 0.461 112 N N -1.824 116.944 118.700 0.113 0.000 2.338 112 N HA 0.091 4.832 4.740 0.001 0.000 0.251 112 N C 0.986 176.559 175.510 0.105 0.000 1.199 112 N CA -0.132 52.980 53.050 0.103 0.000 0.879 112 N CB 0.459 38.985 38.487 0.065 0.000 1.159 112 N HN 0.535 nan 8.380 nan 0.000 0.514 113 Y N 1.269 121.596 120.300 0.044 0.000 2.014 113 Y HA -0.296 4.254 4.550 0.001 0.000 0.272 113 Y C 2.041 177.932 175.900 -0.016 0.000 1.164 113 Y CA 1.826 59.922 58.100 -0.007 0.000 1.114 113 Y CB -0.597 37.865 38.460 0.004 0.000 0.961 113 Y HN 0.076 nan 8.280 nan 0.000 0.489 114 F N 1.029 120.881 119.950 -0.163 0.000 2.171 114 F HA -0.211 4.316 4.527 0.001 0.000 0.300 114 F C 2.132 177.809 175.800 -0.206 0.000 1.090 114 F CA 2.111 59.964 58.000 -0.245 0.000 1.293 114 F CB -0.372 38.610 39.000 -0.030 0.000 1.013 114 F HN 0.150 nan 8.300 nan 0.000 0.486 115 D N 0.117 120.552 120.400 0.058 0.000 2.144 115 D HA -0.166 4.474 4.640 0.001 0.000 0.200 115 D C 1.757 177.959 176.300 -0.163 0.000 0.978 115 D CA 1.370 55.364 54.000 -0.010 0.000 0.833 115 D CB -0.383 40.456 40.800 0.066 0.000 0.961 115 D HN 0.368 nan 8.370 nan 0.000 0.470 116 D N 0.510 120.800 120.400 -0.184 0.000 2.117 116 D HA -0.097 4.543 4.640 0.001 0.000 0.198 116 D C 2.242 178.355 176.300 -0.311 0.000 0.982 116 D CA 0.188 54.071 54.000 -0.195 0.000 0.828 116 D CB -0.236 40.474 40.800 -0.149 0.000 0.967 116 D HN 0.108 nan 8.370 nan 0.000 0.464 117 L N 1.097 122.016 121.223 -0.507 0.000 1.989 117 L HA -0.238 4.102 4.340 0.001 0.000 0.211 117 L C 2.326 178.890 176.870 -0.510 0.000 1.071 117 L CA 1.867 56.349 54.840 -0.598 0.000 0.749 117 L CB -0.662 40.856 42.059 -0.900 0.000 0.890 117 L HN -0.085 nan 8.230 nan 0.000 0.431 118 Q N -0.708 118.716 119.800 -0.627 0.000 2.224 118 Q HA -0.062 4.278 4.340 0.001 0.000 0.203 118 Q C 1.848 177.689 176.000 -0.265 0.000 0.970 118 Q CA 1.613 57.128 55.803 -0.480 0.000 0.865 118 Q CB -0.227 28.181 28.738 -0.550 0.000 0.922 118 Q HN 0.586 nan 8.270 nan 0.000 0.445 119 A N -0.857 121.828 122.820 -0.225 0.000 2.218 119 A HA 0.393 4.713 4.320 0.001 0.000 0.209 119 A C 1.518 179.027 177.584 -0.124 0.000 1.168 119 A CA 0.635 52.589 52.037 -0.138 0.000 0.804 119 A CB -0.513 18.425 19.000 -0.104 0.000 0.834 119 A HN 0.670 nan 8.150 nan 0.000 0.482 120 G N -0.562 108.144 108.800 -0.156 0.000 2.147 120 G HA2 -0.253 3.708 3.960 0.001 0.000 0.244 120 G HA3 -0.253 3.708 3.960 0.001 0.000 0.244 120 G C 0.177 175.020 174.900 -0.096 0.000 1.005 120 G CA 0.269 45.295 45.100 -0.124 0.000 0.713 120 G HN 0.609 nan 8.290 nan 0.000 0.515 121 R N 0.329 120.767 120.500 -0.103 0.000 2.404 121 R HA 0.402 4.742 4.340 0.001 0.000 0.291 121 R C 0.595 176.858 176.300 -0.063 0.000 1.025 121 R CA -0.618 55.441 56.100 -0.069 0.000 0.991 121 R CB 1.028 31.292 30.300 -0.059 0.000 1.053 121 R HN 0.495 nan 8.270 nan 0.000 0.479 122 E N 2.438 122.621 120.200 -0.028 0.000 2.502 122 E HA -0.128 4.222 4.350 0.001 0.000 0.261 122 E C -0.294 176.313 176.600 0.012 0.000 0.974 122 E CA -0.041 56.357 56.400 -0.002 0.000 0.936 122 E CB 0.699 30.410 29.700 0.019 0.000 0.926 122 E HN 0.209 nan 8.360 nan 0.000 0.459 123 Q N 1.976 121.800 119.800 0.039 0.000 2.474 123 Q HA 0.015 4.355 4.340 0.001 0.000 0.256 123 Q C 0.560 176.646 176.000 0.143 0.000 1.048 123 Q CA 0.654 56.511 55.803 0.089 0.000 0.922 123 Q CB 1.318 30.165 28.738 0.182 0.000 1.288 123 Q HN 0.742 nan 8.270 nan 0.000 0.484 124 A N 2.298 125.217 122.820 0.164 0.000 1.898 124 A HA -0.110 4.210 4.320 0.001 0.000 0.214 124 A C 0.826 178.530 177.584 0.201 0.000 1.183 124 A CA 0.747 52.874 52.037 0.150 0.000 0.622 124 A CB -0.294 18.783 19.000 0.127 0.000 0.824 124 A HN 0.701 nan 8.150 nan 0.000 0.444 125 H N 1.718 120.918 119.070 0.217 0.000 3.017 125 H HA 0.126 4.682 4.556 0.001 0.000 0.276 125 H C -1.507 173.971 175.328 0.249 0.000 1.062 125 H CA -1.866 54.330 56.048 0.247 0.000 1.486 125 H CB 1.083 31.056 29.762 0.353 0.000 1.507 125 H HN 0.161 nan 8.280 nan 0.000 0.508 126 P HA -0.231 nan 4.420 nan 0.000 0.217 126 P C 1.663 179.172 177.300 0.348 0.000 1.151 126 P CA 1.271 64.549 63.100 0.297 0.000 0.849 126 P CB -0.031 31.780 31.700 0.186 0.000 0.787 127 W N -0.074 121.417 121.300 0.319 0.000 2.332 127 W HA -0.139 4.521 4.660 0.001 0.000 0.321 127 W C 2.535 178.962 176.519 -0.153 0.000 1.219 127 W CA 1.609 58.937 57.345 -0.028 0.000 1.277 127 W CB -1.362 27.966 29.460 -0.220 0.000 1.161 127 W HN -0.108 nan 8.180 nan 0.000 0.476 128 W N 0.230 121.677 121.300 0.245 0.000 2.321 128 W HA -0.295 4.365 4.660 0.000 0.000 0.306 128 W C 2.649 179.130 176.519 -0.063 0.000 1.217 128 W CA 1.988 59.354 57.345 0.035 0.000 1.257 128 W CB -1.027 28.471 29.460 0.063 0.000 1.145 128 W HN 0.025 nan 8.180 nan 0.000 0.509 129 A N 0.147 123.120 122.820 0.255 0.000 1.892 129 A HA -0.238 4.083 4.320 0.001 0.000 0.218 129 A C 1.917 179.510 177.584 0.014 0.000 1.188 129 A CA 1.935 54.050 52.037 0.130 0.000 0.631 129 A CB -1.080 17.996 19.000 0.128 0.000 0.822 129 A HN 0.317 nan 8.150 nan 0.000 0.447 130 L N -0.935 120.224 121.223 -0.107 0.000 2.007 130 L HA -0.135 4.205 4.340 0.001 0.000 0.205 130 L C 2.587 179.213 176.870 -0.408 0.000 1.073 130 L CA 1.232 55.937 54.840 -0.226 0.000 0.744 130 L CB -0.836 41.037 42.059 -0.310 0.000 0.898 130 L HN 0.249 nan 8.230 nan 0.000 0.435 131 V N 0.479 119.882 119.914 -0.852 0.000 2.278 131 V HA -0.337 3.783 4.120 0.001 0.000 0.251 131 V C 2.220 178.212 176.094 -0.171 0.000 1.062 131 V CA 2.130 63.927 62.300 -0.838 0.000 1.038 131 V CB -0.767 30.267 31.823 -1.315 0.000 0.646 131 V HN 0.495 nan 8.190 nan 0.000 0.447 132 N N -0.403 118.343 118.700 0.077 0.000 2.309 132 N HA -0.156 4.584 4.740 0.001 0.000 0.182 132 N C 1.883 177.491 175.510 0.163 0.000 1.018 132 N CA 1.361 54.565 53.050 0.257 0.000 0.876 132 N CB -0.201 38.422 38.487 0.228 0.000 0.972 132 N HN 0.739 nan 8.380 nan 0.000 0.434 133 E N -0.294 119.960 120.200 0.090 0.000 2.107 133 E HA -0.178 4.172 4.350 0.001 0.000 0.191 133 E C 1.798 178.466 176.600 0.113 0.000 0.982 133 E CA 0.716 57.166 56.400 0.083 0.000 0.809 133 E CB -0.082 29.659 29.700 0.067 0.000 0.756 133 E HN 0.420 nan 8.360 nan 0.000 0.459 134 H N -0.674 118.418 119.070 0.037 0.000 2.436 134 H HA -0.084 4.473 4.556 0.001 0.000 0.294 134 H C 1.713 177.086 175.328 0.074 0.000 1.048 134 H CA 0.842 56.919 56.048 0.048 0.000 1.353 134 H CB -0.080 29.709 29.762 0.044 0.000 1.414 134 H HN 0.203 nan 8.280 nan 0.000 0.536 135 F N 1.692 121.629 119.950 -0.022 0.000 2.106 135 F HA -0.183 4.344 4.527 0.001 0.000 0.299 135 F C -0.758 174.951 175.800 -0.152 0.000 1.082 135 F CA 1.563 59.525 58.000 -0.063 0.000 1.244 135 F CB -1.462 37.541 39.000 0.005 0.000 0.997 135 F HN 0.308 nan 8.300 nan 0.000 0.486 136 P HA -0.184 nan 4.420 nan 0.000 0.217 136 P C 1.001 178.294 177.300 -0.013 0.000 1.148 136 P CA 2.077 65.194 63.100 0.027 0.000 0.828 136 P CB -0.222 31.478 31.700 -0.001 0.000 0.783 137 N N -1.260 117.341 118.700 -0.164 0.000 2.289 137 N HA -0.092 4.649 4.740 0.001 0.000 0.184 137 N C 1.320 176.811 175.510 -0.032 0.000 1.016 137 N CA 0.484 53.438 53.050 -0.160 0.000 0.872 137 N CB -0.179 38.069 38.487 -0.399 0.000 0.973 137 N HN 0.008 nan 8.380 nan 0.000 0.433 138 V N 1.010 120.894 119.914 -0.051 0.000 2.341 138 V HA -0.068 4.053 4.120 0.001 0.000 0.240 138 V C 2.082 178.336 176.094 0.267 0.000 1.035 138 V CA 0.902 63.222 62.300 0.033 0.000 1.033 138 V CB -0.440 31.354 31.823 -0.049 0.000 0.678 138 V HN 0.255 nan 8.190 nan 0.000 0.464 139 L N 1.097 122.476 121.223 0.261 0.000 2.189 139 L HA -0.228 4.113 4.340 0.001 0.000 0.214 139 L C 2.813 179.845 176.870 0.270 0.000 1.097 139 L CA 1.904 56.904 54.840 0.267 0.000 0.764 139 L CB -0.766 41.335 42.059 0.071 0.000 0.900 139 L HN 0.501 nan 8.230 nan 0.000 0.436 140 R N -0.549 120.073 120.500 0.204 0.000 2.152 140 R HA -0.173 4.167 4.340 0.001 0.000 0.232 140 R C 1.659 177.985 176.300 0.042 0.000 1.117 140 R CA 1.488 57.650 56.100 0.102 0.000 0.981 140 R CB -0.837 29.483 30.300 0.033 0.000 0.870 140 R HN 0.529 nan 8.270 nan 0.000 0.451 141 H N -0.542 118.437 119.070 -0.152 0.000 2.555 141 H HA 0.097 4.654 4.556 0.001 0.000 0.269 141 H C -0.181 174.726 175.328 -0.702 0.000 0.988 141 H CA 0.252 56.001 56.048 -0.497 0.000 1.178 141 H CB 0.066 29.325 29.762 -0.837 0.000 1.373 141 H HN 0.126 nan 8.280 nan 0.000 0.588 142 F N -0.417 119.636 119.950 0.172 0.000 2.631 142 F HA 0.489 5.016 4.527 0.001 0.000 0.328 142 F C 1.054 176.922 175.800 0.113 0.000 1.067 142 F CA -1.119 56.969 