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 3ii0_1_D DATA FIRST_RESID 13 DATA SEQUENCE MQPVLVFKLT ADFREDPDPR KVNLGVGAYR TDDCHPWVLP VVKKVEQKIA DATA SEQUENCE NDNSLNHEYL PILGLAEFRS CASRLALGDD SPALKEKRVG GVQSLGGTGA DATA SEQUENCE LRIGADFLAR WYNGTNNKNT PVYVSSPTWE NHNAVFSAAG FKDIRSYRYW DATA SEQUENCE DAEKRGLDLQ GFLNDLENAP EFSIVVLHAC AHNPTGIDPT PEQWKQIASV DATA SEQUENCE MKHRFLFPFF DSAYQGFASG NLERDAWAIR YFVSEGFEFF CAQSFSKNFG DATA SEQUENCE LYNERVGNLT VVGKEPESIL QVLSQMEKIV RITWSNPPAQ GARIVASTLS DATA SEQUENCE NPELFEEWTG NVKTMADRIL TMRSELRARL EALKTPGTWN HITDQIGMFS DATA SEQUENCE FTGLNPKQVE YLVNEKHIYL LPSGRINVSG LTTKNLDYVA TSIHEAVTKI DATA SEQUENCE AENLYFQ 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 13 M HA 0.000 nan 4.480 nan 0.000 0.227 13 M C 0.000 176.288 176.300 -0.020 0.000 1.140 13 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 13 M CB 0.000 32.607 32.600 0.011 0.000 1.302 14 Q N 4.554 124.329 119.800 -0.040 0.000 2.361 14 Q HA 0.218 4.557 4.340 -0.001 0.000 0.276 14 Q C -1.477 174.485 176.000 -0.063 0.000 1.022 14 Q CA -0.828 54.930 55.803 -0.075 0.000 0.898 14 Q CB 0.568 29.254 28.738 -0.087 0.000 1.246 14 Q HN 0.450 nan 8.270 nan 0.000 0.410 15 P HA 0.022 nan 4.420 nan 0.000 0.261 15 P C 0.284 177.497 177.300 -0.145 0.000 1.352 15 P CA 0.329 63.331 63.100 -0.164 0.000 0.891 15 P CB 0.234 31.821 31.700 -0.188 0.000 1.383 16 V N -3.414 116.467 119.914 -0.055 0.000 3.177 16 V HA 0.195 4.315 4.120 -0.001 0.000 0.342 16 V C 1.777 177.871 176.094 -0.000 0.000 1.379 16 V CA -0.228 62.083 62.300 0.018 0.000 1.191 16 V CB -0.831 31.055 31.823 0.104 0.000 1.167 16 V HN -0.071 nan 8.190 nan 0.000 0.471 17 L N -0.079 121.106 121.223 -0.064 0.000 1.994 17 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 17 L C 2.507 179.356 176.870 -0.036 0.000 1.071 17 L CA 2.240 57.058 54.840 -0.037 0.000 0.745 17 L CB -0.087 41.940 42.059 -0.055 0.000 0.892 17 L HN 0.280 nan 8.230 nan 0.000 0.431 18 V N -0.550 119.284 119.914 -0.135 0.000 2.490 18 V HA -0.293 3.826 4.120 -0.001 0.000 0.250 18 V C 2.089 178.158 176.094 -0.043 0.000 1.061 18 V CA 1.973 64.194 62.300 -0.132 0.000 1.064 18 V CB -0.451 31.238 31.823 -0.224 0.000 0.670 18 V HN 0.478 nan 8.190 nan 0.000 0.461 19 F N -0.371 119.616 119.950 0.061 0.000 2.367 19 F HA -0.011 4.514 4.527 -0.003 0.000 0.298 19 F C 2.323 178.151 175.800 0.046 0.000 1.094 19 F CA 0.999 59.032 58.000 0.055 0.000 1.409 19 F CB -0.137 38.896 39.000 0.055 0.000 1.064 19 F HN 0.117 nan 8.300 nan 0.000 0.528 20 K N 1.411 121.930 120.400 0.197 0.000 2.097 20 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 20 K C 1.868 178.541 176.600 0.123 0.000 1.050 20 K CA 1.186 57.554 56.287 0.135 0.000 0.938 20 K CB -0.624 31.936 32.500 0.098 0.000 0.718 20 K HN 0.237 nan 8.250 nan 0.000 0.442 21 L N 0.297 121.594 121.223 0.122 0.000 2.017 21 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 21 L C 1.962 178.875 176.870 0.072 0.000 1.073 21 L CA 1.966 56.890 54.840 0.140 0.000 0.745 21 L CB -0.643 41.502 42.059 0.143 0.000 0.894 21 L HN 0.312 nan 8.230 nan 0.000 0.432 22 T N -0.265 114.346 114.554 0.097 0.000 2.708 22 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 22 T C 1.909 176.675 174.700 