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 3a2q_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDLWQDATAQ AELVRSGEIS RTELLEATIA HVQAVNPEIN AVIIPLFEKA DATA SEQUENCE RRESELASGP FAGVPYLLKD LTVVSQGDIN TSSIKGMKES GYRADHDAYF DATA SEQUENCE VQRMRAAGFV LLGKTNTPEM GNQVTTEPEA WGATRNPWNL GRSVGGSSGG DATA SEQUENCE SGAAVAAALS PVAHGNDAAG AVRIPASVCG VVGLKPTRGR ISPGPLVTDS DATA SEQUENCE DNVAGAAHEG LFARSVRDIA ALLDVVSGHR PGDTFCAPTA SRPYAQGISE DATA SEQUENCE NPGSLRVGVL THNPVGDFAL DPECAAAARG AAAALAALGH DVNDAYPEAL DATA SEQUENCE GDRSFLKDYS TICDVAIARE IERNGELIGR PLTEDDVEWT SWEMVKRADQ DATA SEQUENCE VTGRAFAACV DELRYYAGKV ERWWEAGWDL LILPTVTRQT PEIGELMLAK DATA SEQUENCE GTDLEGRQSA FISGSLQMLA FTVPFNVSGQ PAISLPIGMS SDGMPIGVQI DATA SEQUENCE VAAYGREDLL LQVAAQLEGA LPWVARRPQL LN 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.097 176.094 0.005 0.000 1.182 4 V CA 0.000 62.305 62.300 0.008 0.000 1.235 4 V CB 0.000 31.829 31.823 0.009 0.000 1.184 5 D N 4.326 124.740 120.400 0.023 0.000 2.352 5 D HA 0.346 4.988 4.640 0.002 0.000 0.245 5 D C 0.918 177.257 176.300 0.065 0.000 1.224 5 D CA -0.076 53.949 54.000 0.042 0.000 0.879 5 D CB 1.112 41.952 40.800 0.067 0.000 1.057 5 D HN 0.521 nan 8.370 nan 0.000 0.491 6 L N 3.340 124.587 121.223 0.039 0.000 2.610 6 L HA 0.069 4.410 4.340 0.002 0.000 0.232 6 L C 1.495 178.469 176.870 0.173 0.000 1.149 6 L CA -0.149 54.724 54.840 0.055 0.000 0.872 6 L CB -0.080 41.945 42.059 -0.058 0.000 0.992 6 L HN 0.603 nan 8.230 nan 0.000 0.447 7 W N 1.144 122.427 121.300 -0.028 0.000 3.256 7 W HA 0.028 4.689 4.660 0.002 0.000 0.269 7 W C 0.550 177.094 176.519 0.042 0.000 1.310 7 W CA -0.310 57.041 57.345 0.010 0.000 1.673 7 W CB 0.499 29.962 29.460 0.004 0.000 1.115 7 W HN 0.178 nan 8.180 nan 0.000 0.686 8 Q N 1.737 121.572 119.800 0.058 0.000 2.340 8 Q HA 0.031 4.372 4.340 0.002 0.000 0.249 8 Q C 0.202 176.176 176.000 -0.044 0.000 0.957 8 Q CA 0.196 55.999 55.803 0.000 0.000 0.882 8 Q CB 0.932 29.697 28.738 0.045 0.000 1.235 8 Q HN 0.176 nan 8.270 nan 0.000 0.439 9 D N -0.050 120.325 120.400 -0.041 0.000 2.414 9 D HA 0.150 4.791 4.640 0.002 0.000 0.251 9 D C 0.779 177.133 176.300 0.091 0.000 1.252 9 D CA 0.002 54.001 54.000 -0.003 0.000 0.999 9 D CB 0.335 41.143 40.800 0.013 0.000 1.093 9 D HN 0.442 nan 8.370 nan 0.000 0.515 10 A N -0.304 122.607 122.820 0.151 0.000 1.908 10 A HA -0.160 4.162 4.320 0.002 0.000 0.218 10 A C 2.152 179.971 177.584 0.392 0.000 1.181 10 A CA 2.183 54.384 52.037 0.274 0.000 0.627 10 A CB -1.326 17.833 19.000 0.265 0.000 0.818 10 A HN 0.668 nan 8.150 nan 0.000 0.445 11 T N 0.229 115.004 114.554 0.369 0.000 2.708 11 T HA -0.020 4.331 4.350 0.002 0.000 0.266 11 T C 2.212 176.971 174.700 0.099 0.000 1.037 11 T CA 1.631 63.891 62.100 0.267 0.000 1.146 11 T CB -0.420 68.563 68.868 0.191 0.000 0.865 11 T HN 0.599 nan 8.240 nan 0.000 0.435 12 A N 1.181 124.053 122.820 0.087 0.000 1.930 12 A HA -0.100 4.221 4.320 0.002 0.000 0.217 12 A C 2.274 179.886 177.584 0.047 0.000 1.175 12 A CA 1.228 53.292 52.037 0.045 0.000 0.627 12 A CB -0.546 18.476 19.000 0.037 0.000 0.815 12 A HN 0.517 nan 8.150 nan 0.000 0.443 13 Q N -0.728 119.120 119.800 0.079 0.000 2.167 13 Q HA -0.064 4.278 4.340 0.002 0.000 0.202 13 Q C 2.372 178.407 176.000 0.058 0.000 0.970 13 Q CA 1.155 57.004 55.803 0.076 0.000 0.855 13 Q CB -0.313 28.490 28.738 0.109 0.000 0.911 13 Q HN 0.692 nan 8.270 nan 0.000 0.438 14 A N 1.173 124.028 122.820 0.059 0.000 1.930 14 A HA -0.198 4.124 4.320 0.002 0.000 0.217 14 A C 1.767 179.310 177.584 -0.068 0.000 1.175 14 A CA 1.259 53.280 52.037 -0.026 0.000 0.627 14 A CB -0.268 18.641 19.000 -0.151 0.000 0.815 14 A HN 0.296 nan 8.150 nan 0.000 0.443 15 E N -0.177 119.989 120.200 -0.057 0.000 2.106 15 E HA -0.087 4.265 4.350 0.002 0.000 0.192 15 E C 1.854 178.436 176.600 -0.030 0.000 0.984 15 E CA 0.793 57.160 56.400 -0.055 0.000 0.806 15 E CB -0.232 29.442 29.700 -0.044 0.000 0.750 15 E HN 0.607 nan 8.360 nan 0.000 0.458 16 L N 0.423 121.640 121.223 -0.010 0.000 2.131 16 L HA -0.168 4.173 4.340 0.002 0.000 0.210 16 L C 2.306 179.172 176.870 -0.006 0.000 1.092 16 L CA 0.663 55.502 54.840 -0.002 0.000 0.759 16 L CB -0.204 41.862 42.059 0.012 0.000 0.903 16 L HN 0.076 nan 8.230 nan 0.000 0.435 17 V N -0.686 119.222 119.914 -0.010 0.000 2.407 17 V HA -0.178 3.944 4.120 0.002 0.000 0.245 17 V C 2.576 178.655 176.094 -0.025 0.000 1.041 17 V CA 1.339 63.632 62.300 -0.012 0.000 1.040 17 V CB -0.504 31.313 31.823 -0.010 0.000 0.671 17 V HN 0.398 nan 8.190 nan 0.000 0.455 18 R N -0.003 120.472 120.500 -0.042 0.000 2.075 18 R HA -0.146 4.195 4.340 0.002 0.000 0.232 18 R C 2.613 178.891 176.300 -0.036 0.000 1.126 18 R CA 1.660 57.730 56.100 -0.049 0.000 0.963 18 R CB -0.377 29.878 30.300 -0.075 0.000 0.858 18 R HN 0.473 nan 8.270 nan 0.000 0.435 19 S N -1.287 114.395 115.700 -0.031 0.000 2.399 19 S HA -0.064 4.407 4.470 0.002 0.000 0.231 19 S C 1.324 175.914 174.600 -0.016 0.000 1.022 19 S CA 1.737 59.924 58.200 -0.023 0.000 0.983 19 S CB -0.071 63.118 63.200 -0.018 0.000 0.803 19 S HN 0.702 nan 8.310 nan 0.000 0.480 20 G N 0.231 109.022 108.800 -0.014 0.000 2.232 20 G HA2 -0.213 3.748 3.960 0.002 0.000 0.226 20 G HA3 -0.213 3.748 3.960 0.002 0.000 0.226 20 G C 0.672 175.569 174.900 -0.005 0.000 0.996 20 G CA 0.458 45.553 45.100 -0.009 0.000 0.626 20 G HN 0.514 nan 8.290 nan 0.000 0.509 21 E N -0.088 120.109 120.200 -0.004 0.000 2.086 21 E HA -0.085 4.266 4.350 0.002 0.000 0.200 21 E C 1.081 177.683 176.600 0.002 0.000 1.012 21 E CA 1.309 57.708 56.400 -0.001 0.000 0.812 21 E CB 0.054 29.755 29.700 0.001 0.000 0.743 21 E HN 0.656 nan 8.360 nan 0.000 0.453 22 I N -0.404 120.168 120.570 0.003 0.000 2.740 22 I HA 0.137 4.308 4.170 0.002 0.000 0.303 22 I C 0.073 176.193 176.117 0.005 0.000 1.044 22 I CA -0.691 60.613 61.300 0.006 0.000 1.064 22 I CB 2.090 40.097 38.000 0.012 0.000 1.249 22 I HN -0.126 nan 8.210 nan 0.000 0.433 23 S N 2.358 118.063 115.700 0.007 0.000 2.687 23 S HA 0.376 4.847 4.470 0.002 0.000 0.283 23 S C 1.082 175.690 174.600 0.013 0.000 1.170 23 S CA -0.517 57.687 58.200 0.008 0.000 1.008 23 S CB 1.214 64.418 63.200 0.007 0.000 1.026 23 S HN 0.596 nan 8.310 nan 0.000 0.541 24 R N 0.739 121.247 120.500 0.014 0.000 2.120 24 R HA -0.050 4.291 4.340 0.002 0.000 0.234 24 R C 1.928 178.244 176.300 0.027 0.000 1.123 24 R CA 1.889 58.003 56.100 0.023 0.000 0.975 24 R CB -0.798 29.516 30.300 0.023 0.000 0.866 24 R HN 0.639 nan 8.270 nan 0.000 0.446 25 T N 0.713 115.279 114.554 0.020 0.000 2.857 25 T HA -0.078 4.274 4.350 0.002 0.000 0.266 25 T C 1.521 176.229 174.700 0.012 0.000 1.048 25 T CA 0.989 63.099 62.100 0.017 0.000 1.139 25 T CB -0.016 68.859 68.868 0.012 0.000 0.874 25 T HN 0.338 nan 8.240 nan 0.000 0.455 26 E N 0.692 120.898 120.200 0.011 0.000 2.017 26 E HA -0.111 4.241 4.350 0.002 0.000 0.193 26 E C 2.155 178.763 176.600 0.013 0.000 0.997 26 E CA 0.938 57.343 56.400 0.009 0.000 0.804 26 E CB -0.280 29.425 29.700 0.008 0.000 0.757 26 E HN 0.183 nan 8.360 nan 0.000 0.448 27 L N 1.299 122.536 121.223 0.023 0.000 2.012 27 L HA -0.189 4.152 4.340 0.002 0.000 0.210 27 L C 2.154 179.047 176.870 0.039 0.000 1.073 27 L CA 1.551 56.411 54.840 0.034 0.000 0.748 27 L CB -0.523 41.563 42.059 0.045 0.000 0.891 27 L HN 0.181 nan 8.230 nan 0.000 0.431 28 L N -0.969 120.278 121.223 0.040 0.000 2.017 28 L HA -0.190 4.151 4.340 0.002 0.000 0.208 28 L C 2.580 179.453 176.870 0.004 0.000 1.073 28 L CA 1.454 56.319 54.840 0.042 0.000 0.745 28 L CB -0.384 41.704 42.059 0.048 0.000 0.894 28 L HN 0.347 nan 8.230 nan 0.000 0.432 29 E N -0.037 120.157 120.200 -0.011 0.000 2.150 29 E HA -0.164 4.187 4.350 0.002 0.000 0.193 29 E C 2.099 178.675 176.600 -0.041 0.000 0.985 29 E CA 1.188 57.561 56.400 -0.045 0.000 0.814 29 E CB -0.209 29.471 29.700 -0.032 0.000 0.752 29 E HN 0.561 nan 8.360 nan 0.000 0.466 30 A N 0.655 123.469 122.820 -0.010 0.000 1.969 30 A HA -0.111 4.210 4.320 0.002 0.000 0.218 30 A C 2.384 179.983 177.584 0.025 0.000 1.169 30 A CA 1.790 53.829 52.037 0.003 0.000 0.635 30 A CB -0.612 18.392 19.000 0.007 0.000 0.810 30 A HN 0.212 nan 8.150 nan 0.000 0.445 31 T N 0.199 114.771 114.554 0.031 0.000 2.812 31 T HA 0.003 4.354 4.350 0.002 0.000 0.264 31 T C 1.793 176.516 174.700 0.039 0.000 1.042 31 T CA 1.300 63.444 62.100 0.074 0.000 1.140 31 T CB -0.333 68.587 68.868 0.087 0.000 0.870 31 T HN 0.418 nan 8.240 nan 0.000 0.445 32 I N 1.504 122.021 120.570 -0.088 0.000 2.226 32 I HA -0.169 4.002 4.170 0.002 0.000 0.245 32 I C 2.942 178.895 176.117 -0.273 0.000 1.100 32 I CA 1.048 62.142 61.300 -0.343 0.000 1.374 32 I CB -0.504 37.133 38.000 -0.604 0.000 1.057 32 I HN 0.190 nan 8.210 nan 0.000 0.413 33 A N 0.309 123.045 122.820 -0.140 0.000 1.877 33 A HA -0.315 4.006 4.320 0.002 0.000 0.216 33 A C 2.213 179.794 177.584 -0.005 0.000 1.186 33 A CA 2.201 54.192 52.037 -0.077 0.000 0.620 33 A CB -1.007 17.973 19.000 -0.033 0.000 0.822 33 A HN 0.513 nan 8.150 nan 0.000 0.443 34 H N -0.196 118.845 119.070 -0.050 0.000 2.352 34 H HA -0.092 4.465 4.556 0.002 0.000 0.299 34 H C 1.843 177.169 175.328 -0.004 0.000 1.097 34 H CA 1.991 58.030 56.048 -0.016 0.000 1.311 34 H CB -0.340 29.427 29.762 0.009 0.000 1.377 34 H HN 0.123 nan 8.280 nan 0.000 0.504 35 V N 0.792 120.677 119.914 -0.049 0.000 2.295 35 V HA -0.302 3.819 4.120 0.002 0.000 0.246 35 V C 2.360 178.428 176.094 -0.043 0.000 1.049 35 V CA 2.285 64.556 62.300 -0.049 0.000 1.024 35 V CB -0.606 31.286 31.823 0.116 0.000 0.648 35 V HN 0.546 nan 8.190 nan 0.000 0.447 36 Q N -0.298 119.479 119.800 -0.037 0.000 2.181 36 Q HA -0.179 4.162 4.340 0.002 0.000 0.205 36 Q C 2.346 178.325 176.000 -0.035 0.000 0.980 36 Q CA 1.787 57.583 55.803 -0.011 0.000 0.862 36 Q CB -0.350 28.361 28.738 -0.045 0.000 0.905 36 Q HN 0.704 nan 8.270 nan 0.000 0.429 37 A N -0.041 122.736 122.820 -0.072 0.000 1.878 37 A HA -0.040 4.281 4.320 0.002 0.000 0.213 37 A C 2.201 179.722 177.584 -0.104 0.000 1.192 37 A CA 0.891 52.886 52.037 -0.071 0.000 0.619 37 A CB -0.188 18.782 19.000 -0.050 0.000 0.837 37 A HN 0.183 nan 8.150 nan 0.000 0.446 38 V N 0.330 120.123 119.914 -0.202 0.000 2.599 38 V HA -0.108 4.013 4.120 0.002 0.000 0.245 38 V C 2.270 178.285 176.094 -0.130 0.000 1.046 38 V CA 1.716 63.894 62.300 -0.204 0.000 1.065 38 V CB -0.875 30.716 31.823 -0.385 0.000 0.703 38 V HN 0.663 nan 8.190 nan 0.000 0.464 39 N N 0.731 119.362 118.700 -0.115 0.000 2.192 39 N HA -0.135 4.606 4.740 0.002 0.000 0.188 39 N C -0.719 174.773 175.510 -0.030 0.000 1.013 39 N CA 1.771 54.786 53.050 -0.058 0.000 0.863 39 N CB -0.897 37.576 38.487 -0.024 0.000 0.990 39 N HN 0.322 nan 8.380 nan 0.000 0.430 40 P HA -0.113 nan 4.420 nan 0.000 0.218 40 P C 0.602 177.898 177.300 -0.007 0.000 1.148 40 P CA 1.264 64.362 63.100 -0.004 0.000 0.822 40 P CB -0.001 31.698 31.700 -0.002 0.000 0.784 41 E N -0.777 119.410 120.200 -0.021 0.000 2.216 41 E HA -0.056 4.295 4.350 0.002 0.000 0.192 41 E C 1.801 178.394 176.600 -0.012 0.000 0.988 41 E CA 0.890 57.280 56.400 -0.018 0.000 0.834 41 E CB -0.220 29.463 29.700 -0.029 0.000 0.772 41 E HN 0.419 nan 8.360 nan 0.000 0.479 42 I N -2.733 117.826 120.570 -0.018 0.000 4.181 42 I HA 0.238 4.410 4.170 0.002 0.000 0.331 42 I C 0.317 176.429 176.117 -0.009 0.000 1.312 42 I CA -0.293 61.000 61.300 -0.012 0.000 1.146 42 I CB 0.206 38.195 38.000 -0.019 0.000 1.074 42 I HN -0.140 nan 8.210 nan 0.000 0.402 43 N N 1.962 120.657 118.700 -0.009 0.000 2.725 43 N HA -0.237 4.504 4.740 0.002 0.000 0.251 43 N C 0.589 176.077 175.510 -0.036 0.000 1.031 43 N CA 0.772 53.820 53.050 -0.004 0.000 0.720 43 N CB -0.659 37.845 38.487 0.028 0.000 0.930 43 N HN 0.694 nan 8.380 nan 0.000 0.543 44 A N -0.886 121.901 122.820 -0.055 0.000 1.862 44 A HA 0.268 4.589 4.320 0.002 0.000 0.211 44 A C 0.703 178.211 177.584 -0.127 0.000 1.220 44 A CA 1.069 53.056 52.037 -0.083 0.000 0.616 44 A CB 0.221 19.180 19.000 -0.069 0.000 0.878 44 A HN 0.229 nan 8.150 nan 0.000 0.453 45 V N 2.575 122.419 119.914 -0.117 0.000 2.389 45 V HA 0.135 4.256 4.120 0.002 0.000 0.264 45 V C 1.089 177.053 176.094 -0.217 0.000 1.049 45 V CA 0.336 62.540 62.300 -0.161 0.000 0.932 45 V CB 0.539 32.299 31.823 -0.105 0.000 1.011 45 V HN 0.565 nan 8.190 nan 0.000 0.475 46 I N 2.429 122.773 120.570 -0.377 0.000 3.645 46 I HA 0.390 4.561 4.170 0.002 0.000 0.300 46 I C 0.540 176.317 176.117 -0.567 0.000 1.260 46 I CA 0.878 61.829 61.300 -0.582 0.000 1.365 46 I CB 0.326 37.572 38.000 -1.256 0.000 1.077 46 I HN 0.337 nan 8.210 nan 0.000 0.439 47 I N 4.513 124.818 120.570 -0.441 0.000 2.623 47 I HA 0.371 4.543 4.170 0.002 0.000 0.275 47 I C -2.581 173.343 176.117 -0.322 0.000 1.108 47 I CA -1.817 59.295 61.300 -0.314 0.000 1.120 47 I CB 1.481 39.313 38.000 -0.279 0.000 1.249 47 I HN -0.121 nan 8.210 nan 0.000 0.500 48 P HA 0.161 nan 4.420 nan 0.000 0.271 48 P C -0.381 176.537 177.300 -0.637 0.000 1.216 48 P CA -0.020 62.650 63.100 -0.717 0.000 0.776 48 P CB 1.462 32.508 31.700 -1.091 0.000 0.881 49 L N 2.560 123.415 121.223 -0.612 0.000 2.913 49 L HA 0.250 4.592 4.340 0.002 0.000 0.283 49 L C 0.962 177.738 176.870 -0.157 0.000 1.336 49 L CA -0.355 54.298 54.840 -0.311 0.000 0.815 49 L CB -0.177 41.765 42.059 -0.195 0.000 1.188 49 L HN 0.138 nan 8.230 nan 0.000 0.551 50 F N -0.018 119.919 119.950 -0.021 0.000 2.171 50 F HA -0.128 4.400 4.527 0.002 0.000 0.300 50 F C 2.396 178.196 175.800 -0.000 0.000 1.090 50 F CA 0.892 58.888 58.000 -0.007 0.000 1.293 50 F CB -0.253 38.746 39.000 -0.002 0.000 1.013 50 F HN 0.243 nan 8.300 nan 0.000 0.486 51 E N 0.645 120.938 120.200 0.155 0.000 2.047 51 E HA -0.206 4.145 4.350 0.002 0.000 0.191 51 E C 2.204 178.843 176.600 0.065 0.000 0.987 51 E CA 1.083 57.540 56.400 0.094 0.000 0.799 51 E CB -0.587 29.148 29.700 0.057 0.000 0.752 51 E HN 0.415 nan 8.360 nan 0.000 0.449 52 K N 0.938 121.361 120.400 0.037 0.000 2.057 52 K HA -0.102 4.220 4.320 0.002 0.000 0.207 52 K C 2.114 178.746 176.600 0.053 0.000 1.049 52 K CA 1.347 57.652 56.287 0.029 0.000 0.931 52 K CB -0.125 32.374 32.500 -0.001 0.000 0.714 52 K HN 0.058 nan 8.250 nan 0.000 0.440 53 A N 1.347 124.209 122.820 0.070 0.000 1.940 53 A HA -0.167 4.154 4.320 0.002 0.000 0.219 53 A C 2.081 179.723 177.584 0.096 0.000 1.176 53 A CA 1.569 53.664 52.037 0.097 0.000 0.631 53 A CB -0.444 18.640 19.000 0.139 0.000 0.814 53 A HN 0.373 nan 8.150 nan 0.000 0.446 54 R N -0.856 119.700 120.500 0.093 0.000 2.115 54 R HA -0.023 4.319 4.340 0.002 0.000 0.226 54 R C 2.426 178.761 176.300 0.058 0.000 1.100 54 R CA 1.316 57.460 56.100 0.073 0.000 0.980 54 R CB -0.177 30.165 30.300 0.070 0.000 0.875 54 R HN 0.543 nan 8.270 nan 0.000 0.445 55 R N 0.565 121.098 120.500 0.055 0.000 2.062 55 R HA -0.069 4.272 4.340 0.002 0.000 0.229 55 R C 1.986 178.316 176.300 0.050 0.000 1.128 55 R CA 1.285 57.412 56.100 0.045 0.000 0.960 55 R CB -0.166 30.157 30.300 0.039 0.000 0.855 55 R HN 0.308 nan 8.270 nan 0.000 0.432 56 E N 0.698 120.935 120.200 0.061 0.000 2.153 56 E HA -0.156 4.196 4.350 0.002 0.000 0.194 56 E C 1.991 178.634 176.600 0.070 0.000 0.988 56 E CA 1.132 57.574 56.400 0.071 0.000 0.811 56 E CB -0.098 29.658 29.700 0.094 0.000 0.746 56 E HN 0.161 nan 8.360 nan 0.000 0.466 57 S N 0.864 116.606 115.700 0.071 0.000 2.382 57 S HA -0.206 4.265 4.470 0.002 0.000 0.228 57 S C 1.793 176.420 174.600 0.044 0.000 1.027 57 S CA 1.287 59.525 58.200 0.063 0.000 0.991 57 S CB -0.087 63.151 63.200 0.063 0.000 0.823 57 S HN 0.248 nan 8.310 nan 0.000 0.469 58 E N 0.312 120.536 120.200 0.040 0.000 2.150 58 E HA -0.052 4.299 4.350 0.002 0.000 0.193 58 E C 1.897 178.513 176.600 0.027 0.000 0.985 58 E CA 1.172 57.590 56.400 0.029 0.000 0.814 58 E CB -0.151 29.565 29.700 0.027 0.000 0.752 58 E HN 0.522 nan 8.360 nan 0.000 0.466 59 L N 0.480 121.723 121.223 0.032 0.000 2.416 59 L HA 0.198 4.539 4.340 0.002 0.000 0.216 59 L C 1.145 178.033 176.870 0.030 0.000 1.098 59 L CA -0.475 54.383 54.840 0.029 0.000 0.840 59 L CB -0.131 41.948 42.059 0.033 0.000 0.981 59 L HN -0.060 nan 8.230 nan 0.000 0.462 60 A N 1.087 123.929 122.820 0.037 0.000 2.587 60 A HA 0.261 4.583 4.320 0.002 0.000 0.233 60 A C 0.484 178.076 177.584 0.012 0.000 1.049 60 A CA 0.792 52.849 52.037 0.034 0.000 0.754 60 A CB -0.109 18.917 19.000 0.044 0.000 0.977 60 A HN 0.410 nan 8.150 nan 0.000 0.509 61 S N 0.847 116.550 115.700 0.004 0.000 2.543 61 S HA 0.853 5.324 4.470 0.002 0.000 0.273 61 S C -0.273 174.312 174.600 -0.025 0.000 1.152 61 S CA 0.161 58.353 58.200 -0.013 0.000 0.910 61 S CB 1.194 64.391 63.200 -0.006 0.000 1.105 61 S HN 2.769 nan 8.310 nan 0.000 0.465 62 G N 2.029 110.799 108.800 -0.051 0.000 2.346 62 G HA2 0.281 4.243 3.960 0.002 0.000 0.294 62 G HA3 0.281 4.243 3.960 0.002 0.000 0.294 62 G C -2.695 172.122 174.900 -0.138 0.000 1.294 62 G