58.000 0.146 0.000 0.969 142 F CB 0.751 39.827 39.000 0.126 0.000 1.332 142 F HN -0.153 nan 8.300 nan 0.000 0.490 143 G N 0.462 109.470 108.800 0.347 0.000 2.621 143 G HA2 0.355 4.315 3.960 0.001 0.000 0.271 143 G HA3 0.355 4.315 3.960 0.001 0.000 0.271 143 G C -1.873 173.156 174.900 0.216 0.000 1.236 143 G CA -1.130 44.114 45.100 0.240 0.000 0.958 143 G HN 0.424 nan 8.290 nan 0.000 0.512 144 P HA -0.159 nan 4.420 nan 0.000 0.217 144 P C 1.624 179.024 177.300 0.167 0.000 1.150 144 P CA 0.918 64.103 63.100 0.142 0.000 0.832 144 P CB 0.070 31.845 31.700 0.125 0.000 0.787 145 F N 0.913 120.928 119.950 0.107 0.000 2.084 145 F HA -0.167 4.360 4.527 0.001 0.000 0.296 145 F C 2.337 178.166 175.800 0.048 0.000 1.111 145 F CA 1.422 59.486 58.000 0.106 0.000 1.224 145 F CB -1.107 38.001 39.000 0.180 0.000 0.991 145 F HN -0.056 nan 8.300 nan 0.000 0.471 146 C N -0.199 119.130 119.300 0.049 0.000 2.425 146 C HA -0.150 4.311 4.460 0.001 0.000 0.277 146 C C 3.054 177.921 174.990 -0.205 0.000 1.280 146 C CA 1.524 60.478 59.018 -0.105 0.000 1.744 146 C CB -1.404 26.415 27.740 0.132 0.000 1.989 146 C HN 0.572 nan 8.230 nan 0.000 0.491 147 S N 0.780 116.435 115.700 -0.076 0.000 2.370 147 S HA -0.181 4.289 4.470 0.001 0.000 0.226 147 S C 1.712 176.203 174.600 -0.182 0.000 1.033 147 S CA 1.445 59.577 58.200 -0.113 0.000 1.011 147 S CB -0.499 62.689 63.200 -0.020 0.000 0.852 147 S HN 0.568 nan 8.310 nan 0.000 0.457 148 L N 2.832 123.951 121.223 -0.172 0.000 2.042 148 L HA -0.107 4.234 4.340 0.001 0.000 0.210 148 L C 1.775 178.532 176.870 -0.187 0.000 1.076 148 L CA 1.720 56.460 54.840 -0.167 0.000 0.749 148 L CB -0.816 41.160 42.059 -0.138 0.000 0.893 148 L HN 0.236 nan 8.230 nan 0.000 0.432 149 N N -0.545 117.978 118.700 -0.296 0.000 2.120 149 N HA -0.184 4.556 4.740 0.001 0.000 0.188 149 N C 1.840 177.301 175.510 -0.082 0.000 1.024 149 N CA 1.735 54.656 53.050 -0.215 0.000 0.852 149 N CB -0.229 38.054 38.487 -0.340 0.000 1.003 149 N HN 0.296 nan 8.380 nan 0.000 0.424 150 L N 1.572 122.716 121.223 -0.132 0.000 2.017 150 L HA -0.103 4.237 4.340 0.001 0.000 0.208 150 L C 2.305 179.241 176.870 0.110 0.000 1.073 150 L CA 1.078 55.897 54.840 -0.037 0.000 0.745 150 L CB -0.496 41.483 42.059 -0.134 0.000 0.894 150 L HN 0.142 nan 8.230 nan 0.000 0.432 151 I N -1.003 119.538 120.570 -0.049 0.000 2.127 151 I HA -0.360 3.810 4.170 0.001 0.000 0.241 151 I C 2.697 178.903 176.117 0.149 0.000 1.075 151 I CA 1.381 62.660 61.300 -0.035 0.000 1.334 151 I CB -0.421 37.459 38.000 -0.200 0.000 1.040 151 I HN 0.242 nan 8.210 nan 0.000 0.405 152 R N 0.286 120.839 120.500 0.088 0.000 2.082 152 R HA -0.190 4.150 4.340 0.001 0.000 0.234 152 R C 2.561 178.970 176.300 0.182 0.000 1.136 152 R CA 1.896 58.071 56.100 0.124 0.000 0.935 152 R CB -0.807 29.540 30.300 0.078 0.000 0.842 152 R HN 0.261 nan 8.270 nan 0.000 0.430 153 S N -0.095 115.705 115.700 0.166 0.000 2.380 153 S HA -0.198 4.273 4.470 0.001 0.000 0.229 153 S C 1.849 176.633 174.600 0.307 0.000 1.043 153 S CA 2.101 60.410 58.200 0.183 0.000 1.038 153 S CB -0.325 62.982 63.200 0.179 0.000 0.872 153 S HN 0.395 nan 8.310 nan 0.000 0.456 154 T N 2.175 116.970 114.554 0.403 0.000 2.746 154 T HA -0.043 4.307 4.350 0.001 0.000 0.267 154 T C 1.658 176.752 174.700 0.657 0.000 1.039 154 T CA 1.309 63.736 62.100 0.545 0.000 1.142 154 T CB -0.427 68.860 68.868 0.698 0.000 0.866 154 T HN 0.274 nan 8.240 nan 0.000 0.444 155 L N 1.675 123.264 121.223 0.611 0.000 2.017 155 L HA -0.069 4.272 4.340 0.001 0.000 0.208 155 L C 1.784 178.924 176.870 0.449 0.000 1.073 155 L CA 1.863 57.069 54.840 0.610 0.000 0.745 155 L CB -0.837 41.443 42.059 0.369 0.000 0.894 155 L HN 0.084 nan 8.230 nan 0.000 0.432 156 D N -1.078 119.503 120.400 0.302 0.000 2.123 156 D HA -0.263 4.377 4.640 0.001 0.000 0.196 156 D C 1.996 178.405 176.300 0.181 0.000 0.992 156 D CA 1.564 55.668 54.000 0.172 0.000 0.833 156 D CB -0.408 40.438 40.800 0.078 0.000 0.954 156 D HN 0.371 nan 8.370 nan 0.000 0.455 157 F N 0.277 120.302 119.950 0.125 0.000 2.126 157 F HA -0.199 4.328 4.527 0.001 0.000 0.299 157 F C 2.045 177.848 175.800 0.005 0.000 1.096 157 F CA 1.040 59.077 58.000 0.062 0.000 1.255 157 F CB -0.460 38.604 39.000 0.107 0.000 0.997 157 F HN -0.059 nan 8.300 nan 0.000 0.479 158 F N 1.228 121.164 119.950 -0.023 0.000 2.126 158 F HA -0.204 4.323 4.527 0.001 0.000 0.299 158 F C 2.525 178.259 175.800 -0.111 0.000 1.096 158 F CA 2.210 60.070 58.000 -0.234 0.000 1.255 158 F CB -0.690 38.332 39.000 0.037 0.000 0.997 158 F HN 0.187 nan 8.300 nan 0.000 0.479 159 E N -0.362 119.895 120.200 0.094 0.000 2.072 159 E HA -0.103 4.247 4.350 0.001 0.000 0.191 159 E C 2.517 179.039 176.600 -0.131 0.000 0.985 159 E CA 1.039 57.468 56.400 0.049 0.000 0.801 159 E CB -0.708 29.027 29.700 0.059 0.000 0.750 159 E HN 0.481 nan 8.360 nan 0.000 0.452 160 G N 0.705 109.367 108.800 -0.231 0.000 2.476 160 G HA2 -0.330 3.630 3.960 0.001 0.000 0.218 160 G HA3 -0.330 3.630 3.960 0.001 0.000 0.218 160 G C 1.724 176.426 174.900 -0.329 0.000 1.164 160 G CA 1.056 45.978 45.100 -0.297 0.000 0.768 160 G HN 0.414 nan 8.290 nan 0.000 0.560 161 C N -0.955 118.015 119.300 -0.550 0.000 2.429 161 C HA -0.033 4.427 4.460 0.001 0.000 0.277 161 C C 2.363 177.210 174.990 -0.237 0.000 1.262 161 C CA 0.434 59.147 59.018 -0.508 0.000 1.733 161 C CB -1.042 26.230 27.740 -0.780 0.000 2.010 161 C HN 0.668 nan 8.230 nan 0.000 0.483 162 W N 1.727 122.745 121.300 -0.469 0.000 2.333 162 W HA -0.129 4.532 4.660 0.001 0.000 0.316 162 W C 2.131 178.620 176.519 -0.049 0.000 1.215 162 W CA 1.432 58.616 57.345 -0.267 0.000 1.278 162 W CB -1.058 28.242 29.460 -0.267 0.000 1.154 162 W HN 0.310 nan 8.180 nan 0.000 0.486 163 I N 0.535 121.186 120.570 0.135 0.000 2.226 163 I HA -0.310 3.861 4.170 0.001 0.000 0.245 163 I C 2.320 178.554 176.117 0.195 0.000 1.100 163 I CA 1.658 63.009 61.300 0.084 0.000 1.374 163 I CB -0.765 37.248 38.000 0.023 0.000 1.057 163 I HN -0.036 nan 8.210 nan 0.000 0.413 164 E N 0.533 120.789 120.200 0.094 0.000 2.209 164 E HA -0.277 4.073 4.350 0.001 0.000 0.196 164 E C 2.056 178.733 176.600 0.128 0.000 0.993 164 E CA 0.890 57.342 56.400 0.085 0.000 0.819 164 E CB -0.168 29.517 29.700 -0.025 0.000 0.745 164 E HN 0.584 nan 8.360 nan 0.000 0.477 165 Q N -0.524 119.373 119.800 0.162 0.000 2.364 165 Q HA -0.156 4.184 4.340 0.001 0.000 0.209 165 Q C 0.771 176.826 176.000 0.091 0.000 0.977 165 Q CA 0.909 56.772 55.803 0.100 0.000 0.885 165 Q CB 0.067 28.849 28.738 0.073 0.000 0.941 165 Q HN 0.362 nan 8.270 nan 0.000 0.464 166 Y N -0.134 120.209 120.300 0.073 0.000 2.466 166 Y HA 0.105 4.655 4.550 0.001 0.000 0.272 166 Y C 0.479 176.437 175.900 0.096 0.000 1.169 166 Y CA -0.285 57.855 58.100 0.066 0.000 1.285 166 Y CB 0.163 38.646 38.460 0.038 0.000 1.078 166 Y HN 0.047 nan 8.280 nan 0.000 0.523 167 N N 0.786 119.617 118.700 0.218 0.000 2.707 167 N HA -0.270 4.471 4.740 0.001 0.000 0.253 167 N C -0.849 174.800 175.510 0.231 0.000 0.998 167 N CA 0.589 53.738 53.050 0.165 0.000 0.751 167 N CB -1.226 37.316 38.487 0.092 0.000 0.920 167 N HN 0.240 nan 8.380 nan 0.000 0.539 168 F N -0.020 119.979 119.950 0.082 0.000 2.385 168 F HA 0.515 5.042 4.527 0.001 0.000 0.360 168 F C 1.424 177.234 175.800 0.016 0.000 1.122 168 F CA -0.797 57.194 58.000 -0.014 0.000 1.090 168 F CB 0.941 39.876 39.000 -0.108 0.000 1.150 168 F HN -0.007 nan 8.300 nan 0.000 0.472 169 G N 3.299 111.845 108.800 -0.424 0.000 3.181 169 G HA2 0.415 4.376 3.960 0.001 0.000 0.219 169 G HA3 0.415 4.376 3.960 0.001 0.000 0.219 169 G C 0.524 174.999 174.900 -0.707 0.000 1.182 169 G CA 0.198 45.100 45.100 -0.329 0.000 0.791 169 G HN 1.372 nan 8.290 nan 0.000 0.537 170 G N -0.727 106.797 108.800 -2.127 0.000 2.692 170 G HA2 -0.039 3.921 3.960 0.001 0.000 0.686 170 G HA3 -0.039 3.921 3.960 0.001 0.000 0.686 170 G C -0.525 173.729 174.900 -1.078 0.000 1.243 170 G CA -1.082 42.730 45.100 -2.146 0.000 0.782 170 G HN 0.208 nan 8.290 nan 0.000 0.625 171 F N 1.448 121.148 119.950 -0.417 0.000 2.443 171 F HA 0.466 4.994 4.527 0.001 0.000 0.353 171 F C -1.257 174.490 175.800 -0.087 0.000 1.101 171 F CA -1.971 55.982 58.000 -0.077 0.000 1.226 171 F CB 0.747 39.775 39.000 0.046 0.000 1.140 171 F HN 0.187 nan 8.300 nan 0.000 0.557 172 P HA 0.171 nan 4.420 nan 0.000 0.263 172 P C 0.644 177.980 177.300 0.060 0.000 1.195 172 P CA 1.232 64.390 63.100 0.097 0.000 0.762 172 P CB 0.437 32.186 31.700 0.082 0.000 0.799 173 G N 2.446 111.261 108.800 0.025 0.000 2.213 173 G HA2 -0.252 3.708 3.960 0.001 0.000 0.236 173 G HA3 -0.252 3.708 3.960 0.001 0.000 0.236 173 G C 0.688 175.389 174.900 -0.332 0.000 0.991 173 G CA 0.122 45.112 45.100 -0.182 0.000 0.629 173 G HN 0.626 nan 8.290 nan 0.000 0.517 174 S N 1.325 116.987 115.700 -0.063 0.000 4.120 174 S HA 0.385 4.855 4.470 0.001 0.000 0.196 174 S C 1.772 176.449 174.600 0.128 0.000 1.447 174 S CA 0.035 58.245 58.200 0.016 0.000 0.939 174 S CB -0.408 62.848 63.200 0.094 0.000 1.496 174 S HN 0.390 nan 8.310 nan 0.000 0.460 175 H N 1.621 120.771 119.070 0.134 0.000 2.426 175 H HA -0.068 4.489 4.556 0.001 0.000 0.298 175 H C 1.368 176.803 175.328 0.179 0.000 1.107 175 H CA 1.311 57.452 56.048 0.155 0.000 1.298 175 H CB -0.067 29.768 29.762 0.122 0.000 1.377 175 H HN 0.551 nan 8.280 nan 0.000 0.519 176 D N -0.356 120.199 120.400 0.258 0.000 2.347 176 D HA -0.109 4.532 4.640 0.001 0.000 0.215 176 D C 1.919 178.354 176.300 0.224 0.000 0.976 176 D CA 0.205 54.332 54.000 0.212 0.000 0.884 176 D CB -0.279 40.602 40.800 0.136 0.000 0.915 176 D HN 0.371 nan 8.370 nan 0.000 0.526 177 Y N 1.861 122.222 120.300 0.102 0.000 2.114 177 Y HA -0.114 4.436 4.550 0.001 0.000 0.284 177 Y C -0.898 175.109 175.900 0.179 0.000 1.143 177 Y CA 1.540 59.702 58.100 0.104 0.000 1.135 177 Y CB -1.228 37.230 38.460 -0.004 0.000 0.980 177 Y HN -0.002 nan 8.280 nan 0.000 0.499 178 P HA -0.248 nan 4.420 nan 0.000 0.214 178 P C 1.295 178.488 177.300 -0.179 0.000 1.169 178 P CA 2.735 65.731 63.100 -0.172 0.000 0.908 178 P CB -0.141 31.445 31.700 -0.191 0.000 0.791 179 Q N -2.283 117.516 119.800 -0.000 0.000 2.224 179 Q HA -0.140 4.201 4.340 0.001 0.000 0.203 179 Q C 2.016 178.020 176.000 0.006 0.000 0.970 179 Q CA 0.798 56.634 55.803 0.056 0.000 0.865 179 Q CB -0.573 28.291 28.738 0.209 0.000 0.922 179 Q HN 0.268 nan 8.270 nan 0.000 0.445 180 F N 1.123 120.999 119.950 -0.123 0.000 2.102 180 F HA -0.247 4.281 4.527 0.001 0.000 0.298 180 F C 1.825 177.502 175.800 -0.205 0.000 1.105 180 F CA 1.129 59.048 58.000 -0.134 0.000 1.239 180 F CB -0.257 38.668 39.000 -0.125 0.000 0.991 180 F HN 0.059 nan 8.300 nan 0.000 0.474 181 L N 0.848 121.755 121.223 -0.528 0.000 2.072 181 L HA -0.030 4.310 4.340 0.001 0.000 0.205 181 L C 2.555 179.197 176.870 -0.380 0.000 1.079 181 L CA 1.675 56.154 54.840 -0.602 0.000 0.752 181 L CB -1.030 40.694 42.059 -0.558 0.000 0.906 181 L HN 0.118 nan 8.230 nan 0.000 0.436 182 R N 0.207 120.552 120.500 -0.258 0.000 2.083 182 R HA -0.127 4.213 4.340 0.001 0.000 0.237 182 R C 2.390 178.602 176.300 -0.147 0.000 1.137 182 R CA 1.786 57.797 56.100 -0.148 0.000 0.951 182 R CB -0.485 29.766 30.300 -0.082 0.000 0.851 182 R HN 0.364 nan 8.270 nan 0.000 0.434 183 R N -0.727 119.662 120.500 -0.186 0.000 2.092 183 R HA -0.106 4.234 4.340 0.001 0.000 0.231 183 R C 2.265 178.447 176.300 -0.197 0.000 1.119 183 R CA 1.627 57.620 56.100 -0.180 0.000 0.970 183 R CB -0.413 29.783 30.300 -0.173 0.000 0.864 183 R HN 0.238 nan 8.270 nan 0.000 0.440 184 M N 1.963 121.376 119.600 -0.311 0.000 2.149 184 M HA -0.179 4.301 4.480 0.001 0.000 0.261 184 M C 0.685 176.909 176.300 -0.126 0.000 1.064 184 M CA 1.921 57.040 55.300 -0.301 0.000 1.102 184 M CB 0.004 32.290 32.600 -0.525 0.000 1.369 184 M HN 0.118 nan 8.290 nan 0.000 0.408 185 N N -1.752 116.899 118.700 -0.081 0.000 2.235 185 N HA 0.266 5.007 4.740 0.001 0.000 0.231 185 N C 0.993 176.672 175.510 0.281 0.000 1.177 185 N CA 0.358 53.469 53.050 0.101 0.000 0.874 185 N CB -0.651 37.777 38.487 -0.099 0.000 1.097 185 N HN 0.243 nan 8.380 nan 0.000 0.518 186 G N -0.107 108.777 108.800 0.139 0.000 2.777 186 G HA2 0.092 4.052 3.960 0.001 0.000 0.211 186 G HA3 0.092 4.052 3.960 0.001 0.000 0.211 186 G C 0.622 175.612 174.900 0.149 0.000 1.149 186 G CA -0.113 45.063 45.100 0.127 0.000 0.785 186 G HN 0.313 nan 8.290 nan 0.000 0.536 187 L N -0.615 120.712 121.223 0.174 0.000 4.179 187 L HA -0.256 4.084 4.340 0.001 0.000 0.418 187 L C 2.265 179.221 176.870 0.142 0.000 1.168 187 L CA 0.012 54.953 54.840 0.168 0.000 0.972 187 L CB -1.458 40.696 42.059 0.158 0.000 2.005 187 L HN 0.307 nan 8.230 nan 0.000 0.935 188 G N -0.813 108.039 108.800 0.088 0.000 2.476 188 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 188 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 188 G C 1.054 176.055 174.900 0.169 0.000 1.164 188 G CA 1.333 46.483 45.100 0.085 0.000 0.768 188 G HN 0.730 nan 8.290 nan 0.000 0.560 189 H N -1.374 117.691 119.070 -0.008 0.000 2.524 189 H HA -0.026 4.530 4.556 0.001 0.000 0.282 189 H C 2.539 177.852 175.328 -0.024 0.000 1.016 189 H CA 0.443 56.473 56.048 -0.030 0.000 1.270 189 H CB 0.125 29.869 29.762 -0.031 0.000 1.394 189 H HN 0.448 nan 8.280 nan 0.000 0.568 190 C N 0.274 119.676 119.300 0.170 0.000 2.500 190 C HA -0.078 4.383 4.460 0.001 0.000 0.279 190 C C 2.751 177.846 174.990 0.175 0.000 1.288 190 C CA 0.396 59.505 59.018 0.151 0.000 1.710 190 C CB -0.962 26.924 27.740 0.243 0.000 2.052 190 C HN 0.286 nan 8.230 nan 0.000 0.488 191 V N 1.529 121.566 119.914 0.205 0.000 2.233 191 V HA -0.073 4.047 4.120 0.001 0.000 0.247 191 V C 2.826 178.830 176.094 -0.149 0.000 1.050 191 V CA 2.480 64.860 62.300 0.133 0.000 1.010 191 V CB -1.657 30.110 31.823 -0.093 0.000 0.637 191 V HN 0.690 nan 8.190 nan 0.000 0.444 192 G N -0.491 108.192 108.800 -0.195 0.000 2.505 192 G HA2 -0.279 3.681 3.960 0.001 0.000 0.220 192 G HA3 -0.279 3.681 3.960 0.001 0.000 0.220 192 G C 1.632 176.475 174.900 -0.096 0.000 1.145 192 G CA 1.299 46.269 45.100 -0.218 0.000 0.761 192 G HN 0.671 nan 8.290 nan 0.000 0.571 193 A N 0.697 123.473 122.820 -0.073 0.000 2.072 193 A HA 0.210 4.531 4.320 0.001 0.000 0.216 193 A C 2.547 180.042 177.584 -0.150 0.000 1.156 193 A CA 1.699 53.722 52.037 -0.024 0.000 0.701 193 A CB -0.316 18.585 19.000 -0.164 0.000 0.816 193 A HN 0.685 nan 8.150 nan 0.000 0.458 194 S N -0.120 115.456 115.700 -0.206 0.000 2.555 194 S HA 0.089 4.559 4.470 0.001 0.000 0.230 194 S C 1.388 176.165 174.600 0.295 0.000 0.978 194 S CA 0.571 58.677 58.200 -0.157 0.000 0.934 194 S CB -0.528 62.749 63.200 0.129 0.000 0.766 194 S HN 0.450 nan 8.310 nan 0.000 0.533 195 L N -0.746 120.308 121.223 -0.281 0.000 2.552 195 L HA 0.195 4.536 4.340 0.001 0.000 0.227 195 L C 0.088 176.305 176.870 -1.088 0.000 1.146 195 L CA 0.196 54.509 54.840 -0.877 0.000 0.858 195 L CB -0.255 40.814 42.059 -1.649 0.000 0.969 195 L HN 0.475 nan 8.230 nan 0.000 0.451 196 W N -0.099 121.245 121.300 0.073 0.000 2.165 196 W HA 0.362 5.023 4.660 0.001 0.000 0.288 196 W C -2.425 174.298 176.519 0.340 0.000 0.900 196 W CA -2.205 55.107 57.345 -0.055 0.000 1.914 196 W CB -0.243 29.061 29.460 -0.259 0.000 2.091 196 W HN -0.233 nan 8.180 nan 0.000 0.399 197 P HA -0.062 nan 4.420 nan 0.000 0.266 197 P C 0.996 178.446 177.300 0.251 0.000 1.195 197 P CA 0.248 63.393 63.100 0.075 0.000 0.768 197 P CB 0.894 32.601 31.700 0.011 0.000 0.838 198 K N 2.612 123.088 120.400 0.127 0.000 2.442 198 K HA -0.162 4.158 4.320 0.001 0.000 0.198 198 K C 1.535 178.195 176.600 0.100 0.000 1.042 198 K CA 1.196 57.582 56.287 0.166 0.000 0.958 198 K CB -0.224 32.348 32.500 0.121 0.000 0.766 198 K HN 0.364 nan 8.250 nan 0.000 0.474 199 E N 1.492 121.718 120.200 0.043 0.000 2.150 199 E HA -0.154 4.196 4.350 0.001 0.000 0.193 199 E C 1.449 178.045 176.600 -0.005 0.000 0.985 199 E CA 1.154 57.553 56.400 -0.002 0.000 0.814 199 E CB 0.278 29.954 29.700 -0.039 0.000 0.752 199 E HN 0.587 nan 8.360 nan 0.000 0.466 200 Q N -1.207 118.608 119.800 0.025 0.000 2.149 200 Q HA 0.178 4.518 4.340 0.001 0.000 0.221 200 Q C -0.650 175.095 176.000 -0.425 0.000 0.807 200 Q CA -0.131 55.564 55.803 -0.181 0.000 1.000 200 Q CB 0.611 29.205 28.738 -0.239 0.000 1.157 200 Q HN 0.037 nan 8.270 nan 0.000 0.487 201 F N 1.065 121.086 119.950 0.118 0.000 2.608 201 F HA 0.364 4.891 4.527 0.001 0.000 0.309 201 F C -0.329 175.535 175.800 0.108 0.000 1.103 201 F CA -1.091 56.994 58.000 0.141 0.000 0.954 201 F CB 1.761 40.917 39.000 0.260 0.000 1.267 201 F HN -0.116 nan 8.300 nan 0.000 0.444 202 N N 2.606 121.464 118.700 0.264 0.000 2.527 202 N HA 0.070 4.810 4.740 0.001 0.000 0.236 202 N C 0.764 176.368 175.510 0.158 0.000 0.999 202 N CA 0.185 53.336 53.050 0.167 0.000 0.935 202 N CB 1.065 39.610 38.487 0.098 0.000 1.132 202 N HN 0.906 nan 8.380 nan 0.000 0.511 203 E N 3.162 123.468 120.200 0.177 0.000 2.130 203 E HA -0.218 4.132 4.350 0.001 0.000 0.196 203 E C 1.069 177.762 176.600 0.155 0.000 0.998 203 E CA 1.456 57.956 56.400 0.167 0.000 0.806 203 E CB 0.371 30.214 29.700 