CA -0.138 44.923 45.100 -0.065 0.000 0.962 62 G HN 0.627 nan 8.290 nan 0.000 0.508 63 P HA 0.097 nan 4.420 nan 0.000 0.228 63 P C 0.410 177.234 177.300 -0.794 0.000 1.151 63 P CA 1.205 64.053 63.100 -0.420 0.000 0.770 63 P CB -0.046 31.431 31.700 -0.371 0.000 0.786 64 F N -0.672 119.079 119.950 -0.332 0.000 2.810 64 F HA 0.424 4.952 4.527 0.002 0.000 0.353 64 F C 0.826 176.365 175.800 -0.436 0.000 1.227 64 F CA -1.021 56.660 58.000 -0.531 0.000 1.210 64 F CB -0.192 38.041 39.000 -1.279 0.000 1.039 64 F HN -0.200 nan 8.300 nan 0.000 0.509 65 A N 0.390 123.121 122.820 -0.148 0.000 2.561 65 A HA 0.385 4.707 4.320 0.002 0.000 0.251 65 A C 1.556 179.120 177.584 -0.034 0.000 1.062 65 A CA 1.264 53.256 52.037 -0.075 0.000 0.761 65 A CB -0.698 18.268 19.000 -0.058 0.000 0.986 65 A HN 1.239 nan 8.150 nan 0.000 0.510 66 G N 1.323 110.131 108.800 0.012 0.000 2.217 66 G HA2 -0.192 3.769 3.960 0.002 0.000 0.246 66 G HA3 -0.192 3.769 3.960 0.002 0.000 0.246 66 G C 0.260 175.217 174.900 0.095 0.000 0.990 66 G CA 0.056 45.187 45.100 0.051 0.000 0.627 66 G HN 1.489 nan 8.290 nan 0.000 0.522 67 V N 2.904 122.876 119.914 0.097 0.000 2.508 67 V HA 0.421 4.542 4.120 0.002 0.000 0.281 67 V C -1.482 174.834 176.094 0.370 0.000 1.041 67 V CA -1.069 61.355 62.300 0.206 0.000 1.016 67 V CB 1.261 33.214 31.823 0.217 0.000 0.984 67 V HN 0.162 nan 8.190 nan 0.000 0.478 68 P HA 0.418 nan 4.420 nan 0.000 0.277 68 P C -1.353 176.176 177.300 0.382 0.000 1.240 68 P CA -0.156 63.130 63.100 0.311 0.000 0.798 68 P CB 0.522 32.340 31.700 0.197 0.000 0.979 69 Y N -0.111 120.276 120.300 0.145 0.000 2.597 69 Y HA 0.734 5.285 4.550 0.002 0.000 0.340 69 Y C -2.206 173.723 175.900 0.049 0.000 1.097 69 Y CA -1.402 56.728 58.100 0.050 0.000 1.037 69 Y CB 0.907 39.301 38.460 -0.110 0.000 1.305 69 Y HN 0.099 nan 8.280 nan 0.000 0.463 70 L N 3.255 124.437 121.223 -0.068 0.000 2.342 70 L HA 0.621 4.962 4.340 0.002 0.000 0.271 70 L C -1.311 175.530 176.870 -0.048 0.000 1.008 70 L CA -1.170 53.562 54.840 -0.180 0.000 0.818 70 L CB 2.030 44.048 42.059 -0.068 0.000 1.296 70 L HN 0.710 nan 8.230 nan 0.000 0.427 71 L N 2.755 123.901 121.223 -0.129 0.000 2.346 71 L HA 0.435 4.776 4.340 0.002 0.000 0.276 71 L C -0.195 176.684 176.870 0.015 0.000 1.006 71 L CA -0.247 54.595 54.840 0.002 0.000 0.817 71 L CB 1.571 43.566 42.059 -0.107 0.000 1.272 71 L HN 0.439 nan 8.230 nan 0.000 0.421 72 K N 2.259 122.775 120.400 0.193 0.000 2.326 72 K HA 0.043 4.365 4.320 0.002 0.000 0.275 72 K C -0.362 176.247 176.600 0.015 0.000 1.018 72 K CA -0.154 56.194 56.287 0.102 0.000 0.962 72 K CB 0.638 33.243 32.500 0.176 0.000 0.953 72 K HN 0.639 nan 8.250 nan 0.000 0.475 73 D N 4.456 124.827 120.400 -0.049 0.000 2.934 73 D HA 0.161 4.802 4.640 0.002 0.000 0.237 73 D C -1.436 174.866 176.300 0.003 0.000 1.158 73 D CA -0.135 53.833 54.000 -0.054 0.000 0.971 73 D CB -0.378 40.354 40.800 -0.113 0.000 1.123 73 D HN 0.281 nan 8.370 nan 0.000 0.467 74 L N 0.300 121.540 121.223 0.029 0.000 2.545 74 L HA 0.330 4.671 4.340 0.002 0.000 0.258 74 L C 0.775 177.682 176.870 0.061 0.000 0.942 74 L CA 0.009 54.879 54.840 0.050 0.000 0.855 74 L CB 1.519 43.610 42.059 0.053 0.000 1.374 74 L HN 0.247 nan 8.230 nan 0.000 0.411 75 T N 0.411 114.998 114.554 0.054 0.000 13.563 75 T HA -0.236 4.116 4.350 0.002 0.000 0.419 75 T C 0.376 175.090 174.700 0.023 0.000 1.442 75 T CA 2.056 64.188 62.100 0.054 0.000 2.352 75 T CB -1.858 67.057 68.868 0.079 0.000 2.791 75 T HN 1.477 nan 8.240 nan 0.000 0.525 76 V N 2.468 122.366 119.914 -0.026 0.000 2.732 76 V HA 0.771 4.892 4.120 0.002 0.000 0.297 76 V C 0.418 176.445 176.094 -0.110 0.000 1.060 76 V CA -0.414 61.830 62.300 -0.094 0.000 1.038 76 V CB 1.312 32.981 31.823 -0.256 0.000 1.003 76 V HN 1.119 nan 8.190 nan 0.000 0.481 77 V N 1.255 121.089 119.914 -0.133 0.000 3.102 77 V HA 0.956 5.078 4.120 0.002 0.000 0.312 77 V C -0.096 175.885 176.094 -0.187 0.000 1.135 77 V CA -0.119 62.079 62.300 -0.169 0.000 1.022 77 V CB 1.673 33.367 31.823 -0.215 0.000 1.056 77 V HN 1.373 nan 8.190 nan 0.000 0.436 78 S N 0.924 116.525 115.700 -0.165 0.000 2.473 78 S HA 0.516 4.987 4.470 0.002 0.000 0.307 78 S C -0.430 174.082 174.600 -0.146 0.000 1.094 78 S CA -0.613 57.513 58.200 -0.124 0.000 1.070 78 S CB 1.489 64.637 63.200 -0.086 0.000 1.019 78 S HN 1.092 nan 8.310 nan 0.000 0.480 79 Q N 1.303 121.034 119.800 -0.116 0.000 2.269 79 Q HA 0.338 4.679 4.340 0.002 0.000 0.300 79 Q C 1.380 177.330 176.000 -0.085 0.000 1.070 79 Q CA 1.496 57.243 55.803 -0.093 0.000 0.957 79 Q CB -0.295 28.423 28.738 -0.033 0.000 1.131 79 Q HN 1.519 nan 8.270 nan 0.000 0.377 80 G N 3.539 112.278 108.800 -0.102 0.000 2.189 80 G HA2 -0.229 3.732 3.960 0.002 0.000 0.267 80 G HA3 -0.229 3.732 3.960 0.002 0.000 0.267 80 G C -0.460 174.371 174.900 -0.115 0.000 0.975 80 G CA 0.340 45.382 45.100 -0.097 0.000 0.644 80 G HN 0.716 nan 8.290 nan 0.000 0.537 81 D N 0.249 120.567 120.400 -0.137 0.000 2.217 81 D HA 0.493 5.134 4.640 0.002 0.000 0.248 81 D C 1.100 177.307 176.300 -0.155 0.000 1.008 81 D CA -0.739 53.183 54.000 -0.129 0.000 0.914 81 D CB 1.010 41.738 40.800 -0.119 0.000 1.182 81 D HN -0.002 nan 8.370 nan 0.000 0.451 82 I N 1.620 122.127 120.570 -0.105 0.000 2.775 82 I HA -0.080 4.091 4.170 0.002 0.000 0.290 82 I C 0.843 176.935 176.117 -0.041 0.000 1.203 82 I CA 0.829 62.092 61.300 -0.061 0.000 1.433 82 I CB -0.497 37.520 38.000 0.030 0.000 1.354 82 I HN 0.318 nan 8.210 nan 0.000 0.579 83 N N 4.145 122.849 118.700 0.007 0.000 2.549 83 N HA 0.182 4.923 4.740 0.002 0.000 0.281 83 N C 0.475 176.123 175.510 0.230 0.000 1.084 83 N CA -0.118 52.991 53.050 0.099 0.000 0.862 83 N CB 1.277 39.829 38.487 0.108 0.000 1.333 83 N HN 0.722 nan 8.380 nan 0.000 0.523 84 T N -1.275 113.409 114.554 0.216 0.000 3.018 84 T HA 0.100 4.451 4.350 0.002 0.000 0.246 84 T C 0.823 175.640 174.700 0.194 0.000 1.026 84 T CA 0.383 62.634 62.100 0.250 0.000 1.081 84 T CB -0.095 69.020 68.868 0.412 0.000 0.970 84 T HN 0.362 nan 8.240 nan 0.000 0.475 85 S N 0.668 116.462 115.700 0.158 0.000 3.445 85 S HA -0.198 4.273 4.470 0.002 0.000 0.319 85 S C 0.694 175.375 174.600 0.134 0.000 1.209 85 S CA 0.740 59.006 58.200 0.111 0.000 0.934 85 S CB -2.340 60.912 63.200 0.086 0.000 0.999 85 S HN 0.929 nan 8.310 nan 0.000 0.582 86 S N -0.857 114.983 115.700 0.233 0.000 3.587 86 S HA -0.211 4.260 4.470 0.002 0.000 0.337 86 S C 0.120 174.810 174.600 0.150 0.000 1.119 86 S CA 1.155 59.527 58.200 0.287 0.000 0.976 86 S CB -1.190 62.152 63.200 0.237 0.000 0.922 86 S HN 0.737 nan 8.310 nan 0.000 0.503 87 I N 1.137 121.775 120.570 0.115 0.000 2.321 87 I HA 0.212 4.384 4.170 0.002 0.000 0.291 87 I C 1.273 177.401 176.117 0.018 0.000 0.998 87 I CA -0.540 60.794 61.300 0.056 0.000 1.227 87 I CB 1.307 39.338 38.000 0.051 0.000 1.368 87 I HN 0.106 nan 8.210 nan 0.000 0.466 88 K N 4.968 125.359 120.400 -0.015 0.000 2.001 88 K HA -0.199 4.122 4.320 0.002 0.000 0.214 88 K C 1.870 178.439 176.600 -0.051 0.000 1.050 88 K CA 2.140 58.390 56.287 -0.062 0.000 0.934 88 K CB -0.317 32.150 32.500 -0.056 0.000 0.718 88 K HN 0.903 nan 8.250 nan 0.000 0.443 89 G N 0.653 109.436 108.800 -0.029 0.000 2.485 89 G HA2 -0.231 3.730 3.960 0.002 0.000 0.221 89 G HA3 -0.231 3.730 3.960 0.002 0.000 0.221 89 G C 1.362 176.256 174.900 -0.010 0.000 1.115 89 G CA 0.831 45.916 45.100 -0.024 0.000 0.751 89 G HN 0.230 nan 8.290 nan 0.000 0.567 90 M N -0.087 119.518 119.600 0.009 0.000 2.394 90 M HA 0.169 4.650 4.480 0.002 0.000 0.266 90 M C 2.250 178.587 176.300 0.061 0.000 1.098 90 M CA 0.771 56.097 55.300 0.044 0.000 1.149 90 M CB -0.649 31.993 32.600 0.069 0.000 1.369 90 M HN 0.270 nan 8.290 nan 0.000 0.450 91 K N 0.984 121.392 120.400 0.013 0.000 2.057 91 K HA -0.167 4.154 4.320 0.002 0.000 0.207 91 K C 1.640 178.207 176.600 -0.055 0.000 1.049 91 K CA 1.496 57.760 56.287 -0.038 0.000 0.931 91 K CB 0.117 32.475 32.500 -0.236 0.000 0.714 91 K HN 0.350 nan 8.250 nan 0.000 0.440 92 E N 0.215 120.378 120.200 -0.062 0.000 2.150 92 E HA -0.140 4.211 4.350 0.002 0.000 0.193 92 E C 1.952 178.545 176.600 -0.012 0.000 0.985 92 E CA 1.356 57.725 56.400 -0.052 0.000 0.814 92 E CB 0.002 29.669 29.700 -0.056 0.000 0.752 92 E HN 0.421 nan 8.360 nan 0.000 0.466 93 S N -0.091 115.619 115.700 0.016 0.000 2.442 93 S HA -0.056 4.415 4.470 0.002 0.000 0.236 93 S C 1.837 176.479 174.600 0.071 0.000 1.007 93 S CA 0.764 58.991 58.200 0.045 0.000 0.965 93 S CB -0.334 62.905 63.200 0.065 0.000 0.773 93 S HN 0.406 nan 8.310 nan 0.000 0.504 94 G N 0.132 108.974 108.800 0.070 0.000 2.168 94 G HA2 -0.356 3.606 3.960 0.002 0.000 0.257 94 G HA3 -0.356 3.606 3.960 0.002 0.000 0.257 94 G C -0.065 174.886 174.900 0.085 0.000 0.997 94 G CA 0.331 45.468 45.100 0.062 0.000 0.708 94 G HN 0.862 nan 8.290 nan 0.000 0.520 95 Y N 1.390 121.700 120.300 0.016 0.000 2.805 95 Y HA 0.392 4.944 4.550 0.003 0.000 0.337 95 Y C 0.810 176.720 175.900 0.018 0.000 1.252 95 Y CA 0.211 58.321 58.100 0.017 0.000 1.515 95 Y CB 0.412 38.884 38.460 0.020 0.000 1.305 95 Y HN 0.373 nan 8.280 nan 0.000 0.600 96 R N 4.148 124.131 120.500 -0.861 0.000 2.628 96 R HA 0.699 5.041 4.340 0.002 0.000 0.288 96 R C -0.764 174.941 176.300 -0.991 0.000 0.980 96 R CA -0.879 54.790 56.100 -0.718 0.000 0.891 96 R CB 1.654 31.766 30.300 -0.313 0.000 1.188 96 R HN 0.834 nan 8.270 nan 0.000 0.450 97 A N 1.143 123.571 122.820 -0.653 0.000 2.425 97 A HA 0.046 4.367 4.320 0.002 0.000 0.242 97 A C 0.236 177.704 177.584 -0.194 0.000 1.077 97 A CA -0.078 51.740 52.037 -0.365 0.000 0.781 97 A CB 0.111 18.953 19.000 -0.263 0.000 1.020 97 A HN 0.898 nan 8.150 nan 0.000 0.494 98 D N -0.852 119.537 120.400 -0.018 0.000 2.369 98 D HA 0.106 4.747 4.640 0.002 0.000 0.211 98 D C 0.476 176.849 176.300 0.121 0.000 1.077 98 D CA 0.808 54.843 54.000 0.057 0.000 0.842 98 D CB 0.029 40.901 40.800 0.120 0.000 0.947 98 D HN 0.689 nan 8.370 nan 0.000 0.509 99 H N -2.156 116.898 119.070 -0.025 0.000 2.960 99 H HA 0.504 5.061 4.556 0.002 0.000 0.323 99 H C -1.557 173.754 175.328 -0.028 0.000 1.326 99 H CA -0.869 55.164 56.048 -0.025 0.000 1.124 99 H CB 0.546 30.289 29.762 -0.033 0.000 1.853 99 H HN -0.252 nan 8.280 nan 0.000 0.536 100 D N 0.321 120.718 120.400 -0.005 0.000 2.168 100 D HA 0.495 5.136 4.640 0.002 0.000 0.246 100 D C 0.111 176.424 176.300 0.023 0.000 1.050 100 D CA -0.281 53.695 54.000 -0.039 0.000 0.857 100 D CB 2.091 42.916 40.800 0.042 0.000 1.169 100 D HN 0.725 nan 8.370 nan 0.000 0.453 101 A N 2.298 125.103 122.820 -0.025 0.000 2.332 101 A HA 0.152 4.474 4.320 0.002 0.000 0.258 101 A C 0.772 178.409 177.584 0.088 0.000 1.087 101 A CA -0.130 51.910 52.037 0.005 0.000 0.802 101 A CB 0.123 19.137 19.000 0.023 0.000 1.042 101 A HN 0.724 nan 8.150 nan 0.000 0.489 102 Y N 0.127 120.509 120.300 0.137 0.000 2.151 102 Y HA -0.284 4.267 4.550 0.002 0.000 0.284 102 Y C 1.977 177.939 175.900 0.104 0.000 1.166 102 Y CA 1.943 60.103 58.100 0.101 0.000 1.163 102 Y CB -0.349 38.159 38.460 0.080 0.000 0.974 102 Y HN 0.842 nan 8.280 nan 0.000 0.511 103 F N 0.175 120.221 119.950 0.159 0.000 2.091 103 F HA -0.288 4.240 4.527 0.002 0.000 0.299 103 F C 2.182 177.997 175.800 0.025 0.000 1.103 103 F CA 1.572 59.612 58.000 0.066 0.000 1.228 103 F CB -0.612 38.400 39.000 0.020 0.000 0.984 103 F HN -0.229 nan 8.300 nan 0.000 0.477 104 V N 0.420 120.498 119.914 0.273 0.000 2.343 104 V HA -0.336 3.785 4.120 0.002 0.000 0.247 104 V C 2.249 178.402 176.094 0.099 0.000 1.051 104 V CA 2.296 64.716 62.300 0.200 0.000 1.036 104 V CB -0.845 31.080 31.823 0.170 0.000 0.654 104 V HN 0.435 nan 8.190 nan 0.000 0.451 105 Q N -0.683 119.179 119.800 0.103 0.000 2.084 105 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 105 Q C 2.556 178.580 176.000 0.039 0.000 0.978 105 Q CA 1.105 56.963 55.803 0.091 0.000 0.844 105 Q CB -0.247 28.574 28.738 0.139 0.000 0.898 105 Q HN 0.453 nan 8.270 nan 0.000 0.426 106 R N 0.239 120.731 120.500 -0.014 0.000 2.081 106 R HA -0.051 4.290 4.340 0.002 0.000 0.235 106 R C 2.112 178.347 176.300 -0.108 0.000 1.131 106 R CA 1.133 57.187 56.100 -0.077 0.000 0.960 106 R CB -0.398 29.811 30.300 -0.151 0.000 0.856 106 R HN 0.351 nan 8.270 nan 0.000 0.436 107 M N -0.161 119.304 119.600 -0.225 0.000 2.132 107 M HA -0.115 4.366 4.480 0.002 0.000 0.263 107 M C 2.225 178.575 176.300 0.084 0.000 1.065 107 M CA 1.359 56.534 55.300 -0.207 0.000 1.122 107 M CB -0.821 31.388 32.600 -0.652 0.000 1.365 107 M HN 0.083 nan 8.290 nan 0.000 0.411 108 R N 0.194 120.748 120.500 0.091 0.000 2.081 108 R HA -0.070 4.271 4.340 0.002 0.000 0.235 108 R C 2.097 178.456 176.300 0.098 0.000 1.131 108 R CA 1.554 57.737 56.100 0.139 0.000 0.960 108 R CB -0.166 30.210 30.300 0.126 0.000 0.856 108 R HN 0.319 nan 8.270 nan 0.000 0.436 109 A N 0.339 123.200 122.820 0.068 0.000 2.015 109 A HA -0.030 4.291 4.320 0.002 0.000 0.219 109 A C 2.158 179.773 177.584 0.051 0.000 1.163 109 A CA 1.452 53.520 52.037 0.051 0.000 0.646 109 A CB -0.448 18.574 19.000 0.037 0.000 0.806 109 A HN 0.512 nan 8.150 nan 0.000 0.448 110 A N -2.121 120.746 122.820 0.079 0.000 2.119 110 A HA 0.399 4.720 4.320 0.002 0.000 0.216 110 A C 1.816 179.405 177.584 0.009 0.000 1.152 110 A CA 1.427 53.518 52.037 0.090 0.000 0.708 110 A CB -0.542 18.583 19.000 0.208 0.000 0.805 110 A HN 1.750 nan 8.150 nan 0.000 0.460 111 G N -2.596 106.214 108.800 0.017 0.000 2.192 111 G HA2 -0.162 3.799 3.960 0.002 0.000 0.193 111 G HA3 -0.162 3.799 3.960 0.002 0.000 0.193 111 G C -0.004 174.878 174.900 -0.030 0.000 0.999 111 G CA -0.158 44.921 45.100 -0.035 0.000 0.659 111 G HN 0.244 nan 8.290 nan 0.000 0.503 112 F N 0.940 120.953 119.950 0.106 0.000 2.450 112 F HA 0.516 5.044 4.527 0.002 0.000 0.339 112 F C 1.054 176.986 175.800 0.219 0.000 1.146 112 F CA 0.062 58.147 58.000 0.141 0.000 1.267 112 F CB 1.484 40.474 39.000 -0.016 0.000 1.178 112 F HN 0.332 nan 8.300 nan 0.000 0.585 113 V N 2.544 122.745 119.914 0.478 0.000 2.448 113 V HA 0.504 4.625 4.120 0.002 0.000 0.295 113 V C -0.782 175.467 176.094 0.258 0.000 1.025 113 V CA -1.195 61.293 62.300 0.314 0.000 0.859 113 V CB 1.396 33.337 31.823 0.196 0.000 0.988 113 V HN 0.612 nan 8.190 nan 0.000 0.431 114 L N 5.133 126.431 121.223 0.126 0.000 2.515 114 L HA 0.292 4.633 4.340 0.002 0.000 0.281 114 L C 0.795 177.580 176.870 -0.141 0.000 1.131 114 L CA 0.329 55.050 54.840 -0.199 0.000 0.905 114 L CB 0.523 42.508 42.059 -0.124 0.000 1.246 114 L HN 0.890 nan 8.230 nan 0.000 0.463 115 L N 4.709 125.826 121.223 -0.176 0.000 2.270 115 L HA 0.491 4.832 4.340 0.002 0.000 0.210 115 L C 0.914 177.705 176.870 -0.133 0.000 1.104 115 L CA 1.279 56.095 54.840 -0.040 0.000 0.804 115 L CB -0.402 41.684 42.059 0.045 0.000 0.937 115 L HN 0.789 nan 8.230 nan 0.000 0.450 116 G N -1.424 107.240 108.800 -0.226 0.000 2.324 116 G HA2 0.170 4.131 3.960 0.002 0.000 0.293 116 G HA3 0.170 4.131 3.960 0.002 0.000 0.293 116 G C -1.547 173.206 174.900 -0.244 0.000 1.297 116 G CA -0.916 44.032 45.100 -0.253 0.000 0.853 116 G HN -0.069 nan 8.290 nan 0.000 0.535 117 K N 0.065 120.319 120.400 -0.244 0.000 2.203 117 K HA 0.706 5.027 4.320 0.002 0.000 0.251 117 K C -0.175 176.277 176.600 -0.246 0.000 0.944 117 K CA -0.611 55.541 56.287 -0.226 0.000 0.829 117 K CB 1.989 34.352 32.500 -0.228 0.000 1.125 117 K HN 0.760 nan 8.250 nan 0.000 0.430 118 T N -1.120 113.315 114.554 -0.198 0.000 2.925 118 T HA 0.237 4.588 4.350 0.002 0.000 0.285 118 T C 0.113 174.673 174.700 -0.233 0.000 1.021 118 T CA -0.937 61.042 62.100 -0.201 0.000 1.042 118 T CB 1.201 69.985 68.868 -0.140 0.000 1.037 118 T HN 0.411 nan 8.240 nan 0.000 0.481 119 N N 0.472 119.028 118.700 -0.241 0.000 2.453 119 N HA 0.432 5.173 4.740 0.002 0.000 0.253 119 N C -0.467 174.976 175.510 -0.111 0.000 1.252 119 N CA 0.262 53.178 53.050 -0.225 0.000 0.917 119 N CB 0.887 39.275 38.487 -0.166 0.000 1.117 119 N HN 0.935 nan 8.380 nan 0.000 0.442 120 T N 1.194 115.710 114.554 -0.063 0.000 2.853 120 T HA 0.498 4.849 4.350 0.002 0.000 0.311 120 T C -3.078 171.638 174.700 0.027 0.000 1.307 120 T CA -1.425 60.668 62.100 -0.012 0.000 1.019 120 T CB 1.429 70.295 68.868 -0.004 0.000 1.264 120 T HN 0.320 nan 8.240 nan 0.000 0.497 121 P HA 0.194 nan 4.420 nan 0.000 0.274 121 P C -0.514 176.803 177.300 0.028 0.000 1.246 121 P CA -0.271 62.843 63.100 0.023 0.000 0.795 121 P CB 0.329 32.026 31.700 -0.004 0.000 1.006 122 E N 2.175 122.391 120.200 0.026 0.000 2.606 122 E HA -0.070 4.282 4.350 0.002 0.000 0.248 122 E C 0.392 176.995 176.600 0.006 0.000 1.005 122 E CA 0.346 56.763 56.400 0.028 0.000 0.946 122 E CB -0.487 29.221 29.700 0.012 0.000 0.928 122 E HN 0.362 nan 8.360 nan 0.000 0.494 123 M N 3.314 122.928 119.600 0.024 0.000 2.762 123 M HA -0.305 4.176 4.480 0.002 0.000 0.190 123 M C 0.877 177.178 176.300 0.002 0.000 0.586 123 M CA 0.895 