0.237 0.000 0.738 203 E HN 0.583 nan 8.360 nan 0.000 0.459 204 R N -0.388 120.187 120.500 0.125 0.000 2.075 204 R HA 0.026 4.367 4.340 0.001 0.000 0.226 204 R C 2.596 178.933 176.300 0.061 0.000 1.114 204 R CA 1.289 57.436 56.100 0.079 0.000 0.972 204 R CB -0.179 30.137 30.300 0.027 0.000 0.869 204 R HN 0.003 nan 8.270 nan 0.000 0.437 205 S N 1.297 117.029 115.700 0.054 0.000 2.383 205 S HA 0.027 4.497 4.470 0.001 0.000 0.227 205 S C 1.583 176.205 174.600 0.037 0.000 1.026 205 S CA 0.891 59.113 58.200 0.038 0.000 0.981 205 S CB 0.055 63.278 63.200 0.039 0.000 0.818 205 S HN 0.202 nan 8.310 nan 0.000 0.472 206 L N 0.524 121.767 121.223 0.034 0.000 2.872 206 L HA 0.316 4.656 4.340 0.001 0.000 0.245 206 L C 1.257 178.069 176.870 -0.097 0.000 1.211 206 L CA -0.182 54.637 54.840 -0.035 0.000 1.013 206 L CB -0.232 41.786 42.059 -0.067 0.000 1.326 206 L HN 0.180 nan 8.230 nan 0.000 0.525 207 F N 1.198 121.042 119.950 -0.176 0.000 2.087 207 F HA -0.321 4.206 4.527 0.001 0.000 0.299 207 F C 1.983 177.629 175.800 -0.256 0.000 1.100 207 F CA 1.981 59.822 58.000 -0.265 0.000 1.226 207 F CB 0.065 38.892 39.000 -0.288 0.000 0.983 207 F HN 0.042 nan 8.300 nan 0.000 0.479 208 L N -0.025 121.192 121.223 -0.009 0.000 2.093 208 L HA -0.173 4.167 4.340 0.001 0.000 0.208 208 L C 2.549 179.330 176.870 -0.149 0.000 1.085 208 L CA 1.307 56.105 54.840 -0.069 0.000 0.755 208 L CB -0.888 41.177 42.059 0.009 0.000 0.904 208 L HN 0.229 nan 8.230 nan 0.000 0.435 209 E N 0.671 120.783 120.200 -0.146 0.000 2.072 209 E HA -0.166 4.185 4.350 0.001 0.000 0.190 209 E C 2.223 178.685 176.600 -0.230 0.000 0.982 209 E CA 1.121 57.465 56.400 -0.093 0.000 0.803 209 E CB -0.484 29.176 29.700 -0.066 0.000 0.755 209 E HN 0.498 nan 8.360 nan 0.000 0.453 210 I N 1.748 122.016 120.570 -0.502 0.000 2.127 210 I HA -0.261 3.909 4.170 0.001 0.000 0.241 210 I C 2.483 178.384 176.117 -0.359 0.000 1.075 210 I CA 1.753 62.632 61.300 -0.701 0.000 1.334 210 I CB -0.631 36.944 38.000 -0.710 0.000 1.040 210 I HN 0.088 nan 8.210 nan 0.000 0.405 211 T N 0.246 114.570 114.554 -0.383 0.000 2.635 211 T HA -0.188 4.162 4.350 0.001 0.000 0.267 211 T C 2.094 176.719 174.700 -0.124 0.000 1.040 211 T CA 2.021 63.964 62.100 -0.262 0.000 1.156 211 T CB -0.225 68.396 68.868 -0.412 0.000 0.863 211 T HN 0.315 nan 8.240 nan 0.000 0.430 212 S N 1.265 116.920 115.700 -0.074 0.000 2.382 212 S HA -0.054 4.416 4.470 0.001 0.000 0.228 212 S C 2.534 177.251 174.600 0.195 0.000 1.027 212 S CA 0.951 59.179 58.200 0.046 0.000 0.991 212 S CB -0.551 62.660 63.200 0.019 0.000 0.823 212 S HN 0.597 nan 8.310 nan 0.000 0.469 213 A N 1.614 124.548 122.820 0.191 0.000 1.877 213 A HA -0.052 4.269 4.320 0.001 0.000 0.216 213 A C 2.083 179.658 177.584 -0.015 0.000 1.186 213 A CA 1.241 53.305 52.037 0.044 0.000 0.620 213 A CB -0.755 18.174 19.000 -0.119 0.000 0.822 213 A HN 0.460 nan 8.150 nan 0.000 0.443 214 I N -0.173 120.365 120.570 -0.054 0.000 2.127 214 I HA -0.334 3.836 4.170 0.001 0.000 0.241 214 I C 3.033 179.062 176.117 -0.146 0.000 1.075 214 I CA 1.234 62.450 61.300 -0.140 0.000 1.334 214 I CB -0.443 37.409 38.000 -0.246 0.000 1.040 214 I HN 0.373 nan 8.210 nan 0.000 0.405 215 A N 0.102 122.858 122.820 -0.107 0.000 1.892 215 A HA -0.297 4.023 4.320 0.001 0.000 0.218 215 A C 2.248 179.839 177.584 0.012 0.000 1.188 215 A CA 2.001 54.014 52.037 -0.041 0.000 0.631 215 A CB -0.688 18.307 19.000 -0.007 0.000 0.822 215 A HN 0.543 nan 8.150 nan 0.000 0.447 216 Q N -2.223 117.607 119.800 0.050 0.000 2.123 216 Q HA -0.034 4.307 4.340 0.001 0.000 0.196 216 Q C 2.115 178.156 176.000 0.068 0.000 0.958 216 Q CA 1.263 57.118 55.803 0.087 0.000 0.841 216 Q CB -0.206 28.638 28.738 0.177 0.000 0.915 216 Q HN 0.617 nan 8.270 nan 0.000 0.455 217 M N 1.549 121.154 119.600 0.008 0.000 2.117 217 M HA -0.215 4.265 4.480 0.001 0.000 0.262 217 M C 1.907 178.203 176.300 -0.007 0.000 1.065 217 M CA 1.709 56.992 55.300 -0.029 0.000 1.114 217 M CB -0.238 32.245 32.600 -0.195 0.000 1.361 217 M HN 0.206 nan 8.290 nan 0.000 0.408 218 E N -0.333 119.847 120.200 -0.034 0.000 2.065 218 E HA -0.300 4.051 4.350 0.001 0.000 0.201 218 E C 1.561 178.060 176.600 -0.168 0.000 1.016 218 E CA 2.014 58.393 56.400 -0.034 0.000 0.818 218 E CB -0.265 29.483 29.700 0.080 0.000 0.749 218 E HN 0.592 nan 8.360 nan 0.000 0.453 219 N N -0.525 118.011 118.700 -0.273 0.000 2.300 219 N HA -0.122 4.618 4.740 0.001 0.000 0.179 219 N C 1.329 176.531 175.510 -0.512 0.000 1.016 219 N CA 1.083 53.672 53.050 -0.769 0.000 0.876 219 N CB -0.496 37.370 38.487 -1.036 0.000 0.979 219 N HN 0.368 nan 8.380 nan 0.000 0.432 220 W N 2.158 123.350 121.300 -0.179 0.000 2.354 220 W HA -0.061 4.599 4.660 0.001 0.000 0.315 220 W C 2.409 178.955 176.519 0.044 0.000 1.206 220 W CA 1.256 58.630 57.345 0.047 0.000 1.290 220 W CB -0.375 29.121 29.460 0.060 0.000 1.152 220 W HN -0.094 nan 8.180 nan 0.000 0.489 221 M N 0.879 120.604 119.600 0.209 0.000 2.073 221 M HA -0.212 4.268 4.480 0.001 0.000 0.258 221 M C 1.978 178.292 176.300 0.024 0.000 1.070 221 M CA 2.845 58.176 55.300 0.051 0.000 1.103 221 M CB -1.421 31.182 32.600 0.005 0.000 1.321 221 M HN 0.103 nan 8.290 nan 0.000 0.405 222 V N -1.969 117.911 119.914 -0.056 0.000 2.358 222 V HA -0.221 3.899 4.120 0.001 0.000 0.246 222 V C 2.136 178.259 176.094 0.049 0.000 1.047 222 V CA 1.510 63.797 62.300 -0.022 0.000 1.035 222 V CB -1.700 30.031 31.823 -0.153 0.000 0.658 222 V HN 0.516 nan 8.190 nan 0.000 0.452 223 W N 0.408 121.682 121.300 -0.043 0.000 2.381 223 W HA 0.021 4.681 4.660 0.001 0.000 0.301 223 W C 2.719 179.122 176.519 -0.193 0.000 1.205 223 W CA 1.181 58.471 57.345 -0.092 0.000 1.285 223 W CB -1.264 28.135 29.460 -0.102 0.000 1.133 223 W HN 0.192 nan 8.180 nan 0.000 0.521 224 V N 1.097 120.923 119.914 -0.145 0.000 2.343 224 V HA -0.324 3.797 4.120 0.001 0.000 0.247 224 V C 2.371 178.330 176.094 -0.226 0.000 1.051 224 V CA 2.219 64.312 62.300 -0.345 0.000 1.036 224 V CB -0.886 30.480 31.823 -0.762 0.000 0.654 224 V HN 0.294 nan 8.190 nan 0.000 0.451 225 N N -0.110 118.580 118.700 -0.016 0.000 2.084 225 N HA -0.215 4.525 4.740 0.001 0.000 0.190 225 N C 1.588 177.108 175.510 0.017 0.000 1.030 225 N CA 1.717 54.757 53.050 -0.018 0.000 0.849 225 N CB -0.132 38.549 38.487 0.322 0.000 1.012 225 N HN 0.466 nan 8.380 nan 0.000 0.423 226 D N 0.992 121.463 120.400 0.118 0.000 2.123 226 D HA -0.163 4.477 4.640 0.001 0.000 0.196 226 D C 2.045 178.448 176.300 0.172 0.000 0.992 226 D CA 0.640 54.745 54.000 0.174 0.000 0.833 226 D CB -0.132 40.801 40.800 0.221 0.000 0.954 226 D HN 0.268 nan 8.370 nan 0.000 0.455 227 L N 0.846 122.120 121.223 0.084 0.000 1.976 227 L HA -0.147 4.193 4.340 0.001 0.000 0.209 227 L C 2.225 179.233 176.870 0.229 0.000 1.071 227 L CA 1.561 56.462 54.840 0.103 0.000 0.746 227 L CB -0.610 41.423 42.059 -0.043 0.000 0.890 227 L HN -0.087 nan 8.230 nan 0.000 0.432 228 M N -0.997 118.602 119.600 -0.001 0.000 2.267 228 M HA -0.147 4.334 4.480 0.001 0.000 0.263 228 M C 2.175 178.555 176.300 0.135 0.000 1.063 228 M CA 1.317 56.607 55.300 -0.017 0.000 1.090 228 M CB -1.467 30.735 32.600 -0.662 0.000 1.392 228 M HN 0.317 nan 8.290 nan 0.000 0.422 229 S N -0.262 115.539 115.700 0.168 0.000 2.501 229 S HA 0.028 4.498 4.470 0.001 0.000 0.220 229 S C 1.463 176.227 174.600 0.274 0.000 0.997 229 S CA -0.119 58.266 58.200 0.308 0.000 0.919 229 S CB -0.338 63.052 63.200 0.317 0.000 0.778 229 S HN 0.379 nan 8.310 nan 0.000 0.523 230 F N 1.659 121.718 119.950 0.181 0.000 2.192 230 F HA -0.197 4.331 4.527 0.001 0.000 0.301 230 F C 1.900 177.819 175.800 0.197 0.000 1.079 230 F CA 1.193 59.316 58.000 0.205 0.000 1.303 230 F CB -0.385 38.759 39.000 0.240 0.000 1.024 230 F HN 0.297 nan 8.300 nan 0.000 0.494 231 Y N 1.807 122.051 120.300 -0.094 0.000 2.153 231 Y HA -0.185 4.365 4.550 0.001 0.000 0.289 231 Y C 2.546 178.185 175.900 -0.436 0.000 1.127 231 Y CA 2.411 60.138 58.100 -0.621 0.000 1.131 231 Y CB -0.865 37.092 38.460 -0.839 0.000 0.995 231 Y HN 0.182 nan 8.280 nan 0.000 0.505 232 K N 0.092 120.263 120.400 -0.381 0.000 2.057 232 K HA -0.192 4.129 4.320 0.001 0.000 0.207 232 K C 1.624 178.026 176.600 -0.329 0.000 1.049 232 K CA 2.135 58.174 56.287 -0.413 0.000 0.931 232 K CB -0.583 31.811 32.500 -0.177 0.000 0.714 232 K HN 0.416 nan 8.250 nan 0.000 0.440 233 E N -0.097 119.977 120.200 -0.210 0.000 2.418 233 E HA -0.111 4.240 4.350 0.001 0.000 0.197 233 E C 1.533 177.996 176.600 -0.229 0.000 1.026 233 E CA 0.281 56.577 56.400 -0.172 0.000 0.862 233 E CB -0.200 29.456 29.700 -0.073 0.000 0.799 233 E HN 0.291 nan 8.360 nan 0.000 0.518 234 F N 2.270 121.925 119.950 -0.492 0.000 2.046 234 F HA -0.204 4.323 4.527 0.001 0.000 0.297 234 F C 1.442 177.068 175.800 -0.290 0.000 1.123 234 F CA 1.549 59.272 58.000 -0.462 0.000 1.199 234 F CB 0.198 38.925 39.000 -0.455 0.000 0.972 234 F HN -0.122 nan 8.300 nan 0.000 0.474 235 D N -0.054 120.160 120.400 -0.309 0.000 2.460 235 D HA 0.028 4.669 4.640 0.001 0.000 0.229 235 D C -0.451 175.704 176.300 -0.241 0.000 1.170 235 D CA 0.201 54.011 54.000 -0.318 0.000 0.827 235 D CB -0.499 40.188 40.800 -0.189 0.000 0.973 235 D HN 0.228 nan 8.370 nan 0.000 0.496 236 D N 0.877 121.138 120.400 -0.232 0.000 2.524 236 D HA 0.048 4.689 4.640 0.001 0.000 0.222 236 D C 1.048 177.263 176.300 -0.142 0.000 1.142 236 D CA -0.195 53.703 54.000 -0.170 0.000 0.973 236 D CB 0.315 41.023 40.800 -0.154 0.000 1.025 236 D HN 0.038 nan 8.370 nan 0.000 0.519 237 E N 1.183 121.303 120.200 -0.133 0.000 2.393 237 E HA -0.189 4.161 4.350 0.001 0.000 0.201 237 E C 1.525 178.077 176.600 -0.079 0.000 1.025 237 E CA 0.523 56.859 56.400 -0.106 0.000 0.856 237 E CB 0.343 29.986 29.700 -0.094 0.000 0.771 237 E HN 0.407 nan 8.360 nan 0.000 0.526 238 R N 0.813 121.267 120.500 -0.078 0.000 2.093 238 R HA -0.042 4.299 4.340 0.001 0.000 0.224 238 R C 0.518 176.788 176.300 -0.050 0.000 1.101 238 R CA 0.597 56.661 56.100 -0.060 0.000 0.979 238 R CB 0.115 30.379 30.300 -0.061 0.000 0.877 238 R HN 0.002 nan 8.270 nan 0.000 0.441 239 D N 0.343 120.708 120.400 -0.057 0.000 2.339 239 D HA 0.020 4.661 4.640 0.001 0.000 0.241 239 D C 0.423 176.702 176.300 -0.034 0.000 1.183 239 D CA 0.191 54.168 54.000 -0.039 0.000 0.859 239 D CB 1.150 41.926 40.800 -0.039 0.000 1.067 239 D HN 0.015 nan 8.370 nan 0.000 0.484 240 Q N 2.621 122.412 119.800 -0.015 0.000 2.373 240 Q HA 0.193 4.533 4.340 0.001 0.000 0.210 240 Q C 0.414 176.420 176.000 0.009 0.000 0.913 240 Q CA 0.405 56.203 55.803 -0.008 0.000 0.911 240 Q CB 0.465 29.204 28.738 0.002 0.000 1.040 240 Q HN 0.651 nan 8.270 nan 0.000 0.521 241 I N -1.818 118.765 120.570 0.022 0.000 2.646 241 I HA 0.707 4.878 4.170 0.001 0.000 0.299 241 I C -0.580 175.558 176.117 0.035 0.000 1.036 241 I CA -0.927 60.392 61.300 0.033 0.000 1.074 241 I CB 2.266 40.298 38.000 0.053 0.000 1.258 241 I HN -0.139 nan 8.210 nan 0.000 0.430 242 S N 3.992 119.713 115.700 0.034 0.000 2.597 242 S HA 0.257 4.728 4.470 0.001 0.000 0.274 242 S C 0.054 174.656 174.600 0.004 0.000 1.132 242 S CA -0.808 57.418 58.200 0.042 0.000 0.835 242 S CB 1.471 64.722 63.200 0.085 0.000 1.092 242 S HN 0.919 nan 8.310 nan 0.000 0.457 243 L N 1.978 123.189 121.223 -0.020 0.000 2.021 243 L HA -0.063 4.277 4.340 0.001 0.000 0.215 243 L C 2.214 178.964 176.870 -0.201 0.000 1.074 243 L CA 2.397 57.137 54.840 -0.168 0.000 0.760 243 L CB -0.820 41.202 42.059 -0.062 0.000 0.889 243 L HN 0.738 nan 8.230 nan 0.000 0.433 244 V N -0.504 119.456 119.914 0.077 0.000 2.283 244 V HA -0.256 3.864 4.120 0.001 0.000 0.243 244 V C 2.531 178.747 176.094 0.204 0.000 1.039 244 V CA 2.040 64.481 62.300 0.235 0.000 1.016 244 V CB -0.671 31.342 31.823 0.318 0.000 0.650 244 V HN 0.446 nan 8.190 nan 0.000 0.449 245 K N 0.398 120.890 120.400 0.153 0.000 2.152 245 K HA -0.177 4.143 4.320 0.001 0.000 0.206 245 K C 1.910 178.561 176.600 0.085 0.000 1.048 245 K CA 1.585 57.941 56.287 0.115 0.000 0.933 245 K CB -0.309 32.235 32.500 0.073 0.000 0.721 245 K HN 0.429 nan 8.250 nan 0.000 0.447 246 N N 0.115 118.840 118.700 0.042 0.000 2.300 246 N HA -0.099 4.641 4.740 0.001 0.000 0.179 246 N C 1.561 177.128 175.510 0.096 0.000 1.016 246 N CA 0.953 54.022 53.050 0.031 0.000 0.876 246 N CB -0.286 38.196 38.487 -0.008 0.000 0.979 246 N HN 0.179 nan 8.380 nan 0.000 0.432 247 Y N 1.252 121.606 120.300 0.091 0.000 2.145 247 Y HA -0.107 4.443 4.550 0.001 0.000 0.286 247 Y C 2.437 178.380 175.900 0.072 0.000 1.145 247 Y CA 0.413 58.561 58.100 0.080 0.000 1.148 247 Y CB -0.872 37.620 38.460 0.053 0.000 0.981 247 Y HN -0.194 nan 8.280 nan 0.000 0.507 248 V N -0.866 119.196 119.914 0.246 0.000 2.231 248 V HA -0.343 3.778 4.120 0.001 0.000 0.250 248 V C 2.337 178.505 176.094 0.123 0.000 1.058 248 V CA 2.034 64.428 62.300 0.156 0.000 1.022 248 V CB -1.165 30.736 31.823 0.130 0.000 0.640 248 V HN 0.230 nan 8.190 nan 0.000 0.445 249 V N -0.350 119.622 119.914 0.097 0.000 2.307 249 V HA -0.220 3.900 4.120 0.001 0.000 0.245 249 V C 2.509 178.649 176.094 0.077 0.000 1.045 249 V CA 2.427 64.762 62.300 0.059 0.000 1.024 249 V CB -0.595 31.226 31.823 -0.004 0.000 0.651 249 V HN 0.558 nan 8.190 nan 0.000 0.449 250 S N -0.481 115.283 115.700 0.106 0.000 2.387 250 S HA -0.137 4.333 4.470 0.001 0.000 0.226 250 S C 1.630 176.400 174.600 0.283 0.000 1.026 250 S CA 1.193 59.487 58.200 0.157 0.000 0.972 250 S CB -0.242 63.076 63.200 0.198 0.000 0.814 250 S HN 0.599 nan 8.310 nan 0.000 0.477 251 D N 0.703 121.271 120.400 0.279 0.000 2.333 251 D HA 0.051 4.691 4.640 0.001 0.000 0.208 251 D C -0.118 176.288 176.300 0.178 0.000 0.984 251 D CA 0.283 54.426 54.000 0.237 0.000 0.873 251 D CB -0.016 40.828 40.800 0.074 0.000 0.935 251 D HN 0.448 nan 8.370 nan 0.000 0.521 252 E N 0.522 120.812 120.200 0.150 0.000 2.287 252 E HA -0.190 4.161 4.350 0.001 0.000 0.229 252 E C 0.081 176.730 176.600 0.082 0.000 1.194 252 E CA 0.144 56.610 56.400 0.110 0.000 0.704 252 E CB -2.002 27.767 29.700 0.114 0.000 1.216 252 E HN 0.526 nan 8.360 nan 0.000 0.381 253 I N -3.250 117.367 120.570 0.078 0.000 3.206 253 I HA 0.634 4.804 4.170 0.001 0.000 0.313 253 I C 0.619 176.783 176.117 0.078 0.000 1.103 253 I CA -1.041 60.295 61.300 0.060 0.000 0.985 253 I CB 1.927 39.943 38.000 0.026 0.000 1.240 253 I HN 0.043 nan 8.210 nan 0.000 0.464 254 S N 1.791 117.542 115.700 0.085 0.000 2.614 254 S HA 0.183 4.653 4.470 0.001 0.000 0.265 254 S C 0.783 175.449 174.600 0.110 0.000 1.303 254 S CA -0.575 57.694 58.200 0.115 0.000 1.000 254 S CB 1.402 64.704 63.200 0.169 0.000 0.935 254 S HN 0.754 nan 8.310 nan 0.000 0.551 255 L N 1.134 122.411 121.223 0.090 0.000 2.131 255 L HA -0.077 4.264 4.340 0.001 0.000 0.210 255 L C 2.460 179.346 176.870 0.027 0.000 1.092 255 L CA 1.870 56.755 54.840 0.075 0.000 0.759 255 L CB -1.243 40.860 42.059 0.074 0.000 0.903 255 L HN 0.829 nan 8.230 nan 0.000 0.435 256 H N -0.109 119.029 119.070 0.113 0.000 2.293 256 H HA -0.131 4.425 4.556 0.001 0.000 0.300 256 H C 2.088 177.441 175.328 0.042 0.000 1.082 256 H CA 1.901 58.000 56.048 0.085 0.000 1.308 256 H CB -0.048 29.758 29.762 0.073 0.000 1.375 256 H HN 0.511 nan 8.280 nan 0.000 0.495 257 E N 0.608 120.898 120.200 0.150 0.000 2.058 257 E HA -0.141 4.209 4.350 0.001 0.000 0.194 257 E C 2.477 179.062 176.600 -0.025 0.000 0.997 257 E CA 0.872 57.298 56.400 0.044 0.000 0.801 257 E CB -0.047 29.667 29.700 0.024 0.000 0.746 257 E HN 0.387 nan 8.360 nan 0.000 0.450 258 A N 1.378 124.198 122.820 0.001 0.000 1.858 258 A HA -0.186 4.134 4.320 0.001 0.000 0.216 258 A C 2.198 179.745 177.584 -0.063 0.000 1.190 258 A CA 1.252 53.280 52.037 -0.015 0.000 0.617 258 A CB -0.670 18.417 19.000 0.145 0.000 0.827 258 A HN 0.239 nan 8.150 nan 0.000 0.443 259 L N -0.115 121.052 121.223 -0.093 0.000 2.127 259 L HA -0.148 4.192 4.340 0.001 0.000 0.211 259 L C 2.161 178.906 176.870 -0.209 0.000 1.089 259 L CA 2.685 57.353 54.840 -0.286 0.000 0.757 259 L CB -0.685 41.075 42.059 -0.499 0.000 0.899 259 L HN 0.525 nan 8.230 nan 0.000 0.434 260 E N 0.225 120.390 120.200 -0.058 0.000 2.012 260 E HA -0.289 4.061 4.350 0.001 0.000 0.197 260 E C 2.318 178.849 176.600 -0.113 0.000 1.007 260 E CA 1.998 58.405 56.400 0.011 0.000 0.816 260 E CB -0.325 29.387 29.700 0.019 0.000 0.762 260 E HN 0.452 nan 8.360 nan 0.000 0.451 261 K N -0.269 120.013 120.400 -0.195 0.000 2.034 261 K HA -0.248 4.073 4.320 0.001 0.000 0.214 261 K C 2.211 178.609 176.600 -0.337 0.000 1.051 261 K CA 1.787 57.888 56.287 -0.309 0.000 0.931 261 K CB -0.491 31.698 32.500 -0.519 0.000 0.715 261 K HN 0.222 nan 8.250 nan 0.000 0.446 262 L N 1.288 122.339 121.223 -0.286 0.000 2.013 262 L HA -0.207 4.133 4.340 0.001 0.000 0.212 262 L C 2.051 178.716 176.870 -0.341 0.000 1.073 262 L CA 2.309 56.972 54.840 -0.295 0.000 0.753 262 L CB -1.070 40.900 42.059 -0.149 0.000 0.890 262 L HN 0.254 nan 8.230 nan 0.000 0.432 263 T N -0.555 113.843 114.554 -0.260 0.000 2.684 263 T HA -0.247 4.103 4.350 0.001 0.000 0.267 263 T C 1.805 176.388 174.700 -0.195 0.000 1.036 263 T CA 1.897 63.869 62.100 -0.213 0.000 1.148 