56.203 55.300 0.013 0.000 0.620 123 M CB -2.070 30.530 32.600 -0.001 0.000 2.269 123 M HN 0.908 nan 8.290 nan 0.000 0.563 124 G N 0.798 109.600 108.800 0.004 0.000 2.198 124 G HA2 -0.323 3.638 3.960 0.002 0.000 0.260 124 G HA3 -0.323 3.638 3.960 0.002 0.000 0.260 124 G C 0.200 175.085 174.900 -0.025 0.000 1.025 124 G CA 0.577 45.677 45.100 0.001 0.000 0.769 124 G HN 0.782 nan 8.290 nan 0.000 0.507 125 N N -0.417 118.250 118.700 -0.055 0.000 2.362 125 N HA 0.064 4.805 4.740 0.002 0.000 0.211 125 N C 0.005 175.439 175.510 -0.126 0.000 1.170 125 N CA 0.297 53.282 53.050 -0.109 0.000 0.828 125 N CB -0.034 38.370 38.487 -0.138 0.000 1.034 125 N HN 0.441 nan 8.380 nan 0.000 0.475 126 Q N -0.497 119.258 119.800 -0.076 0.000 2.511 126 Q HA 0.165 4.507 4.340 0.002 0.000 0.289 126 Q C 0.193 176.179 176.000 -0.023 0.000 1.021 126 Q CA -0.538 55.224 55.803 -0.067 0.000 0.785 126 Q CB 1.926 30.628 28.738 -0.059 0.000 1.472 126 Q HN 0.025 nan 8.270 nan 0.000 0.411 127 V N -2.615 117.291 119.914 -0.012 0.000 3.249 127 V HA 0.399 4.520 4.120 0.002 0.000 0.338 127 V C 0.323 176.418 176.094 0.003 0.000 1.363 127 V CA 0.074 62.380 62.300 0.010 0.000 1.205 127 V CB 0.511 32.348 31.823 0.024 0.000 1.164 127 V HN 0.618 nan 8.190 nan 0.000 0.458 128 T N -0.110 114.443 114.554 -0.003 0.000 2.883 128 T HA 0.535 4.886 4.350 0.002 0.000 0.296 128 T C -0.433 174.269 174.700 0.003 0.000 1.117 128 T CA -0.030 62.070 62.100 0.000 0.000 1.006 128 T CB 2.257 71.124 68.868 -0.002 0.000 1.191 128 T HN 0.284 nan 8.240 nan 0.000 0.508 129 T N 3.501 118.060 114.554 0.007 0.000 3.332 129 T HA 0.408 4.759 4.350 0.002 0.000 0.385 129 T C -0.491 174.223 174.700 0.023 0.000 1.695 129 T CA -0.383 61.723 62.100 0.011 0.000 1.397 129 T CB -0.032 68.835 68.868 -0.001 0.000 1.100 129 T HN 0.596 nan 8.240 nan 0.000 0.669 130 E N 3.079 123.297 120.200 0.029 0.000 3.935 130 E HA 0.182 4.533 4.350 0.002 0.000 0.226 130 E C -2.577 174.054 176.600 0.051 0.000 1.220 130 E CA -1.635 54.790 56.400 0.042 0.000 1.226 130 E CB 1.206 30.925 29.700 0.033 0.000 1.237 130 E HN 0.375 nan 8.360 nan 0.000 0.417 131 P HA 0.042 nan 4.420 nan 0.000 0.275 131 P C 0.183 177.530 177.300 0.078 0.000 1.228 131 P CA 0.041 63.192 63.100 0.084 0.000 0.786 131 P CB 1.476 33.264 31.700 0.145 0.000 0.927 132 E N 1.584 121.814 120.200 0.050 0.000 2.106 132 E HA -0.143 4.209 4.350 0.002 0.000 0.192 132 E C 2.055 178.649 176.600 -0.011 0.000 0.984 132 E CA 1.423 57.839 56.400 0.027 0.000 0.806 132 E CB -0.305 29.410 29.700 0.024 0.000 0.750 132 E HN 0.545 nan 8.360 nan 0.000 0.458 133 A N 0.292 123.098 122.820 -0.024 0.000 1.902 133 A HA -0.164 4.158 4.320 0.002 0.000 0.217 133 A C 1.351 178.744 177.584 -0.318 0.000 1.181 133 A CA 1.276 53.204 52.037 -0.181 0.000 0.623 133 A CB -0.590 18.310 19.000 -0.168 0.000 0.818 133 A HN 0.386 nan 8.150 nan 0.000 0.443 134 W N -1.652 119.646 121.300 -0.004 0.000 2.998 134 W HA 0.449 5.110 4.660 0.002 0.000 0.336 134 W C 1.063 177.579 176.519 -0.006 0.000 1.112 134 W CA 0.653 57.993 57.345 -0.007 0.000 1.682 134 W CB 0.269 29.722 29.460 -0.012 0.000 1.065 134 W HN 0.686 nan 8.180 nan 0.000 0.570 135 G N 1.069 109.975 108.800 0.177 0.000 2.707 135 G HA2 0.170 4.131 3.960 0.002 0.000 0.686 135 G HA3 0.170 4.131 3.960 0.002 0.000 0.686 135 G C -0.317 174.647 174.900 0.107 0.000 1.315 135 G CA -0.886 44.282 45.100 0.113 0.000 0.832 135 G HN 0.455 nan 8.290 nan 0.000 0.573 136 A N 0.059 122.920 122.820 0.069 0.000 2.407 136 A HA 0.733 5.054 4.320 0.002 0.000 0.248 136 A C 0.846 178.455 177.584 0.042 0.000 1.082 136 A CA 1.087 53.155 52.037 0.051 0.000 0.785 136 A CB 0.425 19.448 19.000 0.038 0.000 1.020 136 A HN 1.571 nan 8.150 nan 0.000 0.489 137 T N 2.788 117.358 114.554 0.027 0.000 2.799 137 T HA 0.454 4.805 4.350 0.002 0.000 0.286 137 T C 0.229 174.937 174.700 0.014 0.000 0.973 137 T CA -0.140 61.966 62.100 0.010 0.000 1.035 137 T CB 0.472 69.333 68.868 -0.012 0.000 0.932 137 T HN 0.658 nan 8.240 nan 0.000 0.469 138 R N 2.435 122.944 120.500 0.015 0.000 2.668 138 R HA 0.378 4.719 4.340 0.002 0.000 0.279 138 R C 0.128 176.449 176.300 0.035 0.000 0.976 138 R CA -0.990 55.124 56.100 0.024 0.000 0.978 138 R CB 0.820 31.133 30.300 0.021 0.000 1.133 138 R HN 0.444 nan 8.270 nan 0.000 0.484 139 N N 2.375 121.111 118.700 0.059 0.000 2.442 139 N HA 0.051 4.793 4.740 0.002 0.000 0.265 139 N C -1.908 173.668 175.510 0.109 0.000 1.138 139 N CA -1.601 51.515 53.050 0.110 0.000 0.956 139 N CB 1.338 39.908 38.487 0.139 0.000 1.067 139 N HN 0.268 nan 8.380 nan 0.000 0.474 140 P HA -0.051 nan 4.420 nan 0.000 0.219 140 P C 0.500 177.740 177.300 -0.100 0.000 1.146 140 P CA 1.180 64.255 63.100 -0.041 0.000 0.808 140 P CB 0.061 31.697 31.700 -0.107 0.000 0.779 141 W N -1.355 119.954 121.300 0.016 0.000 2.658 141 W HA 0.123 4.785 4.660 0.003 0.000 0.263 141 W C 0.711 177.234 176.519 0.007 0.000 1.274 141 W CA 0.532 57.886 57.345 0.014 0.000 1.343 141 W CB -0.174 29.298 29.460 0.020 0.000 1.106 141 W HN -0.103 nan 8.180 nan 0.000 0.615 142 N N -0.112 118.709 118.700 0.201 0.000 2.976 142 N HA 0.033 4.774 4.740 0.002 0.000 0.249 142 N C 0.094 175.651 175.510 0.079 0.000 1.258 142 N CA -0.122 52.997 53.050 0.116 0.000 0.864 142 N CB 0.489 39.045 38.487 0.114 0.000 1.551 142 N HN -0.058 nan 8.380 nan 0.000 0.607 143 L N 1.134 122.386 121.223 0.048 0.000 2.349 143 L HA -0.025 4.316 4.340 0.002 0.000 0.220 143 L C 1.999 178.888 176.870 0.031 0.000 1.130 143 L CA 1.633 56.493 54.840 0.033 0.000 0.791 143 L CB -0.052 42.017 42.059 0.017 0.000 0.918 143 L HN 0.557 nan 8.230 nan 0.000 0.444 144 G N -0.830 107.990 108.800 0.033 0.000 3.042 144 G HA2 0.042 4.003 3.960 0.002 0.000 0.212 144 G HA3 0.042 4.003 3.960 0.002 0.000 0.212 144 G C 0.755 175.671 174.900 0.027 0.000 1.166 144 G CA -0.284 44.832 45.100 0.026 0.000 0.767 144 G HN 0.024 nan 8.290 nan 0.000 0.546 145 R N 0.329 120.851 120.500 0.037 0.000 2.668 145 R HA 0.491 4.832 4.340 0.002 0.000 0.279 145 R C 0.028 176.348 176.300 0.032 0.000 0.976 145 R CA -0.555 55.564 56.100 0.033 0.000 0.978 145 R CB 1.232 31.556 30.300 0.041 0.000 1.133 145 R HN 0.092 nan 8.270 nan 0.000 0.484 146 S N -0.215 115.497 115.700 0.020 0.000 2.596 146 S HA 0.080 4.551 4.470 0.002 0.000 0.260 146 S C 0.984 175.598 174.600 0.023 0.000 1.336 146 S CA -0.300 57.910 58.200 0.017 0.000 0.993 146 S CB 0.540 63.743 63.200 0.005 0.000 0.923 146 S HN 0.438 nan 8.310 nan 0.000 0.567 147 V N 0.139 120.064 119.914 0.019 0.000 3.276 147 V HA 0.637 4.758 4.120 0.002 0.000 0.319 147 V C 0.995 177.096 176.094 0.012 0.000 1.427 147 V CA 0.332 62.645 62.300 0.021 0.000 1.102 147 V CB -1.104 30.726 31.823 0.013 0.000 1.020 147 V HN 1.473 nan 8.190 nan 0.000 0.456 148 G N -0.244 108.561 108.800 0.008 0.000 2.741 148 G HA2 0.388 4.349 3.960 0.002 0.000 0.222 148 G HA3 0.388 4.349 3.960 0.002 0.000 0.222 148 G C 0.065 174.975 174.900 0.017 0.000 1.364 148 G CA -0.137 44.969 45.100 0.010 0.000 0.866 148 G HN 2.011 nan 8.290 nan 0.000 0.555 149 G N -2.773 106.044 108.800 0.028 0.000 2.506 149 G HA2 0.732 4.693 3.960 0.002 0.000 0.292 149 G HA3 0.732 4.693 3.960 0.002 0.000 0.292 149 G C 0.720 175.648 174.900 0.046 0.000 1.425 149 G CA 0.840 45.958 45.100 0.031 0.000 0.788 149 G HN 2.080 nan 8.290 nan 0.000 0.490 150 S N -1.177 114.550 115.700 0.044 0.000 2.527 150 S HA 0.073 4.544 4.470 0.002 0.000 0.222 150 S C 1.368 175.988 174.600 0.033 0.000 0.985 150 S CA 1.042 59.260 58.200 0.029 0.000 0.921 150 S CB 0.209 63.422 63.200 0.022 0.000 0.772 150 S HN 0.478 nan 8.310 nan 0.000 0.529 151 S N 1.887 117.629 115.700 0.069 0.000 2.871 151 S HA 0.327 4.798 4.470 0.002 0.000 0.254 151 S C 1.632 176.235 174.600 0.005 0.000 1.088 151 S CA 0.060 58.311 58.200 0.084 0.000 1.166 151 S CB -0.324 63.029 63.200 0.255 0.000 0.826 151 S HN 0.696 nan 8.310 nan 0.000 0.471 152 G N 2.103 110.893 108.800 -0.016 0.000 2.442 152 G HA2 -0.136 3.826 3.960 0.002 0.000 0.219 152 G HA3 -0.136 3.826 3.960 0.002 0.000 0.219 152 G C 1.373 176.205 174.900 -0.114 0.000 1.141 152 G CA 0.698 45.767 45.100 -0.053 0.000 0.763 152 G HN 0.595 nan 8.290 nan 0.000 0.554 153 G N 0.462 109.193 108.800 -0.115 0.000 2.402 153 G HA2 -0.111 3.850 3.960 0.002 0.000 0.216 153 G HA3 -0.111 3.850 3.960 0.002 0.000 0.216 153 G C 2.111 176.891 174.900 -0.200 0.000 1.162 153 G CA 1.370 46.388 45.100 -0.137 0.000 0.777 153 G HN 0.423 nan 8.290 nan 0.000 0.539 154 S N 0.622 116.156 115.700 -0.276 0.000 2.368 154 S HA -0.014 4.457 4.470 0.002 0.000 0.224 154 S C 2.518 176.660 174.600 -0.763 0.000 1.029 154 S CA 1.092 59.036 58.200 -0.427 0.000 0.988 154 S CB -0.514 62.468 63.200 -0.363 0.000 0.838 154 S HN 0.512 nan 8.310 nan 0.000 0.462 155 G N 1.507 109.723 108.800 -0.974 0.000 2.421 155 G HA2 -0.102 3.859 3.960 0.002 0.000 0.216 155 G HA3 -0.102 3.859 3.960 0.002 0.000 0.216 155 G C 1.570 176.297 174.900 -0.290 0.000 1.171 155 G CA 0.955 45.572 45.100 -0.805 0.000 0.775 155 G HN 0.570 nan 8.290 nan 0.000 0.543 156 A N 1.126 123.841 122.820 -0.175 0.000 1.902 156 A HA 0.288 4.609 4.320 0.002 0.000 0.217 156 A C 2.830 180.391 177.584 -0.038 0.000 1.181 156 A CA 2.224 54.233 52.037 -0.046 0.000 0.623 156 A CB -0.816 18.164 19.000 -0.034 0.000 0.818 156 A HN 0.807 nan 8.150 nan 0.000 0.443 157 A N -0.453 122.313 122.820 -0.091 0.000 1.883 157 A HA -0.070 4.252 4.320 0.002 0.000 0.217 157 A C 2.225 179.814 177.584 0.008 0.000 1.186 157 A CA 2.004 54.014 52.037 -0.044 0.000 0.624 157 A CB -1.037 17.920 19.000 -0.072 0.000 0.822 157 A HN 0.443 nan 8.150 nan 0.000 0.444 158 V N -0.255 119.637 119.914 -0.037 0.000 2.427 158 V HA -0.201 3.920 4.120 0.002 0.000 0.248 158 V C 2.989 179.144 176.094 0.101 0.000 1.051 158 V CA 1.781 64.094 62.300 0.022 0.000 1.048 158 V CB -1.173 30.646 31.823 -0.006 0.000 0.666 158 V HN 0.620 nan 8.190 nan 0.000 0.456 159 A N -0.123 122.773 122.820 0.127 0.000 2.015 159 A HA 0.054 4.375 4.320 0.002 0.000 0.219 159 A C 2.110 179.862 177.584 0.279 0.000 1.163 159 A CA 1.682 53.879 52.037 0.266 0.000 0.646 159 A CB -0.400 18.788 19.000 0.314 0.000 0.806 159 A HN 0.594 nan 8.150 nan 0.000 0.448 160 A N -1.991 120.941 122.820 0.187 0.000 2.379 160 A HA 0.557 4.879 4.320 0.002 0.000 0.236 160 A C 1.287 179.077 177.584 0.343 0.000 1.272 160 A CA 0.957 53.104 52.037 0.184 0.000 0.886 160 A CB -0.843 18.198 19.000 0.067 0.000 0.962 160 A HN 1.951 nan 8.150 nan 0.000 0.504 161 A N -1.044 121.986 122.820 0.350 0.000 2.860 161 A HA -0.181 4.141 4.320 0.002 0.000 0.267 161 A C 1.063 178.835 177.584 0.313 0.000 1.421 161 A CA 1.173 53.403 52.037 0.321 0.000 0.831 161 A CB -2.512 16.715 19.000 0.378 0.000 1.041 161 A HN 0.657 nan 8.150 nan 0.000 0.623 162 L N -1.256 120.114 121.223 0.245 0.000 2.478 162 L HA 0.124 4.465 4.340 0.002 0.000 0.223 162 L C 0.813 177.782 176.870 0.164 0.000 1.140 162 L CA 1.121 56.088 54.840 0.211 0.000 0.842 162 L CB -0.143 41.974 42.059 0.096 0.000 0.953 162 L HN 0.510 nan 8.230 nan 0.000 0.452 163 S N -2.093 113.691 115.700 0.141 0.000 2.580 163 S HA 0.228 4.699 4.470 0.002 0.000 0.281 163 S C -2.175 172.490 174.600 0.109 0.000 1.129 163 S CA -0.601 57.676 58.200 0.129 0.000 0.862 163 S CB 2.131 65.401 63.200 0.116 0.000 1.090 163 S HN -0.207 nan 8.310 nan 0.000 0.451 164 P HA 0.085 nan 4.420 nan 0.000 0.231 164 P C 0.212 177.558 177.300 0.077 0.000 1.168 164 P CA 0.647 63.794 63.100 0.077 0.000 0.779 164 P CB 0.008 31.771 31.700 0.105 0.000 0.844 165 V N -4.468 115.505 119.914 0.098 0.000 3.147 165 V HA 0.948 5.069 4.120 0.002 0.000 0.306 165 V C -1.442 174.733 176.094 0.135 0.000 1.209 165 V CA -1.261 61.086 62.300 0.079 0.000 1.023 165 V CB 1.637 33.431 31.823 -0.047 0.000 1.059 165 V HN 0.141 nan 8.190 nan 0.000 0.435 166 A N 1.258 124.197 122.820 0.199 0.000 2.610 166 A HA 0.808 5.129 4.320 0.002 0.000 0.291 166 A C -1.259 176.553 177.584 0.381 0.000 1.086 166 A CA -0.493 51.711 52.037 0.280 0.000 0.677 166 A CB 1.598 20.683 19.000 0.141 0.000 1.278 166 A HN 1.751 nan 8.150 nan 0.000 0.414 167 H N 0.376 119.604 119.070 0.263 0.000 2.544 167 H HA 0.803 5.360 4.556 0.002 0.000 0.342 167 H C -0.074 175.335 175.328 0.135 0.000 1.185 167 H CA 0.409 56.517 56.048 0.100 0.000 1.264 167 H CB 1.815 31.488 29.762 -0.148 0.000 1.607 167 H HN 1.383 nan 8.280 nan 0.000 0.550 168 G N 1.552 109.705 108.800 -1.078 0.000 2.495 168 G HA2 0.270 4.231 3.960 0.002 0.000 0.294 168 G HA3 0.270 4.231 3.960 0.002 0.000 0.294 168 G C -1.861 172.606 174.900 -0.721 0.000 1.397 168 G CA -0.980 43.753 45.100 -0.611 0.000 0.790 168 G HN 0.866 nan 8.290 nan 0.000 0.486 169 N N -0.448 118.073 118.700 -0.299 0.000 2.509 169 N HA 0.686 5.427 4.740 0.002 0.000 0.280 169 N C -1.864 173.598 175.510 -0.079 0.000 1.306 169 N CA -0.938 52.010 53.050 -0.170 0.000 0.782 169 N CB 2.916 41.371 38.487 -0.053 0.000 1.493 169 N HN 0.415 nan 8.380 nan 0.000 0.498 170 D N -1.195 119.189 120.400 -0.026 0.000 2.616 170 D HA 0.485 5.126 4.640 0.002 0.000 0.238 170 D C -0.829 175.517 176.300 0.078 0.000 1.354 170 D CA -0.530 53.464 54.000 -0.010 0.000 0.970 170 D CB 1.807 42.543 40.800 -0.106 0.000 1.369 170 D HN 0.651 nan 8.370 nan 0.000 0.585 171 A N 2.268 125.163 122.820 0.124 0.000 2.192 171 A HA 0.548 4.870 4.320 0.002 0.000 0.208 171 A C 1.100 178.833 177.584 0.249 0.000 1.220 171 A CA 0.852 53.022 52.037 0.222 0.000 0.900 171 A CB 0.594 19.743 19.000 0.249 0.000 0.937 171 A HN 0.530 nan 8.150 nan 0.000 0.487 172 A N -2.174 120.764 122.820 0.195 0.000 2.704 172 A HA 0.512 4.833 4.320 0.002 0.000 0.260 172 A C 1.065 178.719 177.584 0.117 0.000 1.144 172 A CA 0.923 53.077 52.037 0.195 0.000 0.985 172 A CB -0.042 19.186 19.000 0.380 0.000 1.256 172 A HN 1.721 nan 8.150 nan 0.000 0.598 173 G N -1.398 107.444 108.800 0.068 0.000 2.200 173 G HA2 0.190 4.152 3.960 0.002 0.000 0.145 173 G HA3 0.190 4.152 3.960 0.002 0.000 0.145 173 G C 1.050 175.965 174.900 0.026 0.000 1.021 173 G CA 0.644 45.767 45.100 0.038 0.000 0.720 173 G HN 1.381 nan 8.290 nan 0.000 0.494 174 A N -0.360 122.481 122.820 0.035 0.000 2.194 174 A HA 0.329 4.650 4.320 0.002 0.000 0.220 174 A C 2.279 179.888 177.584 0.042 0.000 1.162 174 A CA 2.481 54.542 52.037 0.041 0.000 0.674 174 A CB -0.073 18.953 19.000 0.042 0.000 0.789 174 A HN 1.058 nan 8.150 nan 0.000 0.470 175 V N -1.499 118.382 119.914 -0.055 0.000 2.806 175 V HA -0.031 4.090 4.120 0.002 0.000 0.239 175 V C 2.367 178.365 176.094 -0.159 0.000 1.113 175 V CA 1.142 63.319 62.300 -0.205 0.000 1.137 175 V CB -0.428 31.096 31.823 -0.499 0.000 0.865 175 V HN 0.485 nan 8.190 nan 0.000 0.482 176 R N 0.100 120.521 120.500 -0.131 0.000 2.081 176 R HA -0.064 4.277 4.340 0.002 0.000 0.235 176 R C 2.156 178.454 176.300 -0.003 0.000 1.131 176 R CA 1.683 57.733 56.100 -0.083 0.000 0.960 176 R CB -0.365 29.892 30.300 -0.072 0.000 0.856 176 R HN 0.428 nan 8.270 nan 0.000 0.436 177 I N 0.639 121.224 120.570 0.024 0.000 2.142 177 I HA -0.189 3.982 4.170 0.002 0.000 0.240 177 I C -0.842 175.309 176.117 0.056 0.000 1.078 177 I CA 1.226 62.545 61.300 0.032 0.000 1.343 177 I CB -1.019 37.002 38.000 0.034 0.000 1.046 177 I HN 0.055 nan 8.210 nan 0.000 0.405 178 P HA -0.153 nan 4.420 nan 0.000 0.218 178 P C 1.377 178.771 177.300 0.156 0.000 1.148 178 P CA 1.673 64.849 63.100 0.126 0.000 0.822 178 P CB -0.022 31.781 31.700 0.173 0.000 0.784 179 A N -0.648 122.334 122.820 0.270 0.000 1.873 179 A HA -0.180 4.141 4.320 0.002 0.000 0.215 179 A C 2.521 180.121 177.584 0.026 0.000 1.186 179 A CA 2.150 54.316 52.037 0.214 0.000 0.616 179 A CB -1.623 17.468 19.000 0.152 0.000 0.823 179 A HN 0.207 nan 8.150 nan 0.000 0.442 180 S N -0.537 115.154 115.700 -0.014 0.000 2.348 180 S HA -0.138 4.333 4.470 0.002 0.000 0.221 180 S C 1.892 176.430 174.600 -0.104 0.000 1.033 180 S CA 1.787 59.940 58.200 -0.078 0.000 1.010 180 S CB -0.511 62.653 63.200 -0.061 0.000 0.891 180 S HN 0.292 nan 8.310 nan 0.000 0.442 181 V N 0.587 120.463 119.914 -0.063 0.000 2.515 181 V HA -0.127 3.994 4.120 0.002 0.000 0.250 181 V C 2.122 178.162 176.094 -0.090 0.000 1.058 181 V CA 1.609 63.863 62.300 -0.077 0.000 1.064 181 V CB -0.685 31.120 31.823 -0.029 0.000 0.675 181 V HN 0.678 nan 8.190 nan 0.000 0.461 182 C N 0.289 119.574 119.300 -0.024 0.000 2.906 182 C HA 0.534 4.996 4.460 0.002 0.000 0.274 182 C C 1.748 176.819 174.990 0.134 0.000 1.257 182 C CA -0.128 58.948 59.018 0.096 0.000 1.695 182 C CB -0.868 26.954 27.740 0.136 0.000 1.958 182 C HN 0.777 nan 8.230 nan 0.000 0.619 183 G N 1.687 110.424 108.800 -0.104 0.000 2.246 183 G HA2 -0.125 3.836 3.960 0.002 0.000 0.273 183 G HA3 -0.125 3.836 3.960 0.002 0.000 0.273 183 G C -0.101 174.816 174.900 0.028 0.000 1.055 183 G CA 0.697 45.728 45.100 -0.114 0.000 0.851 183 G HN 1.095 nan 8.290 nan 0.000 0.500 184 V N -4.125 115.785 119.914 -0.006 