263 T CB -0.291 68.495 68.868 -0.135 0.000 0.863 263 T HN 0.520 nan 8.240 nan 0.000 0.436 264 Q N 0.678 120.368 119.800 -0.182 0.000 2.061 264 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 264 Q C 2.209 178.096 176.000 -0.188 0.000 0.984 264 Q CA 1.504 57.214 55.803 -0.155 0.000 0.846 264 Q CB -0.258 28.397 28.738 -0.138 0.000 0.902 264 Q HN 0.514 nan 8.270 nan 0.000 0.421 265 D N 0.055 120.228 120.400 -0.378 0.000 2.084 265 D HA -0.126 4.514 4.640 0.001 0.000 0.194 265 D C 1.998 178.076 176.300 -0.370 0.000 0.990 265 D CA 1.722 55.355 54.000 -0.612 0.000 0.826 265 D CB -0.582 39.278 40.800 -1.568 0.000 0.971 265 D HN 0.196 nan 8.370 nan 0.000 0.453 266 T N 1.734 116.086 114.554 -0.337 0.000 2.635 266 T HA -0.138 4.212 4.350 0.001 0.000 0.267 266 T C 2.262 176.938 174.700 -0.039 0.000 1.040 266 T CA 0.851 62.894 62.100 -0.095 0.000 1.156 266 T CB -0.452 68.319 68.868 -0.161 0.000 0.863 266 T HN 0.117 nan 8.240 nan 0.000 0.430 267 L N -0.182 120.955 121.223 -0.143 0.000 2.005 267 L HA -0.116 4.224 4.340 0.001 0.000 0.207 267 L C 2.612 179.385 176.870 -0.161 0.000 1.072 267 L CA 1.766 56.432 54.840 -0.290 0.000 0.744 267 L CB -0.765 41.061 42.059 -0.388 0.000 0.895 267 L HN 0.470 nan 8.230 nan 0.000 0.433 268 H N -0.849 118.137 119.070 -0.140 0.000 2.352 268 H HA -0.220 4.337 4.556 0.001 0.000 0.299 268 H C 2.583 177.967 175.328 0.092 0.000 1.097 268 H CA 1.377 57.410 56.048 -0.025 0.000 1.311 268 H CB 0.351 30.104 29.762 -0.014 0.000 1.377 268 H HN 0.231 nan 8.280 nan 0.000 0.504 269 S N -0.561 115.255 115.700 0.192 0.000 2.370 269 S HA -0.163 4.308 4.470 0.001 0.000 0.226 269 S C 2.333 177.158 174.600 0.376 0.000 1.033 269 S CA 1.514 59.899 58.200 0.308 0.000 1.011 269 S CB -0.254 63.286 63.200 0.566 0.000 0.852 269 S HN 0.472 nan 8.310 nan 0.000 0.457 270 S N 1.212 117.152 115.700 0.400 0.000 2.348 270 S HA -0.097 4.374 4.470 0.001 0.000 0.221 270 S C 1.880 176.640 174.600 0.267 0.000 1.033 270 S CA 1.466 59.893 58.200 0.379 0.000 1.010 270 S CB -0.472 62.947 63.200 0.364 0.000 0.891 270 S HN 0.622 nan 8.310 nan 0.000 0.442 271 K N 0.822 121.381 120.400 0.264 0.000 2.044 271 K HA -0.196 4.125 4.320 0.001 0.000 0.210 271 K C 2.098 178.854 176.600 0.259 0.000 1.049 271 K CA 1.442 57.950 56.287 0.369 0.000 0.927 271 K CB -0.120 32.626 32.500 0.411 0.000 0.713 271 K HN 0.162 nan 8.250 nan 0.000 0.443 272 Q N 0.070 120.009 119.800 0.231 0.000 2.224 272 Q HA -0.140 4.200 4.340 0.001 0.000 0.203 272 Q C 1.904 177.982 176.000 0.129 0.000 0.970 272 Q CA 1.118 57.016 55.803 0.158 0.000 0.865 272 Q CB -0.219 28.576 28.738 0.096 0.000 0.922 272 Q HN 0.364 nan 8.270 nan 0.000 0.445 273 M N -0.215 119.473 119.600 0.147 0.000 2.086 273 M HA -0.115 4.366 4.480 0.001 0.000 0.261 273 M C 1.898 178.308 176.300 0.184 0.000 1.067 273 M CA 1.312 56.703 55.300 0.151 0.000 1.116 273 M CB -0.356 32.227 32.600 -0.030 0.000 1.348 273 M HN -0.034 nan 8.290 nan 0.000 0.407 274 V N 0.460 120.453 119.914 0.133 0.000 2.270 274 V HA -0.216 3.904 4.120 0.001 0.000 0.245 274 V C 2.588 178.747 176.094 0.109 0.000 1.043 274 V CA 1.766 64.142 62.300 0.126 0.000 1.014 274 V CB -1.785 30.116 31.823 0.130 0.000 0.645 274 V HN 0.637 nan 8.190 nan 0.000 0.447 275 A N -0.101 122.779 122.820 0.100 0.000 1.915 275 A HA -0.235 4.085 4.320 0.001 0.000 0.220 275 A C 2.382 179.963 177.584 -0.005 0.000 1.198 275 A CA 2.643 54.716 52.037 0.058 0.000 0.647 275 A CB -0.830 18.213 19.000 0.073 0.000 0.825 275 A HN 0.363 nan 8.150 nan 0.000 0.456 276 V N -2.241 117.638 119.914 -0.059 0.000 2.407 276 V HA -0.112 4.008 4.120 0.001 0.000 0.245 276 V C 2.040 177.898 176.094 -0.393 0.000 1.041 276 V CA 1.728 63.864 62.300 -0.274 0.000 1.040 276 V CB -0.726 30.818 31.823 -0.465 0.000 0.671 276 V HN 0.558 nan 8.190 nan 0.000 0.455 277 F N -0.163 119.781 119.950 -0.010 0.000 2.776 277 F HA 0.111 4.639 4.527 0.001 0.000 0.300 277 F C 2.383 178.182 175.800 -0.001 0.000 1.116 277 F CA 0.366 58.358 58.000 -0.013 0.000 1.375 277 F CB -0.426 38.561 39.000 -0.022 0.000 1.109 277 F HN -0.026 nan 8.300 nan 0.000 0.585 278 S N 0.274 116.053 115.700 0.132 0.000 2.359 278 S HA -0.237 4.233 4.470 0.001 0.000 0.222 278 S C 1.618 176.260 174.600 0.070 0.000 1.038 278 S CA 1.870 60.124 58.200 0.091 0.000 1.051 278 S CB -0.589 62.650 63.200 0.065 0.000 0.944 278 S HN 0.566 nan 8.310 nan 0.000 0.433 279 D N 0.738 121.161 120.400 0.039 0.000 2.323 279 D HA 0.115 4.755 4.640 0.001 0.000 0.239 279 D C 0.332 176.647 176.300 0.026 0.000 1.129 279 D CA 0.243 54.258 54.000 0.025 0.000 0.865 279 D CB 0.106 40.909 40.800 0.005 0.000 0.913 279 D HN 0.122 nan 8.370 nan 0.000 0.517 280 K N 0.521 120.955 120.400 0.057 0.000 2.502 280 K HA 0.162 4.483 4.320 0.001 0.000 0.252 280 K C -0.042 176.611 176.600 0.088 0.000 1.043 280 K CA -0.866 55.461 56.287 0.067 0.000 0.999 280 K CB 0.364 32.929 32.500 0.108 0.000 1.343 280 K HN -0.157 nan 8.250 nan 0.000 0.513 281 D N 2.323 122.777 120.400 0.090 0.000 2.662 281 D HA -0.078 4.562 4.640 0.001 0.000 0.233 281 D C -1.421 174.950 176.300 0.117 0.000 1.129 281 D CA -0.723 53.333 54.000 0.093 0.000 0.851 281 D CB 0.776 41.638 40.800 0.102 0.000 1.152 281 D HN 0.161 nan 8.370 nan 0.000 0.507 282 P HA -0.230 nan 4.420 nan 0.000 0.216 282 P C 1.380 178.747 177.300 0.113 0.000 1.150 282 P CA 1.223 64.375 63.100 0.086 0.000 0.843 282 P CB 0.267 32.000 31.700 0.055 0.000 0.787 283 Q N -0.325 119.556 119.800 0.135 0.000 2.119 283 Q HA -0.085 4.255 4.340 0.001 0.000 0.201 283 Q C 2.254 178.485 176.000 0.385 0.000 0.972 283 Q CA 1.262 57.182 55.803 0.195 0.000 0.847 283 Q CB -0.258 28.548 28.738 0.114 0.000 0.903 283 Q HN 0.084 nan 8.270 nan 0.000 0.433 284 V N 0.716 120.863 119.914 0.387 0.000 2.244 284 V HA -0.295 3.825 4.120 0.001 0.000 0.244 284 V C 2.315 178.541 176.094 0.220 0.000 1.042 284 V CA 1.857 64.385 62.300 0.380 0.000 1.006 284 V CB -0.549 31.369 31.823 0.158 0.000 0.641 284 V HN 0.444 nan 8.190 nan 0.000 0.446 285 M N 0.869 120.562 119.600 0.154 0.000 2.195 285 M HA -0.201 4.279 4.480 0.001 0.000 0.260 285 M C 1.626 177.941 176.300 0.025 0.000 1.066 285 M CA 2.125 57.476 55.300 0.085 0.000 1.089 285 M CB -0.828 31.838 32.600 0.109 0.000 1.377 285 M HN 0.438 nan 8.290 nan 0.000 0.411 286 D N -1.256 119.182 120.400 0.063 0.000 2.084 286 D HA -0.130 4.510 4.640 0.001 0.000 0.196 286 D C 1.662 177.947 176.300 -0.026 0.000 0.985 286 D CA 1.996 56.010 54.000 0.022 0.000 0.826 286 D CB -0.294 40.538 40.800 0.054 0.000 0.978 286 D HN 0.393 nan 8.370 nan 0.000 0.456 287 T N 0.293 114.859 114.554 0.020 0.000 2.684 287 T HA -0.127 4.223 4.350 0.001 0.000 0.267 287 T C 2.078 176.624 174.700 -0.255 0.000 1.036 287 T CA 1.144 63.163 62.100 -0.135 0.000 1.148 287 T CB -0.305 68.397 68.868 -0.277 0.000 0.863 287 T HN 0.189 nan 8.240 nan 0.000 0.436 288 I N 0.579 121.011 120.570 -0.230 0.000 2.142 288 I HA -0.181 3.990 4.170 0.001 0.000 0.240 288 I C 2.725 178.666 176.117 -0.292 0.000 1.078 288 I CA 1.513 62.631 61.300 -0.303 0.000 1.343 288 I CB -0.413 37.365 38.000 -0.370 0.000 1.046 288 I HN 0.339 nan 8.210 nan 0.000 0.405 289 E N 0.233 120.272 120.200 -0.270 0.000 2.077 289 E HA -0.242 4.109 4.350 0.001 0.000 0.193 289 E C 2.408 178.713 176.600 -0.493 0.000 0.989 289 E CA 1.659 57.813 56.400 -0.410 0.000 0.800 289 E CB 0.014 29.533 29.700 -0.302 0.000 0.746 289 E HN 0.517 nan 8.360 nan 0.000 0.452 290 C N 0.088 119.229 119.300 -0.264 0.000 2.432 290 C HA -0.148 4.312 4.460 0.001 0.000 0.277 290 C C 2.373 177.285 174.990 -0.130 0.000 1.249 290 C CA 0.684 59.608 59.018 -0.156 0.000 1.725 290 C CB -1.147 26.521 27.740 -0.119 0.000 2.028 290 C HN 0.546 nan 8.230 nan 0.000 0.477 291 F N 1.305 121.074 119.950 -0.302 0.000 2.095 291 F HA -0.214 4.314 4.527 0.001 0.000 0.298 291 F C 2.339 178.060 175.800 -0.133 0.000 1.104 291 F CA 1.868 59.675 58.000 -0.321 0.000 1.232 291 F CB -0.536 38.123 39.000 -0.569 0.000 0.987 291 F HN 0.147 nan 8.300 nan 0.000 0.475 292 M N -0.640 118.749 119.600 -0.352 0.000 2.080 292 M HA -0.263 4.217 4.480 0.001 0.000 0.260 292 M C 2.304 178.682 176.300 0.131 0.000 1.068 292 M CA 2.232 57.342 55.300 -0.317 0.000 1.109 292 M CB -1.044 31.176 32.600 -0.632 0.000 1.342 292 M HN 0.314 nan 8.290 nan 0.000 0.405 293 H N -1.018 118.082 119.070 0.051 0.000 2.299 293 H HA -0.073 4.483 4.556 0.001 0.000 0.302 293 H C 2.289 177.753 175.328 0.226 0.000 1.078 293 H CA 0.800 56.992 56.048 0.241 0.000 1.323 293 H CB -0.351 29.548 29.762 0.228 0.000 1.381 293 H HN 0.482 nan 8.280 nan 0.000 0.498 294 G N 0.287 109.228 108.800 0.236 0.000 2.446 294 G HA2 -0.353 3.607 3.960 0.001 0.000 0.217 294 G HA3 -0.353 3.607 3.960 0.001 0.000 0.217 294 G C 1.478 176.523 174.900 0.242 0.000 1.168 294 G CA 0.981 46.214 45.100 0.220 0.000 0.771 294 G HN 0.394 nan 8.290 nan 0.000 0.551 295 Y N 1.065 121.293 120.300 -0.120 0.000 2.207 295 Y HA -0.143 4.407 4.550 0.001 0.000 0.287 295 Y C 2.928 178.974 175.900 0.242 0.000 1.156 295 Y CA 1.436 59.501 58.100 -0.059 0.000 1.182 295 Y CB -0.207 38.011 38.460 -0.403 0.000 0.979 295 Y HN 0.064 nan 8.280 nan 0.000 0.521 296 V N -1.213 118.851 119.914 0.249 0.000 2.379 296 V HA -0.265 3.855 4.120 0.001 0.000 0.245 296 V C 2.201 178.298 176.094 0.005 0.000 1.044 296 V CA 2.189 64.524 62.300 0.057 0.000 1.036 296 V CB -1.060 30.660 31.823 -0.173 0.000 0.664 296 V HN 0.400 nan 8.190 nan 0.000 0.453 297 T N -0.809 113.821 114.554 0.127 0.000 2.652 297 T HA -0.295 4.056 4.350 0.001 0.000 0.267 297 T C 1.439 176.262 174.700 0.204 0.000 1.039 297 T CA 2.156 64.364 62.100 0.181 0.000 1.153 297 T CB -0.467 68.565 68.868 0.273 0.000 0.863 297 T HN 0.688 nan 8.240 nan 0.000 0.428 298 W N 2.252 123.615 121.300 0.105 0.000 2.302 298 W HA -0.245 4.415 4.660 0.001 0.000 0.320 298 W C 2.318 178.753 176.519 -0.140 0.000 1.241 298 W CA 1.545 58.877 57.345 -0.020 0.000 1.264 298 W CB -0.843 28.515 29.460 -0.170 0.000 1.154 298 W HN 0.389 nan 8.180 nan 0.000 0.483 299 H N -0.205 118.610 119.070 -0.425 0.000 2.352 299 H HA -0.155 4.402 4.556 0.001 0.000 0.299 299 H C 2.331 177.464 175.328 -0.325 0.000 1.097 299 H CA 2.218 57.844 56.048 -0.704 0.000 1.311 299 H CB -0.786 28.595 29.762 -0.636 0.000 1.377 299 H HN 0.260 nan 8.280 nan 0.000 0.504 300 L N -0.624 120.543 121.223 -0.093 0.000 2.201 300 L HA -0.148 4.192 4.340 0.001 0.000 0.212 300 L C 2.473 179.242 176.870 -0.168 0.000 1.105 300 L CA 0.669 55.436 54.840 -0.122 0.000 0.775 300 L CB 0.022 41.926 42.059 -0.258 0.000 0.913 300 L HN 0.278 nan 8.230 nan 0.000 0.440 301 C N -1.960 117.266 119.300 -0.123 0.000 2.558 301 C HA 0.065 4.525 4.460 0.001 0.000 0.288 301 C C 1.168 176.139 174.990 -0.030 0.000 1.338 301 C CA -0.741 58.241 59.018 -0.059 0.000 1.760 301 C CB -0.176 27.596 27.740 0.052 0.000 2.159 301 C HN 0.351 nan 8.230 nan 0.000 0.518 302 D N 1.174 121.492 120.400 -0.138 0.000 2.390 302 D HA 0.028 4.669 4.640 0.001 0.000 0.249 302 D C 0.917 177.181 176.300 -0.060 0.000 1.144 302 D CA 0.044 53.967 54.000 -0.128 0.000 0.880 302 D CB 0.665 41.245 40.800 -0.368 0.000 1.182 302 D HN 0.194 nan 8.370 nan 0.000 0.451 303 R N 3.681 124.165 120.500 -0.026 0.000 2.127 303 R HA -0.179 4.162 4.340 0.001 0.000 0.238 303 R C 1.909 178.149 176.300 -0.101 0.000 1.134 303 R CA 0.752 56.839 56.100 -0.022 0.000 0.975 303 R CB -0.439 29.857 30.300 -0.007 0.000 0.865 303 R HN 0.591 nan 8.270 nan 0.000 0.447 304 K N 0.322 120.591 120.400 -0.217 0.000 2.077 304 K HA -0.217 4.104 4.320 0.001 0.000 0.213 304 K C 1.428 177.693 176.600 -0.557 0.000 1.051 304 K CA 1.872 57.895 56.287 -0.439 0.000 0.929 304 K CB -0.190 31.905 32.500 -0.675 0.000 0.715 304 K HN 0.183 nan 8.250 nan 0.000 0.451 305 Y N 0.160 120.400 120.300 -0.100 0.000 2.546 305 Y HA 0.150 4.701 4.550 0.001 0.000 0.287 305 Y C 0.398 176.338 175.900 0.066 0.000 1.158 305 Y CA 0.479 58.563 58.100 -0.027 0.000 1.307 305 Y CB 0.112 38.547 38.460 -0.043 0.000 1.036 305 Y HN 0.057 nan 8.280 nan 0.000 0.532 306 R N -0.346 120.222 120.500 0.115 0.000 3.610 306 R HA -0.254 4.086 4.340 0.001 0.000 0.274 306 R C 0.745 177.191 176.300 0.244 0.000 1.123 306 R CA 0.657 56.856 56.100 0.166 0.000 0.747 306 R CB -2.277 28.107 30.300 0.139 0.000 1.149 306 R HN 0.432 nan 8.270 nan 0.000 0.471 307 L N -0.046 121.321 121.223 0.241 0.000 2.275 307 L HA -0.170 4.170 4.340 0.001 0.000 0.215 307 L C 2.561 179.603 176.870 0.288 0.000 1.119 307 L CA 1.638 56.619 54.840 0.234 0.000 0.790 307 L CB -0.456 41.814 42.059 0.352 0.000 0.919 307 L HN 0.496 nan 8.230 nan 0.000 0.443 308 S N -0.308 115.571 115.700 0.298 0.000 2.383 308 S HA -0.253 4.217 4.470 0.001 0.000 0.229 308 S C 1.659 176.334 174.600 0.125 0.000 1.030 308 S CA 1.370 59.706 58.200 0.228 0.000 1.002 308 S CB -0.339 62.985 63.200 0.206 0.000 0.829 308 S HN 0.510 nan 8.310 nan 0.000 0.467 309 E N 1.113 121.374 120.200 0.102 0.000 2.085 309 E HA -0.096 4.254 4.350 0.001 0.000 0.194 309 E C 2.041 178.625 176.600 -0.027 0.000 0.994 309 E CA 1.609 58.044 56.400 0.058 0.000 0.801 309 E CB -0.419 29.362 29.700 0.135 0.000 0.743 309 E HN 0.612 nan 8.360 nan 0.000 0.453 310 I N 0.235 120.715 120.570 -0.150 0.000 2.361 310 I HA -0.266 3.904 4.170 0.001 0.000 0.251 310 I C 2.301 178.459 176.117 0.069 0.000 1.133 310 I CA 0.884 62.094 61.300 -0.150 0.000 1.413 310 I CB -0.220 37.632 38.000 -0.247 0.000 1.073 310 I HN 0.168 nan 8.210 nan 0.000 0.424 311 Y N 2.172 122.463 120.300 -0.014 0.000 2.109 311 Y HA -0.215 4.335 4.550 0.001 0.000 0.285 311 Y C 1.766 177.611 175.900 -0.091 0.000 1.131 311 Y CA 1.436 59.469 58.100 -0.111 0.000 1.121 311 Y CB -0.157 37.894 38.460 -0.681 0.000 0.987 311 Y HN -0.005 nan 8.280 nan 0.000 0.495 312 E N 1.008 121.204 120.200 -0.007 0.000 3.079 312 E HA -0.000 4.350 4.350 0.001 0.000 0.267 312 E C 0.863 177.424 176.600 -0.066 0.000 1.509 312 E CA 0.362 56.727 56.400 -0.057 0.000 1.630 312 E CB -0.416 29.313 29.700 0.048 0.000 1.373 312 E HN 0.519 nan 8.360 nan 0.000 0.439 313 K N -1.290 119.049 120.400 -0.102 0.000 2.929 313 K HA -0.003 4.318 4.320 0.001 0.000 0.188 313 K C 0.798 177.356 176.600 -0.071 0.000 1.654 313 K CA 0.809 57.060 56.287 -0.059 0.000 1.349 313 K CB 0.541 33.023 32.500 -0.030 0.000 1.879 313 K HN 0.128 nan 8.250 nan 0.000 0.626 314 V N -0.384 119.477 119.914 -0.090 0.000 3.376 314 V HA 0.268 4.389 4.120 0.001 0.000 0.313 314 V C 1.559 177.572 176.094 -0.135 0.000 1.393 314 V CA 0.118 62.378 62.300 -0.067 0.000 1.125 314 V CB 0.364 32.178 31.823 -0.014 0.000 1.037 314 V HN 0.215 nan 8.190 nan 0.000 0.440 315 K N 2.697 122.930 120.400 -0.280 0.000 2.089 315 K HA -0.232 4.089 4.320 0.001 0.000 0.210 315 K C 1.727 178.188 176.600 -0.232 0.000 1.048 315 K CA 2.506 58.514 56.287 -0.465 0.000 0.926 315 K CB 0.093 32.298 32.500 -0.492 0.000 0.714 315 K HN 0.891 nan 8.250 nan 0.000 0.448 316 E N -0.307 119.811 120.200 -0.136 0.000 2.693 316 E HA 0.090 4.441 4.350 0.001 0.000 0.214 316 E C -0.439 176.134 176.600 -0.045 0.000 0.990 316 E CA -0.367 55.988 56.400 -0.075 0.000 1.047 316 E CB 0.324 29.990 29.700 -0.057 0.000 1.039 316 E HN 0.216 nan 8.360 nan 0.000 0.475 317 E N 1.696 121.870 120.200 -0.043 0.000 2.390 317 E HA 0.069 4.419 4.350 0.001 0.000 0.261 317 E C 0.024 176.620 176.600 -0.008 0.000 1.076 317 E CA -0.097 56.291 56.400 -0.020 0.000 0.905 317 E CB 0.780 30.472 29.700 -0.014 0.000 0.984 317 E HN 0.068 nan 8.360 nan 0.000 0.427 318 K N 1.768 122.168 120.400 -0.001 0.000 2.478 318 K HA 0.102 4.422 4.320 0.001 0.000 0.205 318 K C 0.020 176.627 176.600 0.011 0.000 1.033 318 K CA -0.071 56.218 56.287 0.004 0.000 1.091 318 K CB 0.784 33.284 32.500 0.001 0.000 0.844 318 K HN 0.590 nan 8.250 nan 0.000 0.507 319 T N -1.970 112.594 114.554 0.016 0.000 2.766 319 T HA 0.073 4.424 4.350 0.001 0.000 0.295 319 T C 1.267 175.985 174.700 0.031 0.000 1.024 319 T CA -0.453 61.659 62.100 0.020 0.000 1.018 319 T CB 1.691 70.571 68.868 0.019 0.000 1.002 319 T HN 0.155 nan 8.240 nan 0.000 0.532 320 E N 0.497 120.716 120.200 0.031 0.000 2.001 320 E HA -0.214 4.136 4.350 0.001 0.000 0.195 320 E C 1.588 178.228 176.600 0.066 0.000 1.002 320 E CA 1.692 58.116 56.400 0.040 0.000 0.819 320 E CB -0.230 29.491 29.700 0.035 0.000 0.769 320 E HN 0.739 nan 8.360 nan 0.000 0.454 321 D N 0.441 120.885 120.400 0.074 0.000 2.160 321 D HA -0.266 4.374 4.640 0.001 0.000 0.189 321 D C 1.879 178.272 176.300 0.156 0.000 1.003 321 D CA 1.694 55.762 54.000 0.112 0.000 0.846 321 D CB -0.676 40.172 40.800 0.079 0.000 0.949 321 D HN 0.335 nan 8.370 nan 0.000 0.446 322 A N 0.925 123.811 122.820 0.110 0.000 1.909 322 A HA -0.347 3.973 4.320 0.001 0.000 0.221 322 A C 2.177 179.874 177.584 0.188 0.000 1.223 322 A CA 2.615 54.731 52.037 0.130 0.000 0.658 322 A CB -0.966 18.070 19.000 0.061 0.000 0.831 322 A HN 0.375 nan 8.150 nan 0.000 0.462 323 Q N -0.816 119.056 119.800 0.120 0.000 2.083 323 Q HA -0.136 4.205 4.340 0.001 0.000 0.198 323 Q C 2.118 178.180 176.000 0.104 0.000 0.969 323 Q CA 1.549 57.409 55.803 0.095 0.000 0.838 323 Q CB -0.182 28.583 28.738 0.045 0.000 0.900 323 Q HN 