0.000 3.158 184 V HA 0.896 5.018 4.120 0.002 0.000 0.311 184 V C 0.505 176.555 176.094 -0.072 0.000 1.181 184 V CA -1.205 61.101 62.300 0.010 0.000 1.054 184 V CB 2.037 33.942 31.823 0.136 0.000 1.085 184 V HN 0.609 nan 8.190 nan 0.000 0.446 185 V N 1.225 121.120 119.914 -0.031 0.000 2.461 185 V HA 0.740 4.862 4.120 0.002 0.000 0.275 185 V C 0.846 176.925 176.094 -0.025 0.000 1.047 185 V CA 0.739 62.997 62.300 -0.069 0.000 0.955 185 V CB 0.704 32.526 31.823 -0.001 0.000 0.988 185 V HN 1.290 nan 8.190 nan 0.000 0.471 186 G N 4.514 113.237 108.800 -0.129 0.000 2.683 186 G HA2 0.611 4.572 3.960 0.002 0.000 0.299 186 G HA3 0.611 4.572 3.960 0.002 0.000 0.299 186 G C -1.563 173.158 174.900 -0.298 0.000 1.432 186 G CA -0.477 44.431 45.100 -0.320 0.000 0.978 186 G HN 0.619 nan 8.290 nan 0.000 0.513 187 L N 1.702 122.727 121.223 -0.331 0.000 2.333 187 L HA 0.694 5.035 4.340 0.002 0.000 0.280 187 L C -0.103 176.602 176.870 -0.274 0.000 1.004 187 L CA -0.895 53.792 54.840 -0.256 0.000 0.820 187 L CB 1.723 43.662 42.059 -0.201 0.000 1.247 187 L HN 0.382 nan 8.230 nan 0.000 0.416 188 K N 7.831 128.081 120.400 -0.250 0.000 2.347 188 K HA 0.493 4.814 4.320 0.002 0.000 0.262 188 K C -2.565 173.895 176.600 -0.234 0.000 1.052 188 K CA -1.876 54.254 56.287 -0.261 0.000 0.946 188 K CB 1.094 33.404 32.500 -0.318 0.000 1.220 188 K HN 0.436 nan 8.250 nan 0.000 0.450 189 P HA 0.029 nan 4.420 nan 0.000 0.286 189 P C -0.412 176.822 177.300 -0.110 0.000 1.293 189 P CA -0.325 62.687 63.100 -0.146 0.000 0.770 189 P CB 0.312 31.948 31.700 -0.107 0.000 1.206 190 T N 0.606 115.062 114.554 -0.164 0.000 2.932 190 T HA 0.030 4.382 4.350 0.002 0.000 0.312 190 T C 0.782 175.422 174.700 -0.101 0.000 1.071 190 T CA -0.023 61.916 62.100 -0.269 0.000 1.128 190 T CB -0.102 68.491 68.868 -0.458 0.000 0.984 190 T HN 0.351 nan 8.240 nan 0.000 0.549 191 R N 1.355 121.800 120.500 -0.091 0.000 2.538 191 R HA 0.240 4.581 4.340 0.002 0.000 0.282 191 R C 1.280 177.550 176.300 -0.050 0.000 1.009 191 R CA 1.158 57.167 56.100 -0.152 0.000 1.063 191 R CB -0.461 29.710 30.300 -0.216 0.000 0.945 191 R HN 0.984 nan 8.270 nan 0.000 0.414 192 G N 3.369 112.179 108.800 0.018 0.000 2.159 192 G HA2 -0.316 3.646 3.960 0.002 0.000 0.256 192 G HA3 -0.316 3.646 3.960 0.002 0.000 0.256 192 G C 0.693 175.665 174.900 0.120 0.000 0.977 192 G CA 0.491 45.688 45.100 0.161 0.000 0.652 192 G HN 0.683 nan 8.290 nan 0.000 0.531 193 R N 0.219 120.759 120.500 0.067 0.000 2.062 193 R HA 0.354 4.695 4.340 0.002 0.000 0.226 193 R C 1.180 177.540 176.300 0.099 0.000 1.125 193 R CA 1.279 57.419 56.100 0.066 0.000 0.966 193 R CB -0.069 30.240 30.300 0.015 0.000 0.861 193 R HN 0.479 nan 8.270 nan 0.000 0.433 194 I N 0.998 121.636 120.570 0.114 0.000 2.378 194 I HA 0.207 4.378 4.170 0.002 0.000 0.291 194 I C -0.325 175.901 176.117 0.180 0.000 0.992 194 I CA -0.847 60.550 61.300 0.162 0.000 1.154 194 I CB 1.833 39.958 38.000 0.208 0.000 1.315 194 I HN 0.072 nan 8.210 nan 0.000 0.448 195 S N 7.741 123.556 115.700 0.192 0.000 2.531 195 S HA 0.300 4.771 4.470 0.002 0.000 0.279 195 S C -1.477 173.276 174.600 0.255 0.000 1.305 195 S CA -0.954 57.370 58.200 0.207 0.000 1.058 195 S CB 0.706 64.024 63.200 0.196 0.000 0.899 195 S HN 0.527 nan 8.310 nan 0.000 0.493 196 P HA 0.261 nan 4.420 nan 0.000 0.274 196 P C 0.673 178.058 177.300 0.142 0.000 1.352 196 P CA -0.150 63.049 63.100 0.166 0.000 0.947 196 P CB 0.020 31.801 31.700 0.135 0.000 1.437 197 G N 2.468 111.381 108.800 0.189 0.000 2.535 197 G HA2 0.214 4.176 3.960 0.002 0.000 0.282 197 G HA3 0.214 4.176 3.960 0.002 0.000 0.282 197 G C -1.401 173.339 174.900 -0.266 0.000 1.350 197 G CA -1.104 44.041 45.100 0.074 0.000 1.039 197 G HN -0.087 nan 8.290 nan 0.000 0.509 198 P HA -0.007 nan 4.420 nan 0.000 0.226 198 P C 0.811 178.046 177.300 -0.109 0.000 1.153 198 P CA 0.413 63.304 63.100 -0.349 0.000 0.777 198 P CB 0.207 31.621 31.700 -0.475 0.000 0.794 199 L N -0.090 121.104 121.223 -0.048 0.000 2.473 199 L HA 0.102 4.443 4.340 0.002 0.000 0.268 199 L C 0.488 177.377 176.870 0.033 0.000 1.215 199 L CA -0.153 54.694 54.840 0.012 0.000 0.823 199 L CB 0.598 42.706 42.059 0.082 0.000 1.099 199 L HN -0.274 nan 8.230 nan 0.000 0.483 200 V N 1.027 120.961 119.914 0.033 0.000 2.305 200 V HA 0.297 4.418 4.120 0.002 0.000 0.275 200 V C 0.138 176.261 176.094 0.047 0.000 1.020 200 V CA -0.503 61.823 62.300 0.045 0.000 0.811 200 V CB 1.173 33.015 31.823 0.031 0.000 1.031 200 V HN 0.921 nan 8.190 nan 0.000 0.439 201 T N -0.344 114.247 114.554 0.061 0.000 2.940 201 T HA 0.529 4.881 4.350 0.002 0.000 0.288 201 T C 0.017 174.757 174.700 0.067 0.000 1.045 201 T CA -0.441 61.693 62.100 0.056 0.000 1.018 201 T CB 1.781 70.683 68.868 0.057 0.000 1.151 201 T HN 0.602 nan 8.240 nan 0.000 0.529 202 D N -0.048 120.384 120.400 0.054 0.000 2.945 202 D HA -0.175 4.466 4.640 0.002 0.000 0.225 202 D C -0.246 176.106 176.300 0.085 0.000 1.158 202 D CA 1.255 55.291 54.000 0.060 0.000 0.805 202 D CB -1.903 38.939 40.800 0.070 0.000 1.098 202 D HN 0.934 nan 8.370 nan 0.000 0.426 203 S N -0.025 115.720 115.700 0.075 0.000 3.681 203 S HA -0.184 4.288 4.470 0.002 0.000 0.473 203 S C 0.219 174.914 174.600 0.159 0.000 0.830 203 S CA 0.872 59.133 58.200 0.100 0.000 1.355 203 S CB -0.612 62.664 63.200 0.126 0.000 0.892 203 S HN 0.594 nan 8.310 nan 0.000 0.649 204 D N 0.935 121.415 120.400 0.133 0.000 2.699 204 D HA -0.207 4.434 4.640 0.002 0.000 0.239 204 D C 0.079 176.516 176.300 0.228 0.000 1.136 204 D CA 1.494 55.596 54.000 0.170 0.000 0.668 204 D CB -1.875 39.037 40.800 0.186 0.000 1.060 204 D HN 0.972 nan 8.370 nan 0.000 0.429 205 N N -1.192 117.611 118.700 0.172 0.000 2.714 205 N HA -0.198 4.543 4.740 0.002 0.000 0.253 205 N C -0.031 175.576 175.510 0.161 0.000 1.024 205 N CA 0.644 53.788 53.050 0.156 0.000 0.726 205 N CB -0.820 37.763 38.487 0.160 0.000 0.908 205 N HN 0.430 nan 8.380 nan 0.000 0.542 206 V N -2.712 117.301 119.914 0.165 0.000 5.820 206 V HA -0.299 3.823 4.120 0.002 0.000 0.300 206 V C 1.299 177.517 176.094 0.206 0.000 0.585 206 V CA 1.507 63.914 62.300 0.178 0.000 0.629 206 V CB -2.510 29.423 31.823 0.183 0.000 0.291 206 V HN 1.389 nan 8.190 nan 0.000 0.887 207 A N -1.322 121.636 122.820 0.230 0.000 2.832 207 A HA 0.200 4.521 4.320 0.002 0.000 0.280 207 A C 2.583 180.274 177.584 0.178 0.000 1.464 207 A CA 1.856 54.037 52.037 0.240 0.000 0.804 207 A CB -1.447 17.639 19.000 0.144 0.000 1.020 207 A HN 2.910 nan 8.150 nan 0.000 0.563 208 G N -3.228 105.636 108.800 0.106 0.000 2.195 208 G HA2 0.096 4.058 3.960 0.002 0.000 0.246 208 G HA3 0.096 4.058 3.960 0.002 0.000 0.246 208 G C 1.414 176.090 174.900 -0.373 0.000 0.984 208 G CA 1.219 46.033 45.100 -0.478 0.000 0.633 208 G HN 2.256 nan 8.290 nan 0.000 0.525 209 A N 0.093 122.888 122.820 -0.041 0.000 2.014 209 A HA 0.641 4.962 4.320 0.002 0.000 0.218 209 A C 1.750 179.468 177.584 0.222 0.000 1.163 209 A CA 2.045 54.142 52.037 0.099 0.000 0.652 209 A CB -0.274 18.881 19.000 0.258 0.000 0.808 209 A HN 2.064 nan 8.150 nan 0.000 0.449 210 A N 0.716 123.628 122.820 0.153 0.000 2.347 210 A HA 0.545 4.867 4.320 0.002 0.000 0.287 210 A C -0.703 176.953 177.584 0.120 0.000 1.199 210 A CA -0.334 51.812 52.037 0.182 0.000 0.851 210 A CB -0.296 18.785 19.000 0.135 0.000 1.118 210 A HN 0.533 nan 8.150 nan 0.000 0.525 211 H N 1.117 120.183 119.070 -0.007 0.000 2.524 211 H HA 0.482 5.039 4.556 0.002 0.000 0.353 211 H C -0.408 174.892 175.328 -0.048 0.000 1.136 211 H CA -0.721 55.311 56.048 -0.027 0.000 1.193 211 H CB 1.014 30.737 29.762 -0.065 0.000 1.558 211 H HN 0.573 nan 8.280 nan 0.000 0.515 212 E N 1.081 121.336 120.200 0.092 0.000 2.354 212 E HA 0.437 4.788 4.350 0.002 0.000 0.269 212 E C 0.502 177.057 176.600 -0.074 0.000 1.036 212 E CA -0.252 56.136 56.400 -0.021 0.000 0.876 212 E CB 1.476 31.198 29.700 0.038 0.000 1.009 212 E HN 0.832 nan 8.360 nan 0.000 0.416 213 G N 0.962 109.619 108.800 -0.239 0.000 3.015 213 G HA2 0.736 4.698 3.960 0.002 0.000 0.281 213 G HA3 0.736 4.698 3.960 0.002 0.000 0.281 213 G C -1.146 173.580 174.900 -0.290 0.000 1.386 213 G CA -0.674 44.270 45.100 -0.260 0.000 0.959 213 G HN 0.303 nan 8.290 nan 0.000 0.522 214 L N -0.745 120.284 121.223 -0.323 0.000 2.388 214 L HA 0.624 4.966 4.340 0.002 0.000 0.264 214 L C -1.440 175.206 176.870 -0.373 0.000 0.998 214 L CA -0.637 54.069 54.840 -0.222 0.000 0.817 214 L CB 2.516 44.520 42.059 -0.090 0.000 1.338 214 L HN 0.350 nan 8.230 nan 0.000 0.414 215 F N 1.218 121.144 119.950 -0.041 0.000 2.532 215 F HA 0.875 5.403 4.527 0.002 0.000 0.321 215 F C 0.299 176.087 175.800 -0.019 0.000 1.089 215 F CA -0.358 57.622 58.000 -0.033 0.000 0.926 215 F CB 2.213 41.199 39.000 -0.022 0.000 1.168 215 F HN 0.569 nan 8.300 nan 0.000 0.459 216 A N 2.721 125.658 122.820 0.196 0.000 2.540 216 A HA 0.671 4.993 4.320 0.002 0.000 0.291 216 A C -0.256 177.399 177.584 0.118 0.000 1.083 216 A CA -0.885 51.223 52.037 0.118 0.000 0.650 216 A CB 1.362 20.408 19.000 0.077 0.000 1.292 216 A HN 0.757 nan 8.150 nan 0.000 0.435 217 R N -0.139 120.417 120.500 0.094 0.000 2.437 217 R HA 0.247 4.589 4.340 0.002 0.000 0.257 217 R C 0.138 176.622 176.300 0.306 0.000 0.927 217 R CA 0.943 57.135 56.100 0.153 0.000 1.078 217 R CB 0.586 30.846 30.300 -0.068 0.000 1.161 217 R HN 0.800 nan 8.270 nan 0.000 0.529 218 S N -1.749 114.078 115.700 0.212 0.000 2.569 218 S HA 0.249 4.720 4.470 0.002 0.000 0.280 218 S C 0.823 175.539 174.600 0.194 0.000 1.111 218 S CA -0.924 57.398 58.200 0.204 0.000 0.887 218 S CB 2.215 65.461 63.200 0.076 0.000 1.095 218 S HN -0.181 nan 8.310 nan 0.000 0.476 219 V N 2.173 122.203 119.914 0.193 0.000 2.548 219 V HA -0.143 3.978 4.120 0.002 0.000 0.249 219 V C 2.849 179.005 176.094 0.104 0.000 1.055 219 V CA 2.088 64.478 62.300 0.150 0.000 1.065 219 V CB -1.234 30.680 31.823 0.151 0.000 0.681 219 V HN 0.967 nan 8.190 nan 0.000 0.462 220 R N 0.292 120.851 120.500 0.098 0.000 2.115 220 R HA -0.147 4.195 4.340 0.002 0.000 0.230 220 R C 1.665 178.043 176.300 0.131 0.000 1.111 220 R CA 1.870 58.034 56.100 0.106 0.000 0.976 220 R CB -0.627 29.730 30.300 0.094 0.000 0.870 220 R HN 0.337 nan 8.270 nan 0.000 0.445 221 D N 1.066 121.539 120.400 0.123 0.000 2.144 221 D HA -0.066 4.576 4.640 0.002 0.000 0.199 221 D C 1.936 178.271 176.300 0.059 0.000 0.984 221 D CA 0.879 54.948 54.000 0.114 0.000 0.834 221 D CB 0.021 40.876 40.800 0.091 0.000 0.955 221 D HN 0.162 nan 8.370 nan 0.000 0.465 222 I N 0.899 121.497 120.570 0.048 0.000 2.202 222 I HA -0.180 3.991 4.170 0.002 0.000 0.242 222 I C 2.409 178.526 176.117 -0.000 0.000 1.091 222 I CA 0.756 62.056 61.300 -0.000 0.000 1.368 222 I CB -1.280 36.710 38.000 -0.016 0.000 1.058 222 I HN -0.097 nan 8.210 nan 0.000 0.410 223 A N 0.996 123.843 122.820 0.045 0.000 1.908 223 A HA -0.162 4.159 4.320 0.002 0.000 0.218 223 A C 2.569 180.245 177.584 0.152 0.000 1.181 223 A CA 2.196 54.288 52.037 0.092 0.000 0.627 223 A CB -0.818 18.269 19.000 0.145 0.000 0.818 223 A HN 0.424 nan 8.150 nan 0.000 0.445 224 A N -0.444 122.478 122.820 0.170 0.000 1.933 224 A HA -0.005 4.316 4.320 0.002 0.000 0.218 224 A C 2.163 179.840 177.584 0.154 0.000 1.175 224 A CA 1.442 53.625 52.037 0.244 0.000 0.628 224 A CB -0.575 18.693 19.000 0.447 0.000 0.814 224 A HN 0.474 nan 8.150 nan 0.000 0.444 225 L N -0.715 120.524 121.223 0.027 0.000 2.083 225 L HA -0.169 4.172 4.340 0.002 0.000 0.209 225 L C 2.538 179.394 176.870 -0.023 0.000 1.083 225 L CA 0.954 55.752 54.840 -0.072 0.000 0.752 225 L CB -0.490 41.491 42.059 -0.129 0.000 0.899 225 L HN 0.371 nan 8.230 nan 0.000 0.433 226 L N -0.457 120.773 121.223 0.011 0.000 2.083 226 L HA -0.239 4.102 4.340 0.002 0.000 0.209 226 L C 2.134 179.087 176.870 0.138 0.000 1.083 226 L CA 1.086 55.944 54.840 0.030 0.000 0.752 226 L CB -0.553 41.443 42.059 -0.105 0.000 0.899 226 L HN 0.308 nan 8.230 nan 0.000 0.433 227 D N -0.708 119.807 120.400 0.191 0.000 2.264 227 D HA -0.122 4.519 4.640 0.002 0.000 0.208 227 D C 2.200 178.562 176.300 0.102 0.000 0.966 227 D CA 0.938 55.042 54.000 0.174 0.000 0.864 227 D CB 0.109 41.012 40.800 0.170 0.000 0.933 227 D HN 0.173 nan 8.370 nan 0.000 0.499 228 V N 0.602 120.559 119.914 0.071 0.000 2.379 228 V HA -0.107 4.014 4.120 0.002 0.000 0.243 228 V C 2.300 178.355 176.094 -0.065 0.000 1.035 228 V CA 1.339 63.650 62.300 0.018 0.000 1.035 228 V CB -0.049 31.783 31.823 0.014 0.000 0.673 228 V HN 0.176 nan 8.190 nan 0.000 0.457 229 V N -3.000 116.850 119.914 -0.106 0.000 3.621 229 V HA 0.349 4.470 4.120 0.002 0.000 0.285 229 V C 0.741 176.843 176.094 0.013 0.000 1.346 229 V CA -0.136 62.086 62.300 -0.130 0.000 1.104 229 V CB -0.028 31.609 31.823 -0.310 0.000 0.913 229 V HN 0.315 nan 8.190 nan 0.000 0.432 230 S N 0.746 116.474 115.700 0.047 0.000 2.669 230 S HA 0.805 5.276 4.470 0.002 0.000 0.270 230 S C 0.421 175.061 174.600 0.067 0.000 1.225 230 S CA 0.376 58.626 58.200 0.083 0.000 0.991 230 S CB 1.031 64.307 63.200 0.127 0.000 0.987 230 S HN 1.629 nan 8.310 nan 0.000 0.552 231 G N 0.548 109.398 108.800 0.082 0.000 2.640 231 G HA2 0.020 3.982 3.960 0.002 0.000 0.686 231 G HA3 0.020 3.982 3.960 0.002 0.000 0.686 231 G C -1.078 173.866 174.900 0.073 0.000 1.229 231 G CA -1.012 44.132 45.100 0.073 0.000 0.796 231 G HN 0.926 nan 8.290 nan 0.000 0.654 232 H N 1.855 120.929 119.070 0.008 0.000 2.803 232 H HA 0.664 5.222 4.556 0.002 0.000 0.330 232 H C 0.692 175.988 175.328 -0.054 0.000 1.057 232 H CA 0.258 56.305 56.048 -0.001 0.000 1.458 232 H CB 0.512 30.278 29.762 0.007 0.000 1.470 232 H HN 0.523 nan 8.280 nan 0.000 0.560 233 R N 4.595 124.704 120.500 -0.653 0.000 2.832 233 R HA 0.337 4.678 4.340 0.002 0.000 0.271 233 R C -2.683 173.253 176.300 -0.607 0.000 0.996 233 R CA -2.959 52.793 56.100 -0.580 0.000 0.977 233 R CB 0.256 30.172 30.300 -0.640 0.000 1.168 233 R HN 0.620 nan 8.270 nan 0.000 0.482 234 P HA 0.036 nan 4.420 nan 0.000 0.260 234 P C 0.662 177.951 177.300 -0.019 0.000 1.185 234 P CA 1.232 64.271 63.100 -0.101 0.000 0.763 234 P CB 0.285 31.984 31.700 -0.002 0.000 0.776 235 G N 2.613 111.413 108.800 0.000 0.000 2.241 235 G HA2 -0.217 3.744 3.960 0.002 0.000 0.244 235 G HA3 -0.217 3.744 3.960 0.002 0.000 0.244 235 G C 0.017 174.933 174.900 0.026 0.000 0.998 235 G CA -0.320 44.800 45.100 0.033 0.000 0.621 235 G HN 0.494 nan 8.290 nan 0.000 0.519 236 D N 1.152 121.534 120.400 -0.029 0.000 2.531 236 D HA 0.340 4.982 4.640 0.002 0.000 0.239 236 D C 1.662 178.002 176.300 0.066 0.000 1.144 236 D CA 1.008 55.024 54.000 0.026 0.000 0.869 236 D CB 1.032 41.811 40.800 -0.035 0.000 1.160 236 D HN 0.221 nan 8.370 nan 0.000 0.484 237 T N 2.168 116.683 114.554 -0.065 0.000 2.770 237 T HA -0.044 4.307 4.350 0.002 0.000 0.263 237 T C 0.706 175.100 174.700 -0.510 0.000 1.039 237 T CA 0.802 62.680 62.100 -0.371 0.000 1.142 237 T CB -0.031 68.414 68.868 -0.705 0.000 0.868 237 T HN 0.258 nan 8.240 nan 0.000 0.435 238 F N -0.116 119.892 119.950 0.097 0.000 2.450 238 F HA 0.629 5.157 4.527 0.002 0.000 0.328 238 F C 0.245 176.123 175.800 0.131 0.000 1.068 238 F CA -1.517 56.538 58.000 0.091 0.000 1.007 238 F CB 0.950 39.981 39.000 0.051 0.000 1.251 238 F HN -0.007 nan 8.300 nan 0.000 0.492 239 C N 1.171 120.656 119.300 0.308 0.000 2.985 239 C HA 0.894 5.355 4.460 0.002 0.000 0.314 239 C C -0.719 174.399 174.990 0.213 0.000 1.215 239 C CA -0.425 58.725 59.018 0.220 0.000 1.414 239 C CB 0.525 28.329 27.740 0.107 0.000 1.842 239 C HN 1.051 nan 8.230 nan 0.000 0.477 240 A N 4.360 127.269 122.820 0.149 0.000 2.330 240 A HA 0.908 5.229 4.320 0.002 0.000 0.329 240 A C -2.778 174.873 177.584 0.112 0.000 1.135 240 A CA -1.117 50.983 52.037 0.105 0.000 0.817 240 A CB 0.466 19.457 19.000 -0.015 0.000 1.269 240 A HN 0.725 nan 8.150 nan 0.000 0.469 241 P HA 0.215 nan 4.420 nan 0.000 0.266 241 P C -0.302 177.046 177.300 0.080 0.000 1.195 241 P CA 0.373 63.535 63.100 0.105 0.000 0.768 241 P CB 0.389 32.163 31.700 0.123 0.000 0.838 242 T N 1.998 116.587 114.554 0.058 0.000 2.869 242 T HA 0.451 4.802 4.350 0.002 0.000 0.295 242 T C 0.349 175.057 174.700 0.013 0.000 0.987 242 T CA -0.280 61.843 62.100 0.038 0.000 1.109 242 T CB 0.630 69.510 68.868 0.020 0.000 0.932 242 T HN 0.428 nan 8.240 nan 0.000 0.518 243 A N 2.136 124.938 122.820 -0.030 0.000 2.302 243 A HA 0.495 4.817 4.320 0.002 0.000 0.285 243 A C 1.469 178.984 177.584 -0.116 0.000 1.105 243 A CA -0.450 51.521 52.037 -0.110 0.000 0.816 243 A CB 0.328 19.110 19.000 -0.364 0.000 1.067 243 A HN 0.907 nan 8.150 nan 0.000 0.489 244 S N 1.060 116.702 115.700 -0.096 0.000 2.461 244 S HA 0.100 4.571 4.470 0.002 0.000 0.228 244 S C 0.881 175.425 174.600 -0.094 0.000 1.005 244 S CA 0.526 58.682 58.200 -0.072 0.000 0.942 244 S CB -0.000 63.173 63.200 -0.044 0.000 0.776 244 S HN 0.720 nan 8.310 nan 0.000 0.514 245 R N 