0.725 nan 8.270 nan 0.000 0.436 324 K N 0.011 120.476 120.400 0.108 0.000 2.147 324 K HA -0.159 4.162 4.320 0.001 0.000 0.205 324 K C 1.812 178.527 176.600 0.192 0.000 1.049 324 K CA 1.107 57.427 56.287 0.055 0.000 0.936 324 K CB -0.193 32.367 32.500 0.100 0.000 0.722 324 K HN 0.103 nan 8.250 nan 0.000 0.446 325 F N 1.720 121.791 119.950 0.201 0.000 2.053 325 F HA -0.199 4.329 4.527 0.001 0.000 0.292 325 F C 2.176 178.190 175.800 0.357 0.000 1.125 325 F CA 1.119 59.306 58.000 0.313 0.000 1.193 325 F CB -0.655 38.480 39.000 0.224 0.000 0.996 325 F HN -0.042 nan 8.300 nan 0.000 0.470 326 C N 1.532 121.000 119.300 0.280 0.000 2.403 326 C HA -0.213 4.247 4.460 0.001 0.000 0.277 326 C C 2.699 177.833 174.990 0.241 0.000 1.248 326 C CA 1.399 60.587 59.018 0.282 0.000 1.762 326 C CB -1.304 26.558 27.740 0.204 0.000 2.014 326 C HN 0.483 nan 8.230 nan 0.000 0.486 327 K N -0.011 120.461 120.400 0.119 0.000 2.002 327 K HA -0.135 4.186 4.320 0.001 0.000 0.209 327 K C 1.764 178.404 176.600 0.065 0.000 1.048 327 K CA 1.492 57.799 56.287 0.033 0.000 0.930 327 K CB -0.455 31.977 32.500 -0.113 0.000 0.714 327 K HN 0.358 nan 8.250 nan 0.000 0.438 328 F N 0.413 120.396 119.950 0.055 0.000 2.126 328 F HA -0.230 4.297 4.527 0.001 0.000 0.299 328 F C 2.429 178.247 175.800 0.029 0.000 1.096 328 F CA 1.009 59.058 58.000 0.081 0.000 1.255 328 F CB -0.932 38.105 39.000 0.061 0.000 0.997 328 F HN 0.066 nan 8.300 nan 0.000 0.479 329 Y N 1.331 121.610 120.300 -0.036 0.000 2.030 329 Y HA -0.304 4.246 4.550 0.001 0.000 0.274 329 Y C 2.380 178.216 175.900 -0.106 0.000 1.153 329 Y CA 2.271 60.264 58.100 -0.178 0.000 1.115 329 Y CB -0.816 37.447 38.460 -0.328 0.000 0.969 329 Y HN 0.172 nan 8.280 nan 0.000 0.488 330 E N -0.204 120.132 120.200 0.227 0.000 2.147 330 E HA -0.334 4.017 4.350 0.001 0.000 0.199 330 E C 2.175 178.798 176.600 0.037 0.000 1.005 330 E CA 1.606 58.078 56.400 0.119 0.000 0.810 330 E CB -0.299 29.486 29.700 0.141 0.000 0.736 330 E HN 0.667 nan 8.360 nan 0.000 0.460 331 Q N 0.311 120.148 119.800 0.061 0.000 2.002 331 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 331 Q C 2.392 178.389 176.000 -0.005 0.000 0.988 331 Q CA 1.540 57.360 55.803 0.028 0.000 0.843 331 Q CB -0.301 28.480 28.738 0.072 0.000 0.908 331 Q HN 0.322 nan 8.270 nan 0.000 0.420 332 A N 1.277 124.113 122.820 0.027 0.000 1.859 332 A HA -0.248 4.072 4.320 0.001 0.000 0.217 332 A C 2.372 179.903 177.584 -0.089 0.000 1.198 332 A CA 2.115 54.147 52.037 -0.008 0.000 0.629 332 A CB -1.260 17.695 19.000 -0.075 0.000 0.830 332 A HN 0.466 nan 8.150 nan 0.000 0.446 333 A N 0.333 123.050 122.820 -0.172 0.000 1.915 333 A HA -0.342 3.978 4.320 0.001 0.000 0.220 333 A C 1.900 179.458 177.584 -0.042 0.000 1.198 333 A CA 2.267 54.239 52.037 -0.109 0.000 0.647 333 A CB -0.999 17.954 19.000 -0.078 0.000 0.825 333 A HN 0.644 nan 8.150 nan 0.000 0.456 334 N N -0.148 118.530 118.700 -0.038 0.000 2.060 334 N HA -0.185 4.555 4.740 0.001 0.000 0.195 334 N C 1.631 177.112 175.510 -0.049 0.000 1.028 334 N CA 2.559 55.591 53.050 -0.031 0.000 0.861 334 N CB -0.601 37.867 38.487 -0.032 0.000 1.029 334 N HN 0.675 nan 8.380 nan 0.000 0.428 335 V N -3.867 115.998 119.914 -0.082 0.000 3.661 335 V HA 0.450 4.571 4.120 0.001 0.000 0.271 335 V C 1.910 177.904 176.094 -0.166 0.000 1.315 335 V CA 0.872 63.087 62.300 -0.141 0.000 1.072 335 V CB 0.196 31.901 31.823 -0.195 0.000 0.830 335 V HN 0.156 nan 8.190 nan 0.000 0.443 336 G N 0.696 109.453 108.800 -0.073 0.000 2.497 336 G HA2 0.296 4.256 3.960 0.001 0.000 0.210 336 G HA3 0.296 4.256 3.960 0.001 0.000 0.210 336 G C 0.971 175.975 174.900 0.174 0.000 1.177 336 G CA 0.438 45.586 45.100 0.080 0.000 0.822 336 G HN 0.819 nan 8.290 nan 0.000 0.550 337 A N 0.402 123.269 122.820 0.079 0.000 2.505 337 A HA 0.492 4.812 4.320 0.001 0.000 0.271 337 A C -0.646 177.010 177.584 0.120 0.000 1.112 337 A CA 0.269 52.362 52.037 0.093 0.000 0.781 337 A CB -0.085 18.948 19.000 0.055 0.000 1.059 337 A HN 0.503 nan 8.150 nan 0.000 0.508 338 V N 3.070 123.090 119.914 0.175 0.000 2.567 338 V HA 0.239 4.360 4.120 0.001 0.000 0.298 338 V C 0.441 176.701 176.094 0.276 0.000 1.047 338 V CA -0.597 61.831 62.300 0.214 0.000 0.880 338 V CB 1.702 33.668 31.823 0.238 0.000 1.009 338 V HN 0.949 nan 8.190 nan 0.000 0.429 339 S N 5.975 121.793 115.700 0.197 0.000 2.544 339 S HA 0.146 4.617 4.470 0.001 0.000 0.290 339 S C -1.116 173.576 174.600 0.153 0.000 1.276 339 S CA -0.500 57.785 58.200 0.142 0.000 1.075 339 S CB 1.006 64.252 63.200 0.077 0.000 0.849 339 S HN 0.612 nan 8.310 nan 0.000 0.494 340 P HA -0.167 nan 4.420 nan 0.000 0.217 340 P C 1.646 178.682 177.300 -0.439 0.000 1.151 340 P CA 1.647 64.504 63.100 -0.405 0.000 0.849 340 P CB -0.130 31.346 31.700 -0.372 0.000 0.787 341 S N -0.617 114.983 115.700 -0.166 0.000 2.462 341 S HA -0.225 4.245 4.470 0.001 0.000 0.243 341 S C 1.643 176.249 174.600 0.009 0.000 1.003 341 S CA 1.254 59.398 58.200 -0.094 0.000 0.970 341 S CB -1.121 62.030 63.200 -0.081 0.000 0.762 341 S HN 0.346 nan 8.310 nan 0.000 0.510 342 E N -0.091 120.175 120.200 0.110 0.000 2.371 342 E HA 0.015 4.365 4.350 0.001 0.000 0.194 342 E C 1.614 178.515 176.600 0.501 0.000 1.012 342 E CA 0.897 57.454 56.400 0.262 0.000 0.860 342 E CB -0.035 29.836 29.700 0.285 0.000 0.811 342 E HN 0.996 nan 8.360 nan 0.000 0.502 343 W N -0.963 120.481 121.300 0.240 0.000 4.301 343 W HA 0.423 5.084 4.660 0.001 0.000 0.191 343 W C 0.367 176.739 176.519 -0.245 0.000 1.108 343 W CA -0.032 57.377 57.345 0.108 0.000 1.676 343 W CB -0.092 29.426 29.460 0.096 0.000 0.650 343 W HN -0.148 nan 8.180 nan 0.000 0.943 344 A N 2.765 124.860 122.820 -1.209 0.000 2.915 344 A HA 0.471 4.792 4.320 0.001 0.000 0.292 344 A C -1.107 175.879 177.584 -0.996 0.000 1.632 344 A CA 0.337 51.286 52.037 -1.813 0.000 1.337 344 A CB -1.860 15.929 19.000 -2.019 0.000 1.111 344 A HN 0.454 nan 8.150 nan 0.000 0.569 345 Y N -0.166 119.822 120.300 -0.521 0.000 2.604 345 Y HA 0.724 5.274 4.550 0.000 0.000 0.331 345 Y C -3.232 172.807 175.900 0.231 0.000 1.158 345 Y CA -2.769 55.290 58.100 -0.069 0.000 1.056 345 Y CB 0.623 39.038 38.460 -0.075 0.000 1.330 345 Y HN 0.271 nan 8.280 nan 0.000 0.457 346 P HA 0.327 nan 4.420 nan 0.000 0.279 346 P C -2.754 174.662 177.300 0.192 0.000 1.282 346 P CA -1.635 61.607 63.100 0.236 0.000 0.788 346 P CB 0.794 32.588 31.700 0.157 0.000 1.139 347 P HA -0.001 nan 4.420 nan 0.000 0.271 347 P C 1.260 178.596 177.300 0.060 0.000 1.218 347 P CA -0.053 63.108 63.100 0.102 0.000 0.780 347 P CB 0.608 32.330 31.700 0.037 0.000 0.901 348 V N 2.450 122.391 119.914 0.045 0.000 2.380 348 V HA -0.312 3.809 4.120 0.001 0.000 0.251 348 V C 2.654 178.727 176.094 -0.035 0.000 1.063 348 V CA 2.800 65.079 62.300 -0.034 0.000 1.055 348 V CB -1.802 29.999 31.823 -0.037 0.000 0.657 348 V HN 0.687 nan 8.190 nan 0.000 0.455 349 A N -0.517 122.294 122.820 -0.017 0.000 1.858 349 A HA -0.336 3.984 4.320 0.001 0.000 0.216 349 A C 2.294 179.867 177.584 -0.018 0.000 1.190 349 A CA 2.222 54.249 52.037 -0.017 0.000 0.617 349 A CB -0.644 18.349 19.000 -0.012 0.000 0.827 349 A HN 0.606 nan 8.150 nan 0.000 0.443 350 Q N -0.373 119.421 119.800 -0.010 0.000 2.112 350 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 350 Q C 1.984 177.971 176.000 -0.022 0.000 0.987 350 Q CA 1.882 57.681 55.803 -0.007 0.000 0.858 350 Q CB -0.283 28.461 28.738 0.010 0.000 0.905 350 Q HN 0.687 nan 8.270 nan 0.000 0.420 351 L N -0.073 121.119 121.223 -0.053 0.000 2.093 351 L HA -0.127 4.213 4.340 0.001 0.000 0.208 351 L C 2.556 179.388 176.870 -0.064 0.000 1.085 351 L CA 0.832 55.616 54.840 -0.093 0.000 0.755 351 L CB -0.563 41.357 42.059 -0.232 0.000 0.904 351 L HN 0.317 nan 8.230 nan 0.000 0.435 352 A N -0.050 122.739 122.820 -0.052 0.000 1.930 352 A HA -0.244 4.076 4.320 0.001 0.000 0.217 352 A C 2.076 179.648 177.584 -0.020 0.000 1.175 352 A CA 1.958 53.974 52.037 -0.034 0.000 0.627 352 A CB -0.773 18.211 19.000 -0.026 0.000 0.815 352 A HN 0.545 nan 8.150 nan 0.000 0.443 353 N N -0.443 118.247 118.700 -0.016 0.000 2.216 353 N HA -0.048 4.692 4.740 0.001 0.000 0.183 353 N C 0.607 176.115 175.510 -0.004 0.000 1.017 353 N CA 0.554 53.599 53.050 -0.008 0.000 0.861 353 N CB -0.102 38.381 38.487 -0.006 0.000 0.986 353 N HN 0.247 nan 8.380 nan 0.000 0.428 354 V N 0.000 119.912 119.914 -0.003 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.303 62.300 0.005 0.000 1.235 354 V CB 0.000 31.830 31.823 0.012 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556