0.920 121.332 120.500 -0.146 0.000 2.808 245 R HA 0.523 4.864 4.340 0.002 0.000 0.272 245 R C -3.255 172.899 176.300 -0.244 0.000 0.995 245 R CA -2.273 53.742 56.100 -0.142 0.000 0.917 245 R CB 1.338 31.580 30.300 -0.096 0.000 1.217 245 R HN 0.077 nan 8.270 nan 0.000 0.471 246 P HA 0.059 nan 4.420 nan 0.000 0.269 246 P C -0.224 176.970 177.300 -0.177 0.000 1.209 246 P CA 0.069 63.063 63.100 -0.176 0.000 0.776 246 P CB 0.326 31.998 31.700 -0.047 0.000 0.876 247 Y N 1.503 121.822 120.300 0.032 0.000 2.274 247 Y HA -0.185 4.367 4.550 0.002 0.000 0.290 247 Y C 2.476 178.401 175.900 0.042 0.000 1.145 247 Y CA 1.735 59.855 58.100 0.034 0.000 1.203 247 Y CB -1.399 37.080 38.460 0.032 0.000 0.984 247 Y HN 0.383 nan 8.280 nan 0.000 0.533 248 A N -0.324 122.605 122.820 0.182 0.000 2.070 248 A HA -0.224 4.097 4.320 0.002 0.000 0.220 248 A C 2.036 179.671 177.584 0.084 0.000 1.159 248 A CA 1.703 53.820 52.037 0.134 0.000 0.656 248 A CB -0.445 18.631 19.000 0.126 0.000 0.800 248 A HN 0.570 nan 8.150 nan 0.000 0.453 249 Q N -1.467 118.366 119.800 0.055 0.000 2.226 249 Q HA 0.039 4.380 4.340 0.002 0.000 0.199 249 Q C 2.174 178.194 176.000 0.033 0.000 0.945 249 Q CA 0.732 56.552 55.803 0.029 0.000 0.861 249 Q CB -0.188 28.550 28.738 0.001 0.000 0.953 249 Q HN 0.628 nan 8.270 nan 0.000 0.490 250 G N 1.305 110.127 108.800 0.037 0.000 2.484 250 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 250 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 250 G C 1.376 176.324 174.900 0.079 0.000 1.130 250 G CA -0.014 45.114 45.100 0.047 0.000 0.784 250 G HN 0.329 nan 8.290 nan 0.000 0.543 251 I N 1.758 122.388 120.570 0.101 0.000 2.399 251 I HA -0.218 3.953 4.170 0.002 0.000 0.254 251 I C 2.475 178.636 176.117 0.073 0.000 1.146 251 I CA 1.818 63.177 61.300 0.099 0.000 1.412 251 I CB 0.132 38.194 38.000 0.103 0.000 1.076 251 I HN 0.285 nan 8.210 nan 0.000 0.432 252 S N -1.013 114.722 115.700 0.058 0.000 2.575 252 S HA 0.150 4.621 4.470 0.002 0.000 0.215 252 S C 0.589 175.214 174.600 0.041 0.000 0.966 252 S CA -0.482 57.745 58.200 0.045 0.000 0.911 252 S CB -0.280 62.940 63.200 0.034 0.000 0.780 252 S HN 0.453 nan 8.310 nan 0.000 0.514 253 E N 2.642 122.869 120.200 0.045 0.000 2.373 253 E HA 0.156 4.508 4.350 0.002 0.000 0.267 253 E C -0.361 176.268 176.600 0.047 0.000 1.032 253 E CA -0.419 56.004 56.400 0.039 0.000 0.889 253 E CB 0.350 30.072 29.700 0.037 0.000 0.984 253 E HN 0.204 nan 8.360 nan 0.000 0.425 254 N N 3.894 122.617 118.700 0.038 0.000 2.401 254 N HA 0.052 4.794 4.740 0.002 0.000 0.255 254 N C -1.597 173.943 175.510 0.050 0.000 1.110 254 N CA -1.392 51.683 53.050 0.041 0.000 0.949 254 N CB 0.935 39.435 38.487 0.022 0.000 1.110 254 N HN 0.347 nan 8.380 nan 0.000 0.490 255 P HA 0.114 nan 4.420 nan 0.000 0.229 255 P C 0.636 177.986 177.300 0.084 0.000 1.160 255 P CA 0.472 63.627 63.100 0.091 0.000 0.777 255 P CB 0.261 32.039 31.700 0.130 0.000 0.814 256 G N 0.184 109.020 108.800 0.060 0.000 2.698 256 G HA2 -0.190 3.771 3.960 0.002 0.000 0.225 256 G HA3 -0.190 3.771 3.960 0.002 0.000 0.225 256 G C -0.575 174.334 174.900 0.016 0.000 1.345 256 G CA -0.209 44.900 45.100 0.016 0.000 0.871 256 G HN 0.340 nan 8.290 nan 0.000 0.540 257 S N -0.111 115.576 115.700 -0.021 0.000 2.430 257 S HA 0.569 5.040 4.470 0.002 0.000 0.282 257 S C 0.607 175.291 174.600 0.140 0.000 1.186 257 S CA -0.410 57.792 58.200 0.002 0.000 1.060 257 S CB -0.596 62.578 63.200 -0.043 0.000 0.966 257 S HN 0.664 nan 8.310 nan 0.000 0.501 258 L N 4.629 126.076 121.223 0.372 0.000 2.352 258 L HA 0.598 4.939 4.340 0.002 0.000 0.269 258 L C 0.735 177.662 176.870 0.096 0.000 1.034 258 L CA -1.232 53.714 54.840 0.175 0.000 0.806 258 L CB 0.783 42.919 42.059 0.128 0.000 1.244 258 L HN 0.382 nan 8.230 nan 0.000 0.447 259 R N 1.687 122.176 120.500 -0.018 0.000 2.242 259 R HA 0.346 4.688 4.340 0.002 0.000 0.334 259 R C -1.006 175.359 176.300 0.107 0.000 1.071 259 R CA -0.265 55.783 56.100 -0.088 0.000 0.922 259 R CB 0.703 30.758 30.300 -0.408 0.000 1.023 259 R HN 0.281 nan 8.270 nan 0.000 0.458 260 V N 2.148 122.194 119.914 0.219 0.000 2.495 260 V HA 0.556 4.677 4.120 0.002 0.000 0.298 260 V C 0.674 177.013 176.094 0.410 0.000 1.031 260 V CA -0.952 61.509 62.300 0.268 0.000 0.871 260 V CB 2.044 33.944 31.823 0.128 0.000 0.988 260 V HN 0.834 nan 8.190 nan 0.000 0.432 261 G N 2.271 111.291 108.800 0.368 0.000 2.415 261 G HA2 0.609 4.570 3.960 0.002 0.000 0.327 261 G HA3 0.609 4.570 3.960 0.002 0.000 0.327 261 G C -1.312 173.643 174.900 0.092 0.000 1.182 261 G CA -0.576 44.637 45.100 0.189 0.000 0.924 261 G HN 0.679 nan 8.290 nan 0.000 0.470 262 V N 3.498 123.445 119.914 0.055 0.000 2.555 262 V HA 0.769 4.891 4.120 0.002 0.000 0.302 262 V C -1.173 174.919 176.094 -0.004 0.000 1.038 262 V CA -0.996 61.319 62.300 0.025 0.000 0.887 262 V CB 1.690 33.547 31.823 0.057 0.000 0.991 262 V HN 0.689 nan 8.190 nan 0.000 0.434 263 L N 6.096 127.274 121.223 -0.074 0.000 2.325 263 L HA 0.747 5.089 4.340 0.002 0.000 0.281 263 L C 0.537 177.369 176.870 -0.062 0.000 1.004 263 L CA 0.614 55.357 54.840 -0.161 0.000 0.823 263 L CB 1.903 43.704 42.059 -0.430 0.000 1.236 263 L HN 0.855 nan 8.230 nan 0.000 0.415 264 T N 0.402 114.980 114.554 0.040 0.000 3.380 264 T HA 0.421 4.772 4.350 0.002 0.000 0.289 264 T C -0.085 174.719 174.700 0.173 0.000 1.012 264 T CA -0.217 61.946 62.100 0.105 0.000 0.944 264 T CB -0.703 68.221 68.868 0.094 0.000 1.172 264 T HN 0.772 nan 8.240 nan 0.000 0.502 265 H N -0.901 118.164 119.070 -0.007 0.000 2.990 265 H HA 0.537 5.094 4.556 0.002 0.000 0.336 265 H C -1.818 173.528 175.328 0.029 0.000 1.306 265 H CA -0.844 55.204 56.048 0.000 0.000 1.118 265 H CB 1.093 30.823 29.762 -0.054 0.000 1.856 265 H HN 0.046 nan 8.280 nan 0.000 0.538 266 N N 2.605 121.253 118.700 -0.087 0.000 2.469 266 N HA 0.151 4.892 4.740 0.002 0.000 0.239 266 N C -1.610 173.684 175.510 -0.360 0.000 1.053 266 N CA -2.313 50.633 53.050 -0.174 0.000 0.937 266 N CB 0.931 39.185 38.487 -0.388 0.000 1.163 266 N HN 0.355 nan 8.380 nan 0.000 0.509 267 P HA -0.126 nan 4.420 nan 0.000 0.225 267 P C 0.992 178.198 177.300 -0.158 0.000 1.148 267 P CA 0.683 63.538 63.100 -0.408 0.000 0.779 267 P CB 0.473 31.810 31.700 -0.606 0.000 0.780 268 V N -0.317 119.477 119.914 -0.201 0.000 2.591 268 V HA 0.060 4.181 4.120 0.002 0.000 0.249 268 V C 2.049 178.049 176.094 -0.155 0.000 1.053 268 V CA 1.645 63.851 62.300 -0.157 0.000 1.068 268 V CB -1.658 30.053 31.823 -0.187 0.000 0.689 268 V HN 0.324 nan 8.190 nan 0.000 0.462 269 G N 1.534 110.207 108.800 -0.212 0.000 2.148 269 G HA2 -0.279 3.682 3.960 0.002 0.000 0.254 269 G HA3 -0.279 3.682 3.960 0.002 0.000 0.254 269 G C 0.423 175.226 174.900 -0.161 0.000 0.981 269 G CA 0.589 45.598 45.100 -0.150 0.000 0.670 269 G HN 0.688 nan 8.290 nan 0.000 0.528 270 D N -0.464 119.781 120.400 -0.258 0.000 2.339 270 D HA 0.383 5.024 4.640 0.002 0.000 0.217 270 D C 0.639 176.942 176.300 0.005 0.000 1.050 270 D CA 0.576 54.506 54.000 -0.117 0.000 0.856 270 D CB -0.315 40.452 40.800 -0.054 0.000 0.922 270 D HN 0.999 nan 8.370 nan 0.000 0.518 271 F N -1.807 118.135 119.950 -0.014 0.000 2.769 271 F HA 0.647 5.176 4.527 0.002 0.000 0.313 271 F C -1.819 173.968 175.800 -0.021 0.000 1.146 271 F CA -2.152 55.833 58.000 -0.024 0.000 0.934 271 F CB 0.660 39.634 39.000 -0.044 0.000 1.283 271 F HN -0.065 nan 8.300 nan 0.000 0.443 272 A N 2.613 125.597 122.820 0.272 0.000 2.328 272 A HA 0.619 4.940 4.320 0.002 0.000 0.284 272 A C -0.759 176.965 177.584 0.233 0.000 1.160 272 A CA -0.634 51.502 52.037 0.165 0.000 0.818 272 A CB 0.610 19.668 19.000 0.097 0.000 1.087 272 A HN 1.101 nan 8.150 nan 0.000 0.504 273 L N 2.231 123.546 121.223 0.153 0.000 2.455 273 L HA 0.173 4.515 4.340 0.002 0.000 0.272 273 L C 0.309 177.211 176.870 0.053 0.000 1.174 273 L CA 0.110 55.013 54.840 0.106 0.000 0.869 273 L CB 0.211 42.325 42.059 0.090 0.000 1.130 273 L HN 0.772 nan 8.230 nan 0.000 0.474 274 D N 6.261 126.663 120.400 0.002 0.000 2.487 274 D HA 0.035 4.676 4.640 0.002 0.000 0.243 274 D C -1.701 174.601 176.300 0.003 0.000 1.154 274 D CA -0.695 53.298 54.000 -0.011 0.000 0.876 274 D CB 1.122 41.894 40.800 -0.048 0.000 1.161 274 D HN 0.469 nan 8.370 nan 0.000 0.478 275 P HA -0.178 nan 4.420 nan 0.000 0.216 275 P C 0.610 177.917 177.300 0.012 0.000 1.150 275 P CA 1.263 64.374 63.100 0.018 0.000 0.843 275 P CB 0.129 31.838 31.700 0.016 0.000 0.787 276 E N -1.319 118.880 120.200 -0.001 0.000 2.107 276 E HA -0.123 4.229 4.350 0.002 0.000 0.191 276 E C 1.984 178.578 176.600 -0.009 0.000 0.982 276 E CA 0.970 57.366 56.400 -0.006 0.000 0.809 276 E CB -0.656 29.034 29.700 -0.016 0.000 0.756 276 E HN 0.264 nan 8.360 nan 0.000 0.459 277 C N 0.940 120.230 119.300 -0.017 0.000 2.446 277 C HA -0.059 4.403 4.460 0.002 0.000 0.277 277 C C 2.956 177.956 174.990 0.017 0.000 1.275 277 C CA 0.877 59.885 59.018 -0.017 0.000 1.727 277 C CB -0.885 26.828 27.740 -0.046 0.000 2.010 277 C HN 0.514 nan 8.230 nan 0.000 0.486 278 A N 0.527 123.366 122.820 0.031 0.000 1.902 278 A HA 0.060 4.381 4.320 0.002 0.000 0.217 278 A C 2.345 179.957 177.584 0.047 0.000 1.181 278 A CA 2.027 54.098 52.037 0.058 0.000 0.623 278 A CB -0.852 18.187 19.000 0.066 0.000 0.818 278 A HN 0.576 nan 8.150 nan 0.000 0.443 279 A N -0.267 122.573 122.820 0.033 0.000 1.969 279 A HA 0.206 4.527 4.320 0.002 0.000 0.218 279 A C 2.439 180.041 177.584 0.031 0.000 1.169 279 A CA 1.873 53.929 52.037 0.031 0.000 0.635 279 A CB -0.830 18.185 19.000 0.024 0.000 0.810 279 A HN 0.981 nan 8.150 nan 0.000 0.445 280 A N -0.068 122.765 122.820 0.023 0.000 1.898 280 A HA 0.199 4.520 4.320 0.002 0.000 0.216 280 A C 2.496 180.098 177.584 0.030 0.000 1.181 280 A CA 1.932 53.981 52.037 0.020 0.000 0.620 280 A CB -0.969 18.030 19.000 -0.001 0.000 0.819 280 A HN 0.992 nan 8.150 nan 0.000 0.442 281 A N -0.267 122.575 122.820 0.035 0.000 1.898 281 A HA -0.121 4.200 4.320 0.002 0.000 0.216 281 A C 2.176 179.787 177.584 0.046 0.000 1.181 281 A CA 2.066 54.128 52.037 0.042 0.000 0.620 281 A CB -0.435 18.597 19.000 0.053 0.000 0.819 281 A HN 0.443 nan 8.150 nan 0.000 0.442 282 R N 0.186 120.715 120.500 0.049 0.000 2.081 282 R HA -0.071 4.270 4.340 0.002 0.000 0.235 282 R C 2.137 178.469 176.300 0.052 0.000 1.131 282 R CA 2.063 58.194 56.100 0.051 0.000 0.960 282 R CB -1.404 28.926 30.300 0.049 0.000 0.856 282 R HN 0.378 nan 8.270 nan 0.000 0.436 283 G N -0.505 108.324 108.800 0.049 0.000 2.422 283 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 283 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 283 G C 1.544 176.482 174.900 0.062 0.000 1.146 283 G CA 0.882 46.014 45.100 0.053 0.000 0.769 283 G HN 0.506 nan 8.290 nan 0.000 0.547 284 A N 1.030 123.886 122.820 0.061 0.000 1.930 284 A HA 0.360 4.681 4.320 0.002 0.000 0.217 284 A C 2.790 180.416 177.584 0.071 0.000 1.175 284 A CA 2.009 54.088 52.037 0.069 0.000 0.627 284 A CB -0.659 18.377 19.000 0.059 0.000 0.815 284 A HN 0.725 nan 8.150 nan 0.000 0.443 285 A N -0.041 122.818 122.820 0.065 0.000 1.933 285 A HA 0.177 4.499 4.320 0.002 0.000 0.218 285 A C 2.475 180.108 177.584 0.081 0.000 1.175 285 A CA 1.957 54.037 52.037 0.072 0.000 0.628 285 A CB -0.932 18.110 19.000 0.069 0.000 0.814 285 A HN 1.005 nan 8.150 nan 0.000 0.444 286 A N -0.150 122.714 122.820 0.073 0.000 1.933 286 A HA 0.181 4.502 4.320 0.002 0.000 0.218 286 A C 2.470 180.100 177.584 0.077 0.000 1.175 286 A CA 1.961 54.040 52.037 0.071 0.000 0.628 286 A CB -0.920 18.115 19.000 0.060 0.000 0.814 286 A HN 1.033 nan 8.150 nan 0.000 0.444 287 A N -0.340 122.529 122.820 0.081 0.000 1.930 287 A HA 0.013 4.335 4.320 0.002 0.000 0.217 287 A C 2.128 179.781 177.584 0.114 0.000 1.175 287 A CA 1.377 53.467 52.037 0.088 0.000 0.627 287 A CB -0.509 18.545 19.000 0.090 0.000 0.815 287 A HN 0.472 nan 8.150 nan 0.000 0.443 288 L N -0.988 120.315 121.223 0.133 0.000 2.109 288 L HA -0.138 4.204 4.340 0.002 0.000 0.207 288 L C 3.077 180.081 176.870 0.225 0.000 1.086 288 L CA 0.882 55.851 54.840 0.215 0.000 0.760 288 L CB -0.546 41.598 42.059 0.141 0.000 0.910 288 L HN 0.436 nan 8.230 nan 0.000 0.437 289 A N 0.286 123.193 122.820 0.145 0.000 1.902 289 A HA -0.168 4.153 4.320 0.002 0.000 0.217 289 A C 2.521 180.151 177.584 0.076 0.000 1.181 289 A CA 1.682 53.786 52.037 0.113 0.000 0.623 289 A CB -0.667 18.385 19.000 0.088 0.000 0.818 289 A HN 0.384 nan 8.150 nan 0.000 0.443 290 A N -0.506 122.357 122.820 0.071 0.000 2.019 290 A HA 0.019 4.341 4.320 0.002 0.000 0.219 290 A C 1.953 179.557 177.584 0.032 0.000 1.164 290 A CA 1.333 53.398 52.037 0.047 0.000 0.644 290 A CB -0.518 18.512 19.000 0.049 0.000 0.805 290 A HN 0.477 nan 8.150 nan 0.000 0.449 291 L N -1.623 119.629 121.223 0.049 0.000 2.599 291 L HA 0.165 4.506 4.340 0.002 0.000 0.230 291 L C 1.734 178.532 176.870 -0.120 0.000 1.141 291 L CA 0.608 55.448 54.840 0.000 0.000 0.877 291 L CB -0.090 42.015 42.059 0.077 0.000 1.009 291 L HN 0.592 nan 8.230 nan 0.000 0.447 292 G N -1.730 107.018 108.800 -0.087 0.000 2.179 292 G HA2 -0.200 3.762 3.960 0.002 0.000 0.220 292 G HA3 -0.200 3.762 3.960 0.002 0.000 0.220 292 G C 0.296 175.108 174.900 -0.147 0.000 0.990 292 G CA -0.501 44.522 45.100 -0.128 0.000 0.646 292 G HN 0.331 nan 8.290 nan 0.000 0.517 293 H N 0.615 119.702 119.070 0.029 0.000 2.671 293 H HA 0.350 4.907 4.556 0.002 0.000 0.372 293 H C -0.268 175.077 175.328 0.029 0.000 1.227 293 H CA 0.703 56.769 56.048 0.030 0.000 1.426 293 H CB 1.057 30.848 29.762 0.048 0.000 1.480 293 H HN 0.200 nan 8.280 nan 0.000 0.611 294 D N 1.962 122.458 120.400 0.159 0.000 2.494 294 D HA 0.145 4.786 4.640 0.002 0.000 0.217 294 D C -0.827 175.550 176.300 0.128 0.000 1.153 294 D CA -0.333 53.718 54.000 0.086 0.000 0.954 294 D CB -0.369 40.437 40.800 0.009 0.000 1.034 294 D HN 0.100 nan 8.370 nan 0.000 0.518 295 V N 4.619 124.619 119.914 0.143 0.000 2.465 295 V HA 0.418 4.539 4.120 0.002 0.000 0.279 295 V C 0.391 176.587 176.094 0.169 0.000 1.045 295 V CA -0.618 61.780 62.300 0.164 0.000 0.938 295 V CB 1.126 33.032 31.823 0.138 0.000 0.986 295 V HN 0.484 nan 8.190 nan 0.000 0.467 296 N N 2.099 120.937 118.700 0.230 0.000 2.416 296 N HA 0.328 5.069 4.740 0.002 0.000 0.276 296 N C -1.574 174.045 175.510 0.183 0.000 1.261 296 N CA -0.775 52.411 53.050 0.226 0.000 0.790 296 N CB 2.236 40.932 38.487 0.349 0.000 1.554 296 N HN 0.523 nan 8.380 nan 0.000 0.481 297 D N 1.184 121.669 120.400 0.141 0.000 2.374 297 D HA 0.522 5.163 4.640 0.002 0.000 0.240 297 D C -0.437 175.920 176.300 0.095 0.000 1.229 297 D CA 0.377 54.446 54.000 0.114 0.000 0.895 297 D CB 0.383 41.245 40.800 0.103 0.000 1.046 297 D HN 0.576 nan 8.370 nan 0.000 0.498 298 A N 2.430 125.267 122.820 0.028 0.000 2.608 298 A HA 0.725 5.046 4.320 0.002 0.000 0.292 298 A C -1.714 175.719 177.584 -0.251 0.000 1.066 298 A CA -0.985 50.959 52.037 -0.155 0.000 0.676 298 A CB 1.329 20.089 19.000 -0.400 0.000 1.277 298 A HN 0.445 nan 8.150 nan 0.000 0.413 299 Y N -2.443 117.482 120.300 -0.625 0.000 2.641 299 Y HA 0.715 5.266 4.550 0.002 0.000 0.333 299 Y C -3.368 171.711 175.900 -1.369 0.000 1.174 299 Y CA -2.562 54.827 58.100 -1.184 0.000 1.057 299 Y CB 0.553 38.587 38.460 -0.709 0.000 1.322 299 Y HN 0.407 nan 8.280 nan 0.000 0.457 300 P HA 0.090 nan 4.420 nan 0.000 0.267 300 P C 0.328 177.395 177.300 -0.389 0.000 1.209 300 P CA 0.295 62.833 63.100 -0.937 0.000 0.763 300 P CB 0.818 32.194 31.700 -0.540 0.000 0.816 301 E N 3.361 123.377 120.200 -0.308 0.000 2.265 301 E HA -0.218 4.134 4.350 0.002 0.000 0.196 301 E C 1.528 178.108 176.600 -0.034 0.000 0.996 301 E CA 1.102 57.405 56.400 -0.161 0.000 0.832 301 E CB -0.566 29.059 29.700 -0.125 0.000 0.756 301 E HN 0.399 nan 8.360 nan 0.000 0.491 302 A N 1.869 124.643 122.820 -0.076 0.000 2.019 302 A HA -0.089 4.233 4.320 0.002 0.000 0.219 302 A C 2.226 179.852 177.584 0.070 0.000 1.164 302 A CA 0.928 52.930 52.037 -0.059 0.000 0.644 302 A CB -0.624 18.184 19.000 -0.320 0.000 0.805 302 A HN 0.312 nan 8.150 nan 0.000 0.449 303 L N -0.810 120.421 121.223 0.013 0.000 2.456 303 L HA -0.092 4.249 4.340 0.002 0.000 0.224 303 L C 2.376 179.255 176.870 0.014 0.000 1.148 303 L CA 0.692 55.536 54.840 0.007 0.000 0.825 303 L CB -0.491 41.481 42.059 -0.144 0.000 0.937 303 L HN 0.507 nan 8.230 nan 0.000 0.450 304 G N -0.946 107.895 108.800 0.069 0.000 2.920 304 G HA2 -0.118 3.844 3.960 0.002 0.000 0.208 304 G HA3 -0.118 3.844 3.960 0.002 0.000 0.208 304 G C -0.103 174.824 174.900 0.045 0.000 1.159 304 G CA -0.019 45.108 45.100 0.044 0.000 0.784 304 G HN 0.296 nan 8.290 nan 0.000 0.535 305 D N -1.226 119.242 120.400 0.113 0.000 2.505 305 D HA 0.417 5.058 4.640 0.002 0.000 0.249 305 D C 0.441 176.797 176.300 0.094 0.000 1.082 305 D CA -0.815 53.252 54.000 0.111 0.000 0.839 305 D CB 1.286 42.197 40.800 0.185 0.000 1.317 305 D HN -0.073 nan 8.370 nan 0.000 0.497 306 R N 2.612 123.043 120.500 -0.116 0.000 2.629 306 R HA 0.201 4.543 4.340 0.002 0.000 0.408 306 R C 0.527 176.442 176.300 -0.642 0.000 1.057 306 R CA -0.056 55.761 56.100 -0.473 0.000 1.119 306 R CB 0.330 30.377 30.300 -0.422 0.000 1.403 306 R HN 0.371 nan 8.270 nan 0.000 0.576 307 S N 0.627 116.142 115.700 -0.308 0.000 2.400 307 S HA -0.191 4.281 4.470 0.002 0.000 0.232 307 S C 1.362 175.792 174.600 -0.284 0.000 1.025 307 S CA 1.565 59.631 58.200 -0.224 0.000 0.993 307 S CB -0.262 62.898 63.200 -0.066 0.000 0.808 307 S HN 0.578 nan 8.310 nan 0.000 0.478 308 F N 1.439 121.208 119.950 -0.302 0.000 2.250 308 F HA -0.017 4.511 4.527 0.002 0.000 0.301 308 F C 1.735 177.398 175.800 -0.229 0.000 1.077 308 F CA 0.383 58.201 58.000 -0.302 0.000 1.348 308 F CB -0.823 37.827 39.000 -0.582 0.000 1.040 308 F HN 0.095 nan 8.300 nan 0.000 0.509 309 L N 1.158 121.696 121.223 -1.142 0.000 2.187 309 L HA -0.162 4.179 4.340 0.002 0.000 0.213 309 L C 2.577 179.292 176.870 -0.258 0.000 1.100 309 L CA 1.684 56.068 54.840 -0.759 0.000 0.765 309 L CB -1.007 40.468 42.059 -0.974 0.000 0.904 309 L HN 0.356 nan 8.230 nan 0.000 0.437 310 K N -0.781 119.500 120.400 -0.198 0.000 2.025 310 K HA -0.177 4.144 4.320 0.002 0.000 0.207 310 K C 1.662 178.273 176.600 0.018 0.000 1.049 310 K CA 1.714 57.969 56.287 -0.054 0.000 0.933 310 K CB -0.124 32.342 32.500 -0.058 0.000 0.714 310 K HN 0.397 nan 8.250 nan 0.000 0.438 311 D N -0.294 120.122 120.400 0.026 0.000 2.144 311 D HA -0.186 4.456 4.640 0.002 0.000 0.200 311 D C 1.806 178.178 176.300 0.121 0.000 0.978 311 D CA 0.972 55.009 54.000 0.062 0.000 0.833 311 D CB -0.229 40.614 40.800 0.071 0.000 0.961 311 D HN 0.258 nan 8.370 nan 0.000 0.470 312 Y N 1.764 122.080 120.300 0.027 0.000 2.181 312 Y HA -0.186 4.366 4.550 0.002 0.000 0.288 312 Y C 2.595 178.593 175.900 0.164 0.000 1.146 312 Y CA 1.095 59.245 58.100 0.084 0.000 1.164 312 Y CB -0.494 38.026 38.460 0.100 0.000 0.982 312 Y HN -0.170 nan 8.280 nan 0.000 0.515 313 S N -1.155 114.664 115.700 0.198 0.000 2.368 313 S HA -0.197 4.274 4.470 0.002 0.000 0.225 313 S C 2.021 176.631 174.600 0.017 0.000 1.030 313 S CA 2.018 60.324 58.200 0.176 0.000 0.999 313 S CB -0.611 62.744 63.200 0.259 0.000 0.844 313 S HN 0.637 nan 8.310 nan 0.000 0.459 314 T N 2.268 116.840 114.554 0.031 0.000 2.746 314 T HA 0.020 4.371 4.350 0.002 0.000 0.267 314 T C 1.693 176.416 174.700 0.039 0.000 1.039 314 T CA 1.494 63.611 62.100 0.028 0.000 1.142 314 T CB -0.337 68.553 68.868 0.036 0.000 0.866 314 T HN 0.407 nan 8.240 nan 0.000 0.444 315 I N 0.598 121.162 120.570 -0.011 0.000 2.286 315 I HA -0.174 3.997 4.170 0.002 0.000 0.248 315 I C 2.587 178.719 176.117 0.024 0.000 1.115 315 I CA 0.751 62.062 61.300 0.019 0.000 1.392 315 I CB -0.415 37.522 38.000 -0.106 0.000 1.065 315 I HN 0.324 nan 8.210 nan 0.000 0.418 316 C N 0.644 119.861 119.300 -0.138 0.000 2.425 316 C HA -0.157 4.304 4.460 0.002 0.000 0.277 316 C C 2.428 177.357 174.990 -0.101 0.000 1.280 316 C CA 0.700 59.611 59.018 -0.177 0.000 1.744 316 C CB -1.014 26.539 27.740 -0.313 0.000 1.989 316 C HN 0.522 nan 8.230 nan 0.000 0.491 317 D N 0.610 120.967 120.400 -0.071 0.000 2.104 317 D HA -0.113 4.528 4.640 0.002 0.000 0.194 317 D C 2.176 178.449 176.300 -0.045 0.000 0.994 317 D CA 1.184 55.143 54.000 -0.068 0.000 0.830 317 D CB -0.489 40.283 40.800 -0.047 0.000 0.959 317 D HN 0.284 nan 8.370 nan 0.000 0.452 318 V N 1.375 121.301 119.914 0.021 0.000 2.343 318 V HA -0.216 3.905 4.120 0.002 0.000 0.247 318 V C 2.514 178.604 176.094 -0.006 0.000 1.051 318 V CA 1.731 64.040 62.300 0.016 0.000 1.036 318 V CB -0.751 31.136 31.823 0.106 0.000 0.654 318 V HN 0.178 nan 8.190 nan 0.000 0.451 319 A N 0.121 122.959 122.820 0.031 0.000 1.877 319 A HA -0.155 4.167 4.320 0.002 0.000 0.216 319 A C 2.149 179.719 177.584 -0.022 0.000 1.186 319 A CA 1.737 53.785 52.037 0.017 0.000 0.620 319 A CB -0.459 18.561 19.000 0.033 0.000 0.822 319 A HN 0.393 nan 8.150 nan 0.000 0.443 320 I N -0.048 120.493 120.570 -0.049 0.000 2.252 320 I HA -0.204 3.967 4.170 0.002 0.000 0.245 320 I C 2.960 179.036 176.117 -0.067 0.000 1.102 320 I CA 1.342 62.606 61.300 -0.060 0.000 1.385 320 I CB -1.640 36.307 38.000 -0.089 0.000 1.064 320 I HN 0.365 nan 8.210 nan 0.000 0.414 321 A N 1.060 123.826 122.820 -0.091 0.000 1.883 321 A HA -0.219 4.102 4.320 0.002 0.000 0.217 321 A C 2.449 179.980 177.584 -0.089 0.000 1.186 321 A CA 1.574 53.539 52.037 -0.119 0.000 0.624 321 A CB -0.607 18.310 19.000 -0.139 0.000 0.822 321 A HN 0.358 nan 8.150 nan 0.000 0.444 322 R N -1.155 119.303 120.500 -0.071 0.000 2.189 322 R HA -0.059 4.282 4.340 0.002 0.000 0.218 322 R C 2.057 178.334 176.300 -0.038 0.000 1.074 322 R CA 1.158 57.223 56.100 -0.059 0.000 0.991 322 R CB -0.114 30.149 30.300 -0.063 0.000 0.883 322 R HN 0.580 nan 8.270 nan 0.000 0.457 323 E N 1.344 121.526 120.200 -0.029 0.000 2.107 323 E HA -0.062 4.290 4.350 0.002 0.000 0.191 323 E C 1.683 178.275 176.600 -0.013 0.000 0.982 323 E CA 0.925 57.316 56.400 -0.015 0.000 0.809 323 E CB -0.043 29.652 29.700 -0.008 0.000 0.756 323 E HN 0.232 nan 8.360 nan 0.000 0.459 324 I N 0.643 121.205 120.570 -0.013 0.000 2.286 324 I HA -0.234 3.937 4.170 0.002 0.000 0.248 324 I C 2.484 178.605 176.117 0.007 0.000 1.115 324 I CA 1.537 62.844 61.300 0.012 0.000 1.392 324 I CB -0.282 37.736 38.000 0.030 0.000 1.065 324 I HN 0.270 nan 8.210 nan 0.000 0.418 325 E N 1.410 121.601 120.200 -0.014 0.000 2.072 325 E HA -0.272 4.079 4.350 0.002 0.000 0.191 325 E C 2.413 178.997 176.600 -0.027 0.000 0.985 325 E CA 1.045 57.434 56.400 -0.017 0.000 0.801 325 E CB -0.064 29.617 29.700 -0.032 0.000 0.750 325 E HN 0.285 nan 8.360 nan 0.000 0.452 326 R N 0.269 120.750 120.500 -0.030 0.000 2.081 326 R HA -0.116 4.226 4.340 0.002 0.000 0.235 326 R C 2.116 178.378 176.300 -0.064 0.000 1.131 326 R CA 1.640 57.718 56.100 -0.037 0.000 0.960 326 R CB -0.152 30.133 30.300 -0.024 0.000 0.856 326 R HN 0.255 nan 8.270 nan 0.000 0.436 327 N N -0.334 118.329 118.700 -0.062 0.000 2.244 327 N HA -0.097 4.644 4.740 0.002 0.000 0.183 327 N C 1.691 177.128 175.510 -0.122 0.000 1.016 327 N CA 1.313 54.299 53.050 -0.107 0.000 0.866 327 N CB -0.200 38.252 38.487 -0.059 0.000 0.980 327 N HN 0.381 nan 8.380 nan 0.000 0.430 328 G N 1.430 110.192 108.800 -0.064 0.000 2.418 328 G HA2 -0.232 3.730 3.960 0.002 0.000 0.217 328 G HA3 -0.232 3.730 3.960 0.002 0.000 0.217 328 G C 1.402 176.260 174.900 -0.070 0.000 1.158 328 G CA 0.570 45.640 45.100 -0.049 0.000 0.771 328 G HN 0.385 nan 8.290 nan 0.000 0.545 329 E N 0.110 120.268 120.200 -0.069 0.000 2.153 329 E HA -0.040 4.311 4.350 0.002 0.000 0.194 329 E C 2.547 179.086 176.600 -0.101 0.000 0.988 329 E CA 0.364 56.725 56.400 -0.065 0.000 0.811 329 E CB -0.194 29.477 29.700 -0.049 0.000 0.746 329 E HN 0.399 nan 8.360 nan 0.000 0.466 330 L N 0.831 121.942 121.223 -0.188 0.000 2.127 330 L HA -0.167 4.174 4.340 0.002 0.000 0.211 330 L C 2.522 179.213 176.870 -0.298 0.000 1.089 330 L CA 1.085 55.720 54.840 -0.341 0.000 0.757 330 L CB -0.467 41.145 42.059 -0.745 0.000 0.899 330 L HN 0.290 nan 8.230 nan 0.000 0.434 331 I N -4.687 115.754 120.570 -0.215 0.000 3.783 331 I HA 0.368 4.539 4.170 0.002 0.000 0.310 331 I C 1.358 177.455 176.117 -0.033 0.000 1.274 331 I CA 0.645 61.891 61.300 -0.090 0.000 1.294 331 I CB 0.261 38.220 38.000 -0.069 0.000 1.051 331 I HN 0.198 nan 8.210 nan 0.000 0.435 332 G N 2.654 111.429 108.800 -0.041 0.000 2.159 332 G HA2 -0.241 3.720 3.960 0.002 0.000 0.227 332 G HA3 -0.241 3.720 3.960 0.002 0.000 0.227 332 G C 0.244 175.135 174.900 -0.014 0.000 0.986 332 G CA 0.134 45.223 45.100 -0.018 0.000 0.651 332 G HN 0.791 nan 8.290 nan 0.000 0.523 333 R N -0.858 119.630 120.500 -0.019 0.000 2.626 333 R HA 0.669 5.010 4.340 0.002 0.000 0.274 333 R C -3.374 172.922 176.300 -0.006 0.000 1.031 333 R CA -1.954 54.140 56.100 -0.010 0.000 0.898 333 R CB 1.447 31.742 30.300 -0.008 0.000 1.222 333 R HN 0.028 nan 8.270 nan 0.000 0.455 334 P HA 0.070 nan 4.420 nan 0.000 0.269 334 P C -0.641 176.682 177.300 0.038 0.000 1.209 334 P CA -0.228 62.889 63.100 0.028 0.000 0.776 334 P CB 0.546 32.271 31.700 0.042 0.000 0.876 335 L N 1.673 122.939 121.223 0.071 0.000 2.357 335 L HA 0.495 4.837 4.340 0.002 0.000 0.273 335 L C 1.143 178.088 176.870 0.124 0.000 1.080 335 L CA -0.334 54.553 54.840 0.078 0.000 0.803 335 L CB 1.199 43.317 42.059 0.098 0.000 1.174 335 L HN 0.459 nan 8.230 nan 0.000 0.443 336 T N -2.862 111.667 114.554 -0.041 0.000 2.927 336 T HA 0.184 4.535 4.350 0.002 0.000 0.286 336 T C 0.663 174.916 174.700 -0.745 0.000 1.040 336 T CA -0.757 61.150 62.100 -0.321 0.000 1.010 336 T CB 1.513 70.224 68.868 -0.260 0.000 1.177 336 T HN 0.694 nan 8.240 nan 0.000 0.546 337 E N -0.290 118.996 120.200 -1.524 0.000 2.455 337 E HA -0.175 4.177 4.350 0.002 0.000 0.202 337 E C 0.519 176.777 176.600 -0.570 0.000 1.045 337 E CA 1.095 56.594 56.400 -1.502 0.000 0.872 337 E CB -0.108 28.627 29.700 -1.608 0.000 0.792 337 E HN 0.555 nan 8.360 nan 0.000 0.542 338 D N 0.013 120.177 120.400 -0.394 0.000 2.360 338 D HA -0.032 4.609 4.640 0.002 0.000 0.210 338 D C 0.605 176.826 176.300 -0.132 0.000 1.047 338 D CA 0.177 54.053 54.000 -0.208 0.000 0.854 338 D CB 0.288 40.986 40.800 -0.170 0.000 0.936 338 D HN 0.233 nan 8.370 nan 0.000 0.514 339 D N 0.605 120.930 120.400 -0.124 0.000 2.355 339 D HA 0.002 4.644 4.640 0.002 0.000 0.206 339 D C 1.223 177.515 176.300 -0.014 0.000 1.010 339 D CA 0.354 54.320 54.000 -0.055 0.000 0.875 339 D CB 1.544 42.325 40.800 -0.032 0.000 0.966 339 D HN 0.144 nan 8.370 nan 0.000 0.512 340 V N -1.859 118.059 119.914 0.006 0.000 3.181 340 V HA 0.488 4.609 4.120 0.002 0.000 0.314 340 V C -0.190 175.936 176.094 0.054 0.000 1.173 340 V CA -1.047 61.284 62.300 0.052 0.000 1.052 340 V CB 2.145 34.044 31.823 0.127 0.000 1.123 340 V HN -0.239 nan 8.190 nan 0.000 0.454 341 E N 1.474 121.701 120.200 0.046 0.000 2.373 341 E HA 0.104 4.456 4.350 0.002 0.000 0.263 341 E C 0.779 177.424 176.600 0.074 0.000 1.073 341 E CA 0.128 56.553 56.400 0.042 0.000 0.894 341 E CB 0.867 30.536 29.700 -0.050 0.000 1.008 341 E HN 0.911 nan 8.360 nan 0.000 0.420 342 W N 2.462 123.793 121.300 0.052 0.000 2.342 342 W HA -0.225 4.436 4.660 0.002 0.000 0.297 342 W C 1.357 177.937 176.519 0.101 0.000 1.213 342 W CA 1.881 59.277 57.345 0.086 0.000 1.251 342 W CB -1.368 28.119 29.460 0.046 0.000 1.136 342 W HN 0.521 nan 8.180 nan 0.000 0.526 343 T N -0.477 113.503 114.554 -0.957 0.000 2.788 343 T HA -0.191 4.160 4.350 0.002 0.000 0.268 343 T C 1.943 176.439 174.700 -0.340 0.000 1.044 343 T CA 2.030 63.585 62.100 -0.909 0.000 1.139 343 T CB -0.901 67.389 68.868 -0.963 0.000 0.867 343 T HN 0.139 nan 8.240 nan 0.000 0.454 344 S N -0.051 115.533 115.700 -0.194 0.000 2.355 344 S HA -0.010 4.462 4.470 0.002 0.000 0.222 344 S C 1.524 176.134 174.600 0.017 0.000 1.031 344 S CA 0.761 58.916 58.200 -0.075 0.000 0.993 344 S CB -0.680 62.510 63.200 -0.016 0.000 0.859 344 S HN 0.660 nan 8.310 nan 0.000 0.453 345 W N 2.577 123.845 121.300 -0.054 0.000 2.342 345 W HA -0.143 4.519 4.660 0.002 0.000 0.297 345 W C 2.045 178.565 176.519 0.002 0.000 1.213 345 W CA 1.638 58.979 57.345 -0.007 0.000 1.251 345 W CB -0.225 29.257 29.460 0.037 0.000 1.136 345 W HN 0.432 nan 8.180 nan 0.000 0.526 346 E N 0.164 120.405 120.200 0.069 0.000 2.160 346 E HA -0.258 4.093 4.350 0.002 0.000 0.195 346 E C 2.231 178.757 176.600 -0.124 0.000 0.991 346 E CA 1.675 58.077 56.400 0.003 0.000 0.810 346 E CB -0.389 29.363 29.700 0.087 0.000 0.742 346 E HN 0.279 nan 8.360 nan 0.000 0.466 347 M N -0.326 119.180 119.600 -0.156 0.000 2.394 347 M HA -0.108 4.373 4.480 0.002 0.000 0.264 347 M C 2.074 178.242 176.300 -0.220 0.000 1.073 347 M CA 0.506 55.708 55.300 -0.164 0.000 1.111 347 M CB 0.244 32.752 32.600 -0.153 0.000 1.401 347 M HN 0.050 nan 8.290 nan 0.000 0.448 348 V N 0.772 120.467 119.914 -0.365 0.000 2.295 348 V HA -0.283 3.838 4.120 0.002 0.000 0.246 348 V C 2.368 178.248 176.094 -0.357 0.000 1.049 348 V CA 1.917 63.937 62.300 -0.466 0.000 1.024 348 V CB -0.729 30.523 31.823 -0.950 0.000 0.648 348 V HN 0.480 nan 8.190 nan 0.000 0.447 349 K N 0.015 120.210 120.400 -0.342 0.000 2.025 349 K HA -0.161 4.160 4.320 0.002 0.000 0.207 349 K C 2.438 178.965 176.600 -0.121 0.000 1.049 349 K CA 1.319 57.489 56.287 -0.195 0.000 0.933 349 K CB -0.128 32.295 32.500 -0.129 0.000 0.714 349 K HN 0.312 nan 8.250 nan 0.000 0.438 350 R N 0.051 120.486 120.500 -0.109 0.000 2.091 350 R HA -0.122 4.219 4.340 0.002 0.000 0.238 350 R C 2.381 178.645 176.300 -0.060 0.000 1.136 350 R CA 1.234 57.294 56.100 -0.066 0.000 0.959 350 R CB -0.413 29.853 30.300 -0.057 0.000 0.856 350 R HN 0.272 nan 8.270 nan 0.000 0.437 351 A N 1.647 124.415 122.820 -0.087 0.000 1.940 351 A HA -0.190 4.131 4.320 0.002 0.000 0.219 351 A C 1.553 179.099 177.584 -0.063 0.000 1.176 351 A CA 1.711 53.707 52.037 -0.069 0.000 0.631 351 A CB -0.378 18.562 19.000 -0.100 0.000 0.814 351 A HN 0.194 nan 8.150 nan 0.000 0.446 352 D N -0.465 119.886 120.400 -0.082 0.000 2.309 352 D HA -0.120 4.521 4.640 0.002 0.000 0.212 352 D C 1.553 177.831 176.300 -0.038 0.000 0.968 352 D CA 1.102 55.063 54.000 -0.065 0.000 0.882 352 D CB -0.163 40.593 40.800 -0.074 0.000 0.918 352 D HN 0.675 nan 8.370 nan 0.000 0.503 353 Q N -0.155 119.628 119.800 -0.028 0.000 2.282 353 Q HA 0.132 4.474 4.340 0.002 0.000 0.206 353 Q C -0.131 175.872 176.000 0.006 0.000 0.878 353 Q CA -0.090 55.707 55.803 -0.010 0.000 0.944 353 Q CB 1.541 30.274 28.738 -0.008 0.000 1.100 353 Q HN -0.002 nan 8.270 nan 0.000 0.509 354 V N 2.259 122.180 119.914 0.011 0.000 2.432 354 V HA 0.156 4.278 4.120 0.002 0.000 0.275 354 V C 0.631 176.750 176.094 0.041 0.000 1.043 354 V CA -0.418 61.908 62.300 0.044 0.000 0.925 354 V CB 1.101 32.971 31.823 0.079 0.000 0.985 354 V HN 0.266 nan 8.190 nan 0.000 0.466 355 T N 2.078 116.666 114.554 0.055 0.000 2.881 355 T HA 0.430 4.782 4.350 0.002 0.000 0.278 355 T C 1.483 176.230 174.700 0.078 0.000 0.982 355 T CA 0.077 62.205 62.100 0.047 0.000 0.989 355 T CB 1.589 70.481 68.868 0.041 0.000 1.058 355 T HN 0.690 nan 8.240 nan 0.000 0.529 356 G N 0.393 109.224 108.800 0.053 0.000 2.446 356 G HA2 -0.185 3.777 3.960 0.002 0.000 0.217 356 G HA3 -0.185 3.777 3.960 0.002 0.000 0.217 356 G C 1.664 176.640 174.900 0.126 0.000 1.168 356 G CA 0.319 45.463 45.100 0.073 0.000 0.771 356 G HN 0.791 nan 8.290 nan 0.000 0.551 357 R N 0.545 121.099 120.500 0.090 0.000 2.081 357 R HA 0.027 4.368 4.340 0.002 0.000 0.235 357 R C 3.031 179.391 176.300 0.101 0.000 1.131 357 R CA 1.139 57.291 56.100 0.087 0.000 0.960 357 R CB -0.416 29.920 30.300 0.059 0.000 0.856 357 R HN 0.353 nan 8.270 nan 0.000 0.436 358 A N 0.961 123.843 122.820 0.103 0.000 1.877 358 A HA -0.199 4.122 4.320 0.002 0.000 0.216 358 A C 1.989 179.646 177.584 0.123 0.000 1.186 358 A CA 1.171 53.266 52.037 0.097 0.000 0.620 358 A CB -0.659 18.393 19.000 0.087 0.000 0.822 358 A HN 0.352 nan 8.150 nan 0.000 0.443 359 F N 0.936 120.902 119.950 0.028 0.000 2.102 359 F HA -0.101 4.427 4.527 0.002 0.000 0.298 359 F C 2.554 178.381 175.800 0.046 0.000 1.105 359 F CA 1.372 59.392 58.000 0.033 0.000 1.239 359 F CB -0.390 38.623 39.000 0.023 0.000 0.991 359 F HN 0.250 nan 8.300 nan 0.000 0.474 360 A N 0.283 123.230 122.820 0.212 0.000 1.902 360 A HA -0.098 4.223 4.320 0.002 0.000 0.217 360 A C 2.382 179.980 177.584 0.024 0.000 1.181 360 A CA 1.820 53.925 52.037 0.114 0.000 0.623 360 A CB -1.561 17.521 19.000 0.137 0.000 0.818 360 A HN 0.509 nan 8.150 nan 0.000 0.443 361 A N -1.075 121.768 122.820 0.038 0.000 1.933 361 A HA -0.152 4.169 4.320 0.002 0.000 0.218 361 A C 2.293 179.884 177.584 0.012 0.000 1.175 361 A CA 1.628 53.689 52.037 0.039 0.000 0.628 361 A CB -1.240 17.790 19.000 0.050 0.000 0.814 361 A HN 0.600 nan 8.150 nan 0.000 0.444 362 C N -1.259 118.013 119.300 -0.047 0.000 2.429 362 C HA -0.063 4.398 4.460 0.002 0.000 0.277 362 C C 2.736 177.676 174.990 -0.082 0.000 1.262 362 C CA 1.066 60.044 59.018 -0.067 0.000 1.733 362 C CB -1.222 26.437 27.740 -0.136 0.000 2.010 362 C HN 0.464 nan 8.230 nan 0.000 0.483 363 V N 1.124 120.933 119.914 -0.175 0.000 2.343 363 V HA -0.200 3.921 4.120 0.002 0.000 0.247 363 V C 2.100 178.174 176.094 -0.034 0.000 1.051 363 V CA 2.226 64.453 62.300 -0.122 0.000 1.036 363 V CB -0.701 31.036 31.823 -0.143 0.000 0.654 363 V HN 0.462 nan 8.190 nan 0.000 0.451 364 D N -0.315 120.080 120.400 -0.009 0.000 2.144 364 D HA -0.140 4.502 4.640 0.002 0.000 0.199 364 D C 2.287 178.645 176.300 0.096 0.000 0.984 364 D CA 0.908 54.914 54.000 0.009 0.000 0.834 364 D CB -0.182 40.661 40.800 0.072 0.000 0.955 364 D HN 0.363 nan 8.370 nan 0.000 0.465 365 E N 0.293 120.574 120.200 0.136 0.000 2.110 365 E HA -0.100 4.251 4.350 0.002 0.000 0.193 365 E C 2.427 179.126 176.600 0.165 0.000 0.988 365 E CA 0.273 56.788 56.400 0.193 0.000 0.804 365 E CB -0.221 29.559 29.700 0.133 0.000 0.745 365 E HN 0.390 nan 8.360 nan 0.000 0.458 366 L N 0.505 121.777 121.223 0.082 0.000 2.056 366 L HA -0.141 4.200 4.340 0.002 0.000 0.207 366 L C 2.426 179.303 176.870 0.013 0.000 1.078 366 L CA 0.899 55.758 54.840 0.031 0.000 0.749 366 L CB -0.405 41.655 42.059 0.000 0.000 0.901 366 L HN 0.021 nan 8.230 nan 0.000 0.433 367 R N -0.398 120.086 120.500 -0.028 0.000 2.081 367 R HA -0.160 4.182 4.340 0.002 0.000 0.235 367 R C 2.108 178.354 176.300 -0.089 0.000 1.131 367 R CA 1.347 57.386 56.100 -0.103 0.000 0.960 367 R CB -1.146 29.039 30.300 -0.192 0.000 0.856 367 R HN 0.308 nan 8.270 nan 0.000 0.436 368 Y N -0.218 120.092 120.300 0.017 0.000 2.181 368 Y HA -0.221 4.330 4.550 0.002 0.000 0.288 368 Y C 2.324 178.234 175.900 0.017 0.000 1.146 368 Y CA 1.056 59.167 58.100 0.020 0.000 1.164 368 Y CB -0.755 37.730 38.460 0.041 0.000 0.982 368 Y HN 0.073 nan 8.280 nan 0.000 0.515 369 Y N -0.011 120.329 120.300 0.066 0.000 2.200 369 Y HA -0.191 4.360 4.550 0.002 0.000 0.290 369 Y C 2.437 178.264 175.900 -0.121 0.000 1.137 369 Y CA 1.172 59.236 58.100 -0.061 0.000 1.163 369 Y CB -0.718 37.618 38.460 -0.206 0.000 0.988 369 Y HN 0.047 nan 8.280 nan 0.000 0.518 370 A N 0.157 122.911 122.820 -0.109 0.000 1.917 370 A HA -0.200 4.121 4.320 0.002 0.000 0.219 370 A C 2.516 180.006 177.584 -0.157 0.000 1.182 370 A CA 2.018 53.953 52.037 -0.171 0.000 0.633 370 A CB -1.753 17.181 19.000 -0.111 0.000 0.819 370 A HN 0.595 nan 8.150 nan 0.000 0.448 371 G N -0.456 108.289 108.800 -0.092 0.000 2.418 371 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 371 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 371 G C 1.666 176.541 174.900 -0.042 0.000 1.158 371 G CA 1.103 46.177 45.100 -0.044 0.000 0.771 371 G HN 0.594 nan 8.290 nan 0.000 0.545 372 K N -0.011 120.329 120.400 -0.101 0.000 2.063 372 K HA -0.038 4.283 4.320 0.002 0.000 0.208 372 K C 2.583 179.106 176.600 -0.128 0.000 1.048 372 K CA 1.149 57.365 56.287 -0.118 0.000 0.928 372 K CB -0.357 32.032 32.500 -0.186 0.000 0.713 372 K HN 0.237 nan 8.250 nan 0.000 0.442 373 V N 1.966 121.718 119.914 -0.269 0.000 2.261 373 V HA -0.224 3.897 4.120 0.002 0.000 0.246 373 V C 2.024 178.275 176.094 0.261 0.000 1.047 373 V CA 1.766 64.007 62.300 -0.099 0.000 1.015 373 V CB -0.427 31.245 31.823 -0.252 0.000 0.642 373 V HN 0.335 nan 8.190 nan 0.000 0.446 374 E N -0.234 120.060 120.200 0.155 0.000 2.204 374 E HA -0.218 4.133 4.350 0.002 0.000 0.195 374 E C 2.363 179.190 176.600 0.379 0.000 0.990 374 E CA 0.748 57.306 56.400 0.264 0.000 0.821 374 E CB -0.205 29.531 29.700 0.060 0.000 0.750 374 E HN 0.493 nan 8.360 nan 0.000 0.477 375 R N -0.244 120.409 120.500 0.255 0.000 2.200 375 R HA -0.169 4.172 4.340 0.002 0.000 0.234 375 R C 1.830 178.314 176.300 0.305 0.000 1.127 375 R CA 1.034 57.267 56.100 0.222 0.000 0.989 375 R CB -0.207 30.174 30.300 0.135 0.000 0.869 375 R HN 0.313 nan 8.270 nan 0.000 0.459 376 W N 0.087 121.498 121.300 0.185 0.000 2.388 376 W HA -0.146 4.515 4.660 0.002 0.000 0.294 376 W C 1.535 178.131 176.519 0.128 0.000 1.212 376 W CA 0.891 58.264 57.345 0.047 0.000 1.271 376 W CB -0.189 29.129 29.460 -0.237 0.000 1.126 376 W HN 0.135 nan 8.180 nan 0.000 0.535 377 W N 0.397 121.839 121.300 0.237 0.000 2.418 377 W HA -0.095 4.566 4.660 0.002 0.000 0.292 377 W C 2.089 178.625 176.519 0.028 0.000 1.213 377 W CA 1.461 58.865 57.345 0.097 0.000 1.283 377 W CB -1.002 28.554 29.460 0.160 0.000 1.119 377 W HN -0.015 nan 8.180 nan 0.000 0.542 378 E N 1.066 121.434 120.200 0.281 0.000 2.118 378 E HA -0.174 4.178 4.350 0.002 0.000 0.195 378 E C 2.091 178.724 176.600 0.055 0.000 0.992 378 E CA 1.992 58.478 56.400 0.144 0.000 0.804 378 E CB -0.427 29.351 29.700 0.129 0.000 0.741 378 E HN 0.001 nan 8.360 nan 0.000 0.458 379 A N -1.038 121.805 122.820 0.038 0.000 2.239 379 A HA 0.286 4.607 4.320 0.002 0.000 0.209 379 A C 1.731 179.205 177.584 -0.183 0.000 1.171 379 A CA 1.139 53.154 52.037 -0.036 0.000 0.768 379 A CB -0.529 18.484 19.000 0.021 0.000 0.790 379 A HN 0.523 nan 8.150 nan 0.000 0.478 380 G N -3.040 105.632 108.800 -0.214 0.000 2.336 380 G HA2 -0.198 3.763 3.960 0.002 0.000 0.194 380 G HA3 -0.198 3.763 3.960 0.002 0.000 0.194 380 G C -0.124 174.463 174.900 -0.522 0.000 0.999 380 G CA -0.327 44.557 45.100 -0.359 0.000 0.669 380 G HN 0.360 nan 8.290 nan 0.000 0.482 381 W N 1.896 122.813 121.300 -0.638 0.000 2.218 381 W HA 0.614 5.276 4.660 0.002 0.000 0.326 381 W C 0.875 177.059 176.519 -0.559 0.000 1.276 381 W CA 0.026 56.835 57.345 -0.893 0.000 1.210 381 W CB 0.718 28.909 29.460 -2.115 0.000 1.143 381 W HN -0.030 nan 8.180 nan 0.000 0.563 382 D N 1.233 121.578 120.400 -0.092 0.000 2.338 382 D HA 0.166 4.807 4.640 0.002 0.000 0.224 382 D C 0.224 176.712 176.300 0.313 0.000 0.967 382 D CA 0.904 54.984 54.000 0.134 0.000 0.896 382 D CB 0.520 41.371 40.800 0.085 0.000 1.028 382 D HN 0.142 nan 8.370 nan 0.000 0.493 383 L N 0.697 122.051 121.223 0.218 0.000 2.434 383 L HA 0.428 4.769 4.340 0.002 0.000 0.260 383 L C -1.355 175.714 176.870 0.332 0.000 0.983 383 L CA -0.988 54.050 54.840 0.330 0.000 0.820 383 L CB 2.979 45.135 42.059 0.161 0.000 1.361 383 L HN -0.152 nan 8.230 nan 0.000 0.410 384 L N 3.107 124.528 121.223 0.330 0.000 2.341 384 L HA 0.646 4.988 4.340 0.002 0.000 0.278 384 L C -1.095 175.795 176.870 0.033 0.000 1.005 384 L CA -0.195 54.727 54.840 0.136 0.000 0.818 384 L CB 1.499 43.548 42.059 -0.017 0.000 1.259 384 L HN 0.284 nan 8.230 nan 0.000 0.418 385 I N 6.815 127.386 120.570 0.002 0.000 2.378 385 I HA 0.563 4.734 4.170 0.002 0.000 0.291 385 I C -0.358 175.737 176.117 -0.038 0.000 0.992 385 I CA -0.501 60.794 61.300 -0.009 0.000 1.154 385 I CB 1.180 39.192 38.000 0.021 0.000 1.315 385 I HN 0.712 nan 8.210 nan 0.000 0.448 386 L N 4.729 125.935 121.223 -0.028 0.000 2.622 386 L HA 0.737 5.079 4.340 0.002 0.000 0.258 386 L C -3.130 173.798 176.870 0.097 0.000 0.996 386 L CA -1.992 52.849 54.840 0.002 0.000 0.858 386 L CB 2.155 44.143 42.059 -0.120 0.000 1.449 386 L HN 0.110 nan 8.230 nan 0.000 0.411 387 P HA 0.183 nan 4.420 nan 0.000 0.269 387 P C 0.106 177.524 177.300 0.197 0.000 1.209 387 P CA -0.039 63.158 63.100 0.162 0.000 0.776 387 P CB 0.869 32.655 31.700 0.143 0.000 0.876 388 T N 0.252 114.853 114.554 0.078 0.000 2.770 388 T HA 0.015 4.366 4.350 0.002 0.000 0.263 388 T C 0.932 175.671 174.700 0.064 0.000 1.039 388 T CA 1.100 63.243 62.100 0.071 0.000 1.142 388 T CB -0.210 68.657 68.868 -0.002 0.000 0.868 388 T HN 0.400 nan 8.240 nan 0.000 0.435 389 V N 0.120 120.021 119.914 -0.022 0.000 3.019 389 V HA 0.743 4.864 4.120 0.002 0.000 0.317 389 V C 0.918 176.879 176.094 -0.222 0.000 1.094 389 V CA -0.294 61.943 62.300 -0.104 0.000 1.000 389 V CB 1.637 33.403 31.823 -0.095 0.000 1.060 389 V HN 0.251 nan 8.190 nan 0.000 0.443 390 T N -1.150 113.203 114.554 -0.336 0.000 3.054 390 T HA 0.382 4.733 4.350 0.002 0.000 0.255 390 T C 0.459 175.003 174.700 -0.261 0.000 1.035 390 T CA 0.087 61.946 62.100 -0.400 0.000 0.941 390 T CB -0.307 68.236 68.868 -0.542 0.000 1.026 390 T HN 1.055 nan 8.240 nan 0.000 0.533 391 R N -0.655 119.714 120.500 -0.218 0.000 2.817 391 R HA 0.613 4.954 4.340 0.002 0.000 0.268 391 R C -1.023 175.204 176.300 -0.121 0.000 1.027 391 R CA -1.178 54.821 56.100 -0.170 0.000 0.928 391 R CB 0.734 30.910 30.300 -0.207 0.000 1.228 391 R HN -0.110 nan 8.270 nan 0.000 0.469 392 Q N 0.714 120.457 119.800 -0.094 0.000 2.454 392 Q HA 0.135 4.477 4.340 0.002 0.000 0.247 392 Q C -0.278 175.678 176.000 -0.073 0.000 1.028 392 Q CA 0.297 56.056 55.803 -0.074 0.000 0.910 392 Q CB 0.906 29.612 28.738 -0.054 0.000 1.276 392 Q HN 0.581 nan 8.270 nan 0.000 0.489 393 T N 4.417 118.934 114.554 -0.062 0.000 2.853 393 T HA 0.180 4.532 4.350 0.002 0.000 0.298 393 T C -2.004 172.674 174.700 -0.036 0.000 0.978 393 T CA -0.832 61.238 62.100 -0.051 0.000 1.152 393 T CB 0.282 69.124 68.868 -0.044 0.000 0.914 393 T HN 0.380 nan 8.240 nan 0.000 0.539 394 P HA 0.184 nan 4.420 nan 0.000 0.272 394 P C -0.181 177.113 177.300 -0.010 0.000 1.230 394 P CA -0.420 62.665 63.100 -0.026 0.000 0.788 394 P CB 0.895 32.577 31.700 -0.030 0.000 0.949 395 E N 0.811 121.008 120.200 -0.005 0.000 2.349 395 E HA 0.227 4.579 4.350 0.002 0.000 0.265 395 E C 0.329 176.933 176.600 0.007 0.000 1.064 395 E CA -0.878 55.524 56.400 0.004 0.000 0.886 395 E CB 0.448 30.151 29.700 0.005 0.000 1.036 395 E HN 0.331 nan 8.360 nan 0.000 0.413 396 I N 1.897 122.475 120.570 0.013 0.000 2.845 396 I HA -0.122 4.049 4.170 0.002 0.000 0.296 396 I C 1.583 177.709 176.117 0.016 0.000 1.216 396 I CA 1.498 62.808 61.300 0.016 0.000 1.438 396 I CB -0.322 37.690 38.000 0.020 0.000 1.342 396 I HN 0.987 nan 8.210 nan 0.000 0.577 397 G N 4.931 113.742 108.800 0.019 0.000 2.299 397 G HA2 -0.312 3.649 3.960 0.002 0.000 0.237 397 G HA3 -0.312 3.649 3.960 0.002 0.000 0.237 397 G C 1.106 176.018 174.900 0.021 0.000 1.027 397 G CA 0.437 45.551 45.100 0.023 0.000 0.619 397 G HN 0.613 nan 8.290 nan 0.000 0.513 398 E N 0.246 120.454 120.200 0.012 0.000 2.085 398 E HA -0.012 4.339 4.350 0.002 0.000 0.194 398 E C 2.373 178.978 176.600 0.009 0.000 0.994 398 E CA 1.314 57.718 56.400 0.007 0.000 0.801 398 E CB -0.197 29.501 29.700 -0.003 0.000 0.743 398 E HN 0.615 nan 8.360 nan 0.000 0.453 399 L N 0.412 121.638 121.223 0.007 0.000 2.558 399 L HA 0.091 4.433 4.340 0.002 0.000 0.225 399 L C 0.532 177.413 176.870 0.018 0.000 1.128 399 L CA -0.235 54.608 54.840 0.004 0.000 0.868 399 L CB 0.088 42.141 42.059 -0.009 0.000 1.006 399 L HN 0.170 nan 8.230 nan 0.000 0.454 400 M N 1.872 121.493 119.600 0.034 0.000 2.105 400 M HA 0.276 4.758 4.480 0.002 0.000 0.350 400 M C -0.333 176.033 176.300 0.111 0.000 1.308 400 M CA -0.007 55.329 55.300 0.061 0.000 1.108 400 M CB 0.871 33.508 32.600 0.062 0.000 1.622 400 M HN -0.017 nan 8.290 nan 0.000 0.468 401 L N 2.730 124.057 121.223 0.173 0.000 2.326 401 L HA 0.469 4.810 4.340 0.002 0.000 0.278 401 L C 0.845 177.945 176.870 0.383 0.000 1.092 401 L CA -0.765 54.234 54.840 0.265 0.000 0.810 401 L CB 0.817 43.077 42.059 0.335 0.000 1.153 401 L HN 0.743 nan 8.230 nan 0.000 0.439 402 A N 3.492 126.413 122.820 0.168 0.000 2.511 402 A HA 0.064 4.385 4.320 0.002 0.000 0.242 402 A C 1.418 178.813 177.584 -0.315 0.000 1.069 402 A CA -0.293 51.749 52.037 0.009 0.000 0.763 402 A CB 0.341 19.309 19.000 -0.054 0.000 1.001 402 A HN 0.873 nan 8.150 nan 0.000 0.498 403 K N 2.566 122.572 120.400 -0.657 0.000 2.304 403 K HA -0.216 4.106 4.320 0.002 0.000 0.204 403 K C 1.450 177.339 176.600 -1.186 0.000 1.044 403 K CA 2.358 57.637 56.287 -1.679 0.000 0.932 403 K CB -0.739 31.211 32.500 -0.916 0.000 0.735 403 K HN 0.786 nan 8.250 nan 0.000 0.468 404 G N 0.751 109.193 108.800 -0.598 0.000 2.430 404 G HA2 -0.098 3.864 3.960 0.002 0.000 0.216 404 G HA3 -0.098 3.864 3.960 0.002 0.000 0.216 404 G C 0.315 175.026 174.900 -0.314 0.000 1.146 404 G CA 0.487 45.361 45.100 -0.376 0.000 0.793 404 G HN 0.382 nan 8.290 nan 0.000 0.537 405 T N 0.728 115.116 114.554 -0.277 0.000 2.923 405 T HA 0.133 4.484 4.350 0.002 0.000 0.309 405 T C -0.296 174.392 174.700 -0.020 0.000 1.059 405 T CA 0.879 62.933 62.100 -0.077 0.000 1.133 405 T CB 0.942 69.860 68.868 0.083 0.000 1.053 405 T HN 0.345 nan 8.240 nan 0.000 0.530 406 D N 2.707 123.132 120.400 0.042 0.000 2.464 406 D HA 0.373 5.015 4.640 0.002 0.000 0.243 406 D C -0.317 176.044 176.300 0.102 0.000 1.104 406 D CA -0.791 53.252 54.000 0.072 0.000 0.883 406 D CB 0.075 40.893 40.800 0.030 0.000 1.050 406 D HN 0.303 nan 8.370 nan 0.000 0.524 407 L N 1.519 122.834 121.223 0.153 0.000 2.701 407 L HA 0.457 4.799 4.340 0.002 0.000 0.237 407 L C -0.047 176.872 176.870 0.082 0.000 1.204 407 L CA -0.846 54.060 54.840 0.109 0.000 1.109 407 L CB 0.133 42.260 42.059 0.112 0.000 1.409 407 L HN 0.192 nan 8.230 nan 0.000 0.428 408 E N 1.883 122.123 120.200 0.066 0.000 2.614 408 E HA 0.242 4.594 4.350 0.002 0.000 0.245 408 E C 1.282 177.904 176.600 0.037 0.000 1.039 408 E CA 0.839 57.269 56.400 0.050 0.000 0.948 408 E CB 0.141 29.864 29.700 0.039 0.000 0.937 408 E HN 0.819 nan 8.360 nan 0.000 0.498 409 G N 3.638 112.457 108.800 0.031 0.000 2.383 409 G HA2 -0.359 3.602 3.960 0.002 0.000 0.229 409 G HA3 -0.359 3.602 3.960 0.002 0.000 0.229 409 G C 0.460 175.371 174.900 0.018 0.000 1.089 409 G CA 0.412 45.525 45.100 0.021 0.000 0.640 409 G HN 0.546 nan 8.290 nan 0.000 0.510 410 R N 0.434 120.949 120.500 0.025 0.000 2.873 410 R HA 0.642 4.983 4.340 0.002 0.000 0.264 410 R C 0.071 176.353 176.300 -0.030 0.000 1.026 410 R CA -0.680 55.439 56.100 0.032 0.000 1.002 410 R CB 0.884 31.239 30.300 0.092 0.000 1.174 410 R HN 0.168 nan 8.270 nan 0.000 0.488 411 Q N 0.593 120.329 119.800 -0.107 0.000 2.310 411 Q HA -0.069 4.272 4.340 0.002 0.000 0.315 411 Q C 0.690 176.538 176.000 -0.254 0.000 1.081 411 Q CA 0.996 56.591 55.803 -0.347 0.000 0.981 411 Q CB 1.007 29.173 28.738 -0.953 0.000 1.184 411 Q HN 0.752 nan 8.270 nan 0.000 0.389 412 S N 2.178 117.725 115.700 -0.255 0.000 2.419 412 S HA -0.165 4.306 4.470 0.002 0.000 0.233 412 S C 1.600 176.120 174.600 -0.133 0.000 1.016 412 S CA 0.771 58.874 58.200 -0.162 0.000 0.974 412 S CB -0.250 62.826 63.200 -0.206 0.000 0.786 412 S HN 0.646 nan 8.310 nan 0.000 0.492 413 A N 0.336 123.013 122.820 -0.238 0.000 2.167 413 A HA 0.320 4.641 4.320 0.002 0.000 0.214 413 A C 1.118 178.772 177.584 0.117 0.000 1.151 413 A CA 0.399 52.361 52.037 -0.126 0.000 0.735 413 A CB -0.591 18.289 19.000 -0.200 0.000 0.802 413 A HN 0.535 nan 8.150 nan 0.000 0.467 414 F N 0.068 120.001 119.950 -0.029 0.000 2.645 414 F HA 0.341 4.869 4.527 0.002 0.000 0.300 414 F C 0.548 176.331 175.800 -0.029 0.000 1.115 414 F CA -1.593 56.392 58.000 -0.025 0.000 1.355 414 F CB -0.596 38.388 39.000 -0.026 0.000 1.026 414 F HN 0.239 nan 8.300 nan 0.000 0.536 415 I N -3.253 117.397 120.570 0.133 0.000 2.693 415 I HA 0.561 4.732 4.170 0.002 0.000 0.303 415 I C 1.304 177.436 176.117 0.026 0.000 1.025 415 I CA -0.583 60.759 61.300 0.070 0.000 1.086 415 I CB 1.811 39.842 38.000 0.051 0.000 1.268 415 I HN 0.064 nan 8.210 nan 0.000 0.440 416 S N 4.032 119.738 115.700 0.011 0.000 4.087 416 S HA -0.378 4.094 4.470 0.002 0.000 0.538 416 S C 1.661 176.211 174.600 -0.084 0.000 0.945 416 S CA 1.761 59.944 58.200 -0.027 0.000 3.411 416 S CB -2.357 60.837 63.200 -0.012 0.000 2.332 416 S HN 1.443 nan 8.310 nan 0.000 0.465 417 G N 0.521 109.281 108.800 -0.068 0.000 2.450 417 G HA2 -0.022 3.939 3.960 0.002 0.000 0.220 417 G HA3 -0.022 3.939 3.960 0.002 0.000 0.220 417 G C 1.558 176.401 174.900 -0.094 0.000 1.130 417 G CA 1.405 46.451 45.100 -0.090 0.000 0.760 417 G HN 0.778 nan 8.290 nan 0.000 0.557 418 S N -0.124 115.544 115.700 -0.053 0.000 2.406 418 S HA 0.017 4.488 4.470 0.002 0.000 0.224 418 S C 2.084 176.669 174.600 -0.024 0.000 1.030 418 S CA 0.543 58.725 58.200 -0.030 0.000 0.958 418 S CB -0.143 63.056 63.200 -0.001 0.000 0.811 418 S HN 0.253 nan 8.310 nan 0.000 0.489 419 L N 2.440 123.649 121.223 -0.022 0.000 2.043 419 L HA -0.150 4.191 4.340 0.002 0.000 0.212 419 L C 2.066 178.849 176.870 -0.145 0.000 1.075 419 L CA 1.868 56.698 54.840 -0.017 0.000 0.752 419 L CB -0.753 41.304 42.059 -0.002 0.000 0.891 419 L HN 0.282 nan 8.230 nan 0.000 0.432 420 Q N -1.566 118.024 119.800 -0.350 0.000 2.364 420 Q HA -0.148 4.193 4.340 0.002 0.000 0.207 420 Q C 1.927 177.738 176.000 -0.315 0.000 0.970 420 Q CA 1.147 56.602 55.803 -0.581 0.000 0.888 420 Q CB -0.081 28.204 28.738 -0.756 0.000 0.951 420 Q HN 0.531 nan 8.270 nan 0.000 0.469 421 M N 0.022 119.518 119.600 -0.172 0.000 2.288 421 M HA -0.052 4.430 4.480 0.002 0.000 0.266 421 M C 1.716 177.994 176.300 -0.037 0.000 1.072 421 M CA 1.110 56.351 55.300 -0.098 0.000 1.132 421 M CB -0.442 32.126 32.600 -0.053 0.000 1.386 421 M HN 0.218 nan 8.290 nan 0.000 0.432 422 L N -3.176 118.052 121.223 0.007 0.000 2.766 422 L HA 0.553 4.894 4.340 0.002 0.000 0.242 422 L C 2.005 178.936 176.870 0.103 0.000 1.136 422 L CA 0.285 55.168 54.840 0.073 0.000 0.933 422 L CB -1.479 40.656 42.059 0.127 0.000 1.241 422 L HN -0.008 nan 8.230 nan 0.000 0.522 423 A N 0.143 123.025 122.820 0.103 0.000 1.940 423 A HA -0.079 4.242 4.320 0.002 0.000 0.219 423 A C 1.787 179.622 177.584 0.417 0.000 1.176 423 A CA 1.713 53.886 52.037 0.227 0.000 0.631 423 A CB -0.782 18.439 19.000 0.369 0.000 0.814 423 A HN 0.398 nan 8.150 nan 0.000 0.446 424 F N 0.126 120.124 119.950 0.080 0.000 2.765 424 F HA 0.087 4.615 4.527 0.002 0.000 0.302 424 F C 2.282 178.181 175.800 0.165 0.000 1.111 424 F CA 0.948 59.007 58.000 0.097 0.000 1.359 424 F CB -0.540 38.510 39.000 0.084 0.000 1.097 424 F HN 0.390 nan 8.300 nan 0.000 0.577 425 T N -4.932 109.791 114.554 0.282 0.000 3.038 425 T HA 0.046 4.398 4.350 0.002 0.000 0.244 425 T C 1.965 176.734 174.700 0.115 0.000 1.016 425 T CA 0.723 62.964 62.100 0.235 0.000 1.098 425 T CB -0.703 68.249 68.868 0.140 0.000 0.954 425 T HN -0.026 nan 8.240 nan 0.000 0.469 426 V N 3.168 123.111 119.914 0.049 0.000 2.469 426 V HA -0.008 4.113 4.120 0.002 0.000 0.251 426 V C -0.867 175.103 176.094 -0.208 0.000 1.064 426 V CA 1.569 63.846 62.300 -0.040 0.000 1.066 426 V CB -0.870 30.954 31.823 0.002 0.000 0.667 426 V HN 0.326 nan 8.190 nan 0.000 0.461 427 P HA -0.109 nan 4.420 nan 0.000 0.218 427 P C 1.132 177.964 177.300 -0.780 0.000 1.148 427 P CA 1.557 64.281 63.100 -0.627 0.000 0.822 427 P CB -0.145 31.093 31.700 -0.770 0.000 0.784 428 F N -1.431 118.452 119.950 -0.112 0.000 2.710 428 F HA 0.068 4.597 4.527 0.002 0.000 0.298 428 F C 1.716 177.405 175.800 -0.185 0.000 1.137 428 F CA 0.586 58.493 58.000 -0.154 0.000 1.444 428 F CB -1.403 37.505 39.000 -0.154 0.000 1.111 428 F HN -0.088 nan 8.300 nan 0.000 0.580 429 N N -0.079 118.545 118.700 -0.127 0.000 2.250 429 N HA -0.084 4.658 4.740 0.002 0.000 0.181 429 N C 1.888 177.354 175.510 -0.072 0.000 1.017 429 N CA 0.761 53.760 53.050 -0.086 0.000 0.866 429 N CB -0.162 38.274 38.487 -0.085 0.000 0.985 429 N HN 0.002 nan 8.380 nan 0.000 0.429 430 V N 0.379 120.145 119.914 -0.248 0.000 2.379 430 V HA -0.164 3.957 4.120 0.002 0.000 0.245 430 V C 2.267 178.270 176.094 -0.152 0.000 1.044 430 V CA 1.926 64.064 62.300 -0.269 0.000 1.036 430 V CB -0.616 30.919 31.823 -0.480 0.000 0.664 430 V HN 0.460 nan 8.190 nan 0.000 0.453 431 S N -0.010 115.610 115.700 -0.135 0.000 2.436 431 S HA 0.143 4.614 4.470 0.002 0.000 0.228 431 S C 1.790 176.429 174.600 0.065 0.000 1.014 431 S CA 1.010 59.171 58.200 -0.065 0.000 0.950 431 S CB 0.274 63.428 63.200 -0.076 0.000 0.784 431 S HN 1.215 nan 8.310 nan 0.000 0.504 432 G N 0.585 109.444 108.800 0.099 0.000 2.159 432 G HA2 -0.259 3.702 3.960 0.002 0.000 0.256 432 G HA3 -0.259 3.702 3.960 0.002 0.000 0.256 432 G C -0.147 174.794 174.900 0.069 0.000 0.977 432 G CA 0.217 45.452 45.100 0.224 0.000 0.652 432 G HN 0.636 nan 8.290 nan 0.000 0.531 433 Q N 1.263 121.067 119.800 0.007 0.000 2.373 433 Q HA 0.398 4.739 4.340 0.002 0.000 0.255 433 Q C -2.035 173.835 176.000 -0.217 0.000 0.980 433 Q CA -1.374 54.334 55.803 -0.160 0.000 0.882 433 Q CB 1.065 29.637 28.738 -0.276 0.000 1.249 433 Q HN 0.295 nan 8.270 nan 0.000 0.438 434 P HA 0.103 nan 4.420 nan 0.000 0.271 434 P C -1.524 175.628 177.300 -0.247 0.000 1.220 434 P CA 0.079 63.036 63.100 -0.239 0.000 0.768 434 P CB 0.868 32.437 31.700 -0.218 0.000 0.848 435 A N 4.474 127.151 122.820 -0.239 0.000 2.427 435 A HA 0.677 4.998 4.320 0.002 0.000 0.298 435 A C -1.156 176.310 177.584 -0.197 0.000 1.036 435 A CA -0.746 51.143 52.037 -0.247 0.000 0.701 435 A CB 1.155 19.984 19.000 -0.284 0.000 1.250 435 A HN 0.589 nan 8.150 nan 0.000 0.412 436 I N 1.480 121.950 120.570 -0.167 0.000 2.569 436 I HA 0.634 4.805 4.170 0.002 0.000 0.296 436 I C -0.181 175.860 176.117 -0.126 0.000 1.028 436 I CA -0.413 60.800 61.300 -0.144 0.000 1.082 436 I CB 2.126 40.057 38.000 -0.116 0.000 1.264 436 I HN 0.573 nan 8.210 nan 0.000 0.429 437 S N 7.317 122.937 115.700 -0.133 0.000 2.437 437 S HA 0.638 5.109 4.470 0.002 0.000 0.305 437 S C -0.873 173.620 174.600 -0.178 0.000 1.109 437 S CA -0.654 57.469 58.200 -0.128 0.000 1.099 437 S CB 0.553 63.688 63.200 -0.108 0.000 1.004 437 S HN 0.481 nan 8.310 nan 0.000 0.475 438 L N 6.564 127.660 121.223 -0.212 0.000 2.329 438 L HA 0.518 4.859 4.340 0.002 0.000 0.279 438 L C -1.966 174.610 176.870 -0.490 0.000 1.014 438 L CA -2.338 52.264 54.840 -0.396 0.000 0.814 438 L CB 2.115 44.022 42.059 -0.253 0.000 1.257 438 L HN 0.518 nan 8.230 nan 0.000 0.424 439 P HA 0.136 nan 4.420 nan 0.000 0.226 439 P C 0.657 177.710 177.300 -0.412 0.000 1.783 439 P CA 0.177 62.906 63.100 -0.619 0.000 0.980 439 P CB 0.058 31.327 31.700 -0.717 0.000 1.967 440 I N -0.574 119.871 120.570 -0.207 0.000 2.852 440 I HA 0.082 4.253 4.170 0.002 0.000 0.264 440 I C 1.501 177.630 176.117 0.020 0.000 1.179 440 I CA 0.587 61.897 61.300 0.018 0.000 1.480 440 I CB 0.007 38.039 38.000 0.054 0.000 1.111 440 I HN 0.180 nan 8.210 nan 0.000 0.441 441 G N 0.505 109.275 108.800 -0.050 0.000 2.537 441 G HA2 0.703 4.664 3.960 0.002 0.000 0.323 441 G HA3 0.703 4.664 3.960 0.002 0.000 0.323 441 G C -0.749 174.095 174.900 -0.095 0.000 1.207 441 G CA -0.371 44.702 45.100 -0.044 0.000 0.976 441 G HN -0.191 nan 8.290 nan 0.000 0.487 442 M N 0.851 120.407 119.600 -0.073 0.000 2.378 442 M HA 0.322 4.803 4.480 0.002 0.000 0.289 442 M C 0.235 176.496 176.300 -0.065 0.000 1.136 442 M CA -0.863 54.376 55.300 -0.103 0.000 0.917 442 M CB 1.827 34.388 32.600 -0.065 0.000 1.669 442 M HN 0.738 nan 8.290 nan 0.000 0.461 443 S N 0.836 116.490 115.700 -0.076 0.000 2.624 443 S HA 0.271 4.742 4.470 0.002 0.000 0.263 443 S C 1.165 175.753 174.600 -0.020 0.000 1.287 443 S CA 0.143 58.316 58.200 -0.046 0.000 0.990 443 S CB 0.664 63.833 63.200 -0.052 0.000 0.950 443 S HN 0.763 nan 8.310 nan 0.000 0.561 444 S N -0.132 115.563 115.700 -0.009 0.000 2.474 444 S HA -0.113 4.358 4.470 0.002 0.000 0.235 444 S C 0.745 175.351 174.600 0.010 0.000 0.997 444 S CA 0.820 59.022 58.200 0.004 0.000 0.949 444 S CB -0.728 62.474 63.200 0.005 0.000 0.766 444 S HN 0.905 nan 8.310 nan 0.000 0.517 445 D N 0.040 120.444 120.400 0.006 0.000 2.525 445 D HA 0.312 4.954 4.640 0.002 0.000 0.229 445 D C 1.108 177.426 176.300 0.031 0.000 1.202 445 D CA 0.069 54.080 54.000 0.018 0.000 0.828 445 D CB -0.468 40.340 40.800 0.013 0.000 1.008 445 D HN 0.447 nan 8.370 nan 0.000 0.493 446 G N 0.585 109.403 108.800 0.029 0.000 2.143 446 G HA2 -0.255 3.706 3.960 0.002 0.000 0.248 446 G HA3 -0.255 3.706 3.960 0.002 0.000 0.248 446 G C 0.021 174.936 174.900 0.025 0.000 0.991 446 G CA 0.253 45.388 45.100 0.058 0.000 0.689 446 G HN 0.284 nan 8.290 nan 0.000 0.522 447 M N 0.189 119.755 119.600 -0.058 0.000 2.300 447 M HA 0.391 4.872 4.480 0.002 0.000 0.348 447 M C -2.356 173.761 176.300 -0.305 0.000 1.151 447 M CA -3.069 52.139 55.300 -0.154 0.000 1.046 447 M CB 0.885 33.433 32.600 -0.087 0.000 1.647 447 M HN -0.163 nan 8.290 nan 0.000 0.451 448 P HA 0.234 nan 4.420 nan 0.000 0.266 448 P C -0.746 176.374 177.300 -0.299 0.000 1.195 448 P CA 0.247 63.019 63.100 -0.546 0.000 0.768 448 P CB 0.438 31.660 31.700 -0.797 0.000 0.838 449 I N 2.121 122.555 120.570 -0.228 0.000 2.439 449 I HA 0.378 4.549 4.170 0.002 0.000 0.285 449 I C 0.755 176.787 176.117 -0.141 0.000 1.021 449 I CA -0.544 60.666 61.300 -0.150 0.000 1.091 449 I CB 1.996 39.934 38.000 -0.103 0.000 1.242 449 I HN 0.344 nan 8.210 nan 0.000 0.439 450 G N 5.210 113.934 108.800 -0.126 0.000 2.448 450 G HA2 0.561 4.522 3.960 0.002 0.000 0.285 450 G HA3 0.561 4.522 3.960 0.002 0.000 0.285 450 G C -0.715 174.139 174.900 -0.077 0.000 1.176 450 G CA -0.289 44.736 45.100 -0.125 0.000 0.852 450 G HN 0.321 nan 8.290 nan 0.000 0.530 451 V N 1.293 121.159 119.914 -0.081 0.000 2.417 451 V HA 0.369 4.491 4.120 0.002 0.000 0.291 451 V C 0.075 176.141 176.094 -0.047 0.000 1.024 451 V CA -0.645 61.633 62.300 -0.037 0.000 0.861 451 V CB 1.439 33.250 31.823 -0.020 0.000 0.985 451 V HN 0.831 nan 8.190 nan 0.000 0.436 452 Q N 4.064 123.849 119.800 -0.025 0.000 2.245 452 Q HA 0.597 4.938 4.340 0.002 0.000 0.256 452 Q C -1.483 174.475 176.000 -0.070 0.000 0.942 452 Q CA -0.662 55.109 55.803 -0.053 0.000 0.896 452 Q CB 1.571 30.291 28.738 -0.031 0.000 1.272 452 Q HN 0.585 nan 8.270 nan 0.000 0.442 453 I N 3.735 124.248 120.570 -0.095 0.000 2.498 453 I HA 0.410 4.582 4.170 0.002 0.000 0.290 453 I C -0.728 175.306 176.117 -0.138 0.000 1.032 453 I CA -0.825 60.428 61.300 -0.078 0.000 1.073 453 I CB 1.579 39.556 38.000 -0.037 0.000 1.251 453 I HN 0.366 nan 8.210 nan 0.000 0.426 454 V N 4.641 124.486 119.914 -0.114 0.000 2.487 454 V HA 0.840 4.961 4.120 0.002 0.000 0.298 454 V C 0.306 176.465 176.094 0.108 0.000 1.028 454 V CA -0.546 61.645 62.300 -0.183 0.000 0.860 454 V CB 1.615 33.134 31.823 -0.507 0.000 0.991 454 V HN 0.933 nan 8.190 nan 0.000 0.427 455 A N 3.384 126.183 122.820 -0.034 0.000 2.309 455 A HA 0.992 5.313 4.320 0.002 0.000 0.317 455 A C 0.339 177.729 177.584 -0.324 0.000 1.134 455 A CA -0.221 51.850 52.037 0.058 0.000 0.866 455 A CB 1.193 20.208 19.000 0.026 0.000 1.329 455 A HN 1.378 nan 8.150 nan 0.000 0.477 456 A N -0.728 121.939 122.820 -0.255 0.000 2.406 456 A HA 0.418 4.740 4.320 0.002 0.000 0.243 456 A C -0.062 177.406 177.584 -0.192 0.000 1.082 456 A CA -0.118 51.678 52.037 -0.401 0.000 0.786 456 A CB -0.383 18.617 19.000 -0.000 0.000 1.029 456 A HN 1.112 nan 8.150 nan 0.000 0.495 457 Y N 0.849 120.992 120.300 -0.262 0.000 2.865 457 Y HA 0.189 4.740 4.550 0.002 0.000 0.338 457 Y C 1.586 177.446 175.900 -0.066 0.000 1.269 457 Y CA 1.720 59.733 58.100 -0.146 0.000 1.585 457 Y CB 0.007 38.406 38.460 -0.102 0.000 1.224 457 Y HN 1.474 nan 8.280 nan 0.000 0.554 458 G N 4.599 113.227 108.800 -0.287 0.000 2.184 458 G HA2 -0.293 3.668 3.960 0.002 0.000 0.264 458 G HA3 -0.293 3.668 3.960 0.002 0.000 0.264 458 G C 0.592 175.483 174.900 -0.015 0.000 0.975 458 G CA 0.156 45.181 45.100 -0.125 0.000 0.642 458 G HN 0.533 nan 8.290 nan 0.000 0.536 459 R N 0.506 120.990 120.500 -0.026 0.000 3.782 459 R HA 0.371 4.712 4.340 0.002 0.000 0.291 459 R C 1.261 177.573 176.300 0.020 0.000 1.539 459 R CA -0.136 55.982 56.100 0.029 0.000 1.345 459 R CB 0.037 30.363 30.300 0.043 0.000 1.408 459 R HN 0.491 nan 8.270 nan 0.000 0.654 460 E N 0.899 121.099 120.200 0.000 0.000 2.204 460 E HA -0.187 4.164 4.350 0.002 0.000 0.195 460 E C 1.420 178.045 176.600 0.043 0.000 0.990 460 E CA 1.560 57.908 56.400 -0.087 0.000 0.821 460 E CB 0.142 29.629 29.700 -0.355 0.000 0.750 460 E HN 0.449 nan 8.360 nan 0.000 0.477 461 D N 0.754 121.297 120.400 0.239 0.000 2.104 461 D HA -0.224 4.417 4.640 0.002 0.000 0.194 461 D C 1.921 178.303 176.300 0.136 0.000 0.994 461 D CA 1.086 55.242 54.000 0.259 0.000 0.830 461 D CB -0.571 40.355 40.800 0.209 0.000 0.959 461 D HN 0.270 nan 8.370 nan 0.000 0.452 462 L N -0.435 120.849 121.223 0.101 0.000 2.056 462 L HA -0.108 4.233 4.340 0.002 0.000 0.207 462 L C 2.777 179.685 176.870 0.063 0.000 1.078 462 L CA 0.436 55.326 54.840 0.083 0.000 0.749 462 L CB -0.436 41.673 42.059 0.084 0.000 0.901 462 L HN 0.055 nan 8.230 nan 0.000 0.433 463 L N 0.096 121.342 121.223 0.039 0.000 2.012 463 L HA -0.223 4.119 4.340 0.002 0.000 0.210 463 L C 2.318 179.198 176.870 0.017 0.000 1.073 463 L CA 1.832 56.678 54.840 0.010 0.000 0.748 463 L CB -0.418 41.618 42.059 -0.038 0.000 0.891 463 L HN 0.109 nan 8.230 nan 0.000 0.431 464 L N -1.315 119.921 121.223 0.021 0.000 2.201 464 L HA -0.189 4.152 4.340 0.002 0.000 0.212 464 L C 2.555 179.467 176.870 0.070 0.000 1.105 464 L CA 0.931 55.795 54.840 0.039 0.000 0.775 464 L CB -0.481 41.602 42.059 0.040 0.000 0.913 464 L HN 0.409 nan 8.230 nan 0.000 0.440 465 Q N -0.579 119.269 119.800 0.079 0.000 2.046 465 Q HA -0.153 4.188 4.340 0.002 0.000 0.200 465 Q C 2.349 178.402 176.000 0.089 0.000 0.975 465 Q CA 1.402 57.257 55.803 0.086 0.000 0.836 465 Q CB -0.056 28.737 28.738 0.091 0.000 0.896 465 Q HN 0.317 nan 8.270 nan 0.000 0.428 466 V N 0.660 120.619 119.914 0.075 0.000 2.548 466 V HA -0.197 3.925 4.120 0.002 0.000 0.249 466 V C 2.128 178.269 176.094 0.077 0.000 1.055 466 V CA 1.523 63.862 62.300 0.066 0.000 1.065 466 V CB -0.796 31.023 31.823 -0.008 0.000 0.681 466 V HN 0.372 nan 8.190 nan 0.000 0.462 467 A N 0.249 123.115 122.820 0.076 0.000 1.933 467 A HA -0.089 4.232 4.320 0.002 0.000 0.218 467 A C 2.428 180.097 177.584 0.142 0.000 1.175 467 A CA 1.916 54.019 52.037 0.109 0.000 0.628 467 A CB -0.663 18.392 19.000 0.092 0.000 0.814 467 A HN 0.546 nan 8.150 nan 0.000 0.444 468 A N -0.511 122.374 122.820 0.108 0.000 1.933 468 A HA -0.204 4.117 4.320 0.002 0.000 0.218 468 A C 2.111 179.739 177.584 0.074 0.000 1.175 468 A CA 1.597 53.686 52.037 0.086 0.000 0.628 468 A CB -0.541 18.502 19.000 0.071 0.000 0.814 468 A HN 0.672 nan 8.150 nan 0.000 0.444 469 Q N -0.475 119.381 119.800 0.093 0.000 2.079 469 Q HA -0.050 4.291 4.340 0.002 0.000 0.200 469 Q C 2.031 178.090 176.000 0.098 0.000 0.974 469 Q CA 1.298 57.158 55.803 0.095 0.000 0.840 469 Q CB -0.306 28.515 28.738 0.138 0.000 0.898 469 Q HN 0.654 nan 8.270 nan 0.000 0.430 470 L N 0.593 121.891 121.223 0.125 0.000 2.141 470 L HA -0.160 4.181 4.340 0.002 0.000 0.209 470 L C 2.456 179.430 176.870 0.172 0.000 1.094 470 L CA 0.956 55.889 54.840 0.154 0.000 0.763 470 L CB -0.282 41.883 42.059 0.176 0.000 0.908 470 L HN 0.315 nan 8.230 nan 0.000 0.437 471 E N 0.210 120.493 120.200 0.138 0.000 2.153 471 E HA -0.182 4.170 4.350 0.002 0.000 0.194 471 E C 2.074 178.572 176.600 -0.169 0.000 0.988 471 E CA 1.146 57.477 56.400 -0.115 0.000 0.811 471 E CB -0.017 29.572 29.700 -0.185 0.000 0.746 471 E HN 0.464 nan 8.360 nan 0.000 0.466 472 G N 0.014 108.783 108.800 -0.052 0.000 2.494 472 G HA2 -0.031 3.930 3.960 0.002 0.000 0.216 472 G HA3 -0.031 3.930 3.960 0.002 0.000 0.216 472 G C 1.506 176.402 174.900 -0.007 0.000 1.140 472 G CA 0.504 45.578 45.100 -0.044 0.000 0.801 472 G HN 0.348 nan 8.290 nan 0.000 0.536 473 A N 0.021 122.860 122.820 0.032 0.000 1.975 473 A HA 0.447 4.768 4.320 0.002 0.000 0.215 473 A C 1.328 178.949 177.584 0.062 0.000 1.170 473 A CA 0.490 52.558 52.037 0.051 0.000 0.656 473 A CB -0.014 19.030 19.000 0.074 0.000 0.821 473 A HN 0.283 nan 8.150 nan 0.000 0.449 474 L N 1.270 122.546 121.223 0.087 0.000 2.783 474 L HA 0.255 4.596 4.340 0.002 0.000 0.265 474 L C -2.605 174.352 176.870 0.145 0.000 1.398 474 L CA -1.705 53.211 54.840 0.127 0.000 0.802 474 L CB 0.954 43.116 42.059 0.172 0.000 1.126 474 L HN 0.093 nan 8.230 nan 0.000 0.529 475 P HA -0.127 nan 4.420 nan 0.000 0.264 475 P C -0.281 177.047 177.300 0.048 0.000 1.179 475 P CA 0.365 63.377 63.100 -0.147 0.000 0.763 475 P CB 0.538 32.158 31.700 -0.135 0.000 0.806 476 W N 1.934 123.296 121.300 0.104 0.000 2.868 476 W HA 0.251 4.912 4.660 0.002 0.000 0.320 476 W C 1.360 178.007 176.519 0.213 0.000 1.076 476 W CA -0.143 57.286 57.345 0.140 0.000 1.576 476 W CB -1.308 28.226 29.460 0.123 0.000 1.030 476 W HN 0.105 nan 8.180 nan 0.000 0.558 477 V N 2.694 122.623 119.914 0.024 0.000 2.546 477 V HA -0.276 3.845 4.120 0.002 0.000 0.254 477 V C 2.317 178.675 176.094 0.440 0.000 1.076 477 V CA 2.917 65.363 62.300 0.243 0.000 1.087 477 V CB -0.687 31.138 31.823 0.003 0.000 0.674 477 V HN 0.325 nan 8.190 nan 0.000 0.470 478 A N -0.162 122.824 122.820 0.277 0.000 2.015 478 A HA -0.027 4.294 4.320 0.002 0.000 0.219 478 A C 1.517 179.239 177.584 0.230 0.000 1.163 478 A CA 0.631 52.800 52.037 0.220 0.000 0.646 478 A CB -0.294 18.791 19.000 0.142 0.000 0.806 478 A HN 0.626 nan 8.150 nan 0.000 0.448 479 R N 0.203 120.910 120.500 0.345 0.000 2.357 479 R HA 0.547 4.888 4.340 0.002 0.000 0.296 479 R C -0.605 175.913 176.300 0.364 0.000 1.052 479 R CA -0.094 56.227 56.100 0.369 0.000 0.988 479 R CB 0.749 31.339 30.300 0.482 0.000 1.025 479 R HN 0.339 nan 8.270 nan 0.000 0.469 480 R N 2.478 122.997 120.500 0.030 0.000 2.725 480 R HA 0.384 4.726 4.340 0.002 0.000 0.277 480 R C -2.539 173.259 176.300 -0.838 0.000 0.987 480 R CA -2.086 53.743 56.100 -0.453 0.000 0.901 480 R CB 2.172 32.036 30.300 -0.727 0.000 1.207 480 R HN 0.446 nan 8.270 nan 0.000 0.463 481 P HA -0.006 nan 4.420 nan 0.000 0.272 481 P C -0.103 176.827 177.300 -0.617 0.000 1.223 481 P CA -0.215 61.995 63.100 -1.484 0.000 0.784 481 P CB 0.850 31.605 31.700 -1.575 0.000 0.923 482 Q N 1.007 120.597 119.800 -0.350 0.000 2.234 482 Q HA -0.130 4.211 4.340 0.002 0.000 0.206 482 Q C 1.793 177.688 176.000 -0.174 0.000 0.980 482 Q CA 0.944 56.636 55.803 -0.184 0.000 0.869 482 Q CB -0.789 27.904 28.738 -0.075 0.000 0.912 482 Q HN 0.406 nan 8.270 nan 0.000 0.436 483 L N 0.057 121.159 121.223 -0.201 0.000 2.129 483 L HA -0.156 4.185 4.340 0.002 0.000 0.212 483 L C 1.137 177.928 176.870 -0.132 0.000 1.087 483 L CA 1.401 56.155 54.840 -0.142 0.000 0.757 483 L CB -0.194 41.781 42.059 -0.141 0.000 0.896 483 L HN 0.107 nan 8.230 nan 0.000 0.434 484 L N 0.625 121.731 121.223 -0.195 0.000 2.851 484 L HA 0.265 4.606 4.340 0.002 0.000 0.237 484 L C 0.180 176.940 176.870 -0.183 0.000 1.257 484 L CA -0.264 54.472 54.840 -0.174 0.000 1.061 484 L CB -1.467 40.430 42.059 -0.271 0.000 1.372 484 L HN 0.351 nan 8.230 nan 0.000 0.493 485 N N 0.000 118.614 118.700 -0.144 0.000 1.763 485 N HA 0.000 4.741 4.740 0.002 0.000 0.220 485 N CA 0.000 52.980 53.050 -0.116 0.000 0.885 485 N CB 0.000 38.430 38.487 -0.095 0.000 1.341 485 N HN 0.000 nan 8.380 nan 0.000 0.667