0.111 0.000 1.037 22 T CA 1.312 63.472 62.100 0.100 0.000 1.146 22 T CB -0.247 68.710 68.868 0.147 0.000 0.865 22 T HN 0.478 nan 8.240 nan 0.000 0.435 23 A N 1.927 124.807 122.820 0.099 0.000 1.908 23 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 23 A C 2.109 179.708 177.584 0.025 0.000 1.181 23 A CA 1.840 53.915 52.037 0.063 0.000 0.627 23 A CB -0.678 18.361 19.000 0.065 0.000 0.818 23 A HN 0.354 nan 8.150 nan 0.000 0.445 24 D N -0.950 119.465 120.400 0.026 0.000 2.084 24 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 24 D C 1.634 177.834 176.300 -0.167 0.000 0.990 24 D CA 1.482 55.487 54.000 0.009 0.000 0.826 24 D CB -0.602 40.283 40.800 0.142 0.000 0.971 24 D HN 0.477 nan 8.370 nan 0.000 0.453 25 F N 1.862 121.427 119.950 -0.642 0.000 2.091 25 F HA -0.220 4.303 4.527 -0.007 0.000 0.299 25 F C 2.311 177.934 175.800 -0.295 0.000 1.103 25 F CA 1.638 59.143 58.000 -0.824 0.000 1.228 25 F CB -0.048 38.479 39.000 -0.789 0.000 0.984 25 F HN -0.190 nan 8.300 nan 0.000 0.477 26 R N -0.184 120.193 120.500 -0.205 0.000 2.120 26 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 26 R C 2.124 178.299 176.300 -0.208 0.000 1.123 26 R CA 1.560 57.528 56.100 -0.220 0.000 0.975 26 R CB -0.386 29.904 30.300 -0.017 0.000 0.866 26 R HN 0.277 nan 8.270 nan 0.000 0.446 27 E N 0.216 120.334 120.200 -0.137 0.000 2.442 27 E HA -0.038 4.311 4.350 -0.001 0.000 0.195 27 E C -0.213 176.339 176.600 -0.080 0.000 1.030 27 E CA -0.055 56.295 56.400 -0.084 0.000 0.869 27 E CB -0.083 29.599 29.700 -0.031 0.000 0.857 27 E HN 0.255 nan 8.360 nan 0.000 0.505 28 D N 1.258 121.593 120.400 -0.107 0.000 2.434 28 D HA -0.011 4.629 4.640 -0.001 0.000 0.252 28 D C -1.454 174.790 176.300 -0.093 0.000 1.185 28 D CA -1.745 52.239 54.000 -0.028 0.000 0.886 28 D CB 1.433 42.279 40.800 0.076 0.000 1.148 28 D HN 0.102 nan 8.370 nan 0.000 0.483 29 P HA -0.001 nan 4.420 nan 0.000 0.245 29 P C 0.192 177.421 177.300 -0.119 0.000 1.206 29 P CA -0.061 62.988 63.100 -0.084 0.000 0.781 29 P CB 0.336 32.004 31.700 -0.053 0.000 0.994 30 D N 2.139 122.441 120.400 -0.163 0.000 2.401 30 D HA 0.023 4.663 4.640 -0.001 0.000 0.254 30 D C -1.298 174.873 176.300 -0.214 0.000 1.192 30 D CA -1.421 52.411 54.000 -0.278 0.000 0.885 30 D CB 1.382 41.760 40.800 -0.704 0.000 1.147 30 D HN 0.104 nan 8.370 nan 0.000 0.478 31 P HA 0.050 nan 4.420 nan 0.000 0.245 31 P C 0.763 177.969 177.300 -0.158 0.000 1.212 31 P CA 0.228 63.242 63.100 -0.142 0.000 0.774 31 P CB 0.337 31.967 31.700 -0.117 0.000 0.999 32 R N 0.816 121.192 120.500 -0.205 0.000 2.299 32 R HA 0.038 4.377 4.340 -0.001 0.000 0.197 32 R C 1.073 177.301 176.300 -0.121 0.000 0.971 32 R CA 0.088 56.009 56.100 -0.298 0.000 1.030 32 R CB -0.293 29.787 30.300 -0.366 0.000 0.932 32 R HN 0.375 nan 8.270 nan 0.000 0.477 33 K N 0.923 121.341 120.400 0.031 0.000 2.485 33 K HA 0.131 4.450 4.320 -0.001 0.000 0.277 33 K C -0.563 176.298 176.600 0.434 0.000 0.990 33 K CA 0.065 56.533 56.287 0.302 0.000 0.994 33 K CB 0.986 33.623 32.500 0.230 0.000 0.906 33 K HN -0.239 nan 8.250 nan 0.000 0.488 34 V N 2.289 122.532 119.914 0.548 0.000 2.612 34 V HA 0.092 4.212 4.120 -0.001 0.000 0.301 34 V C -0.952 175.246 176.094 0.174 0.000 1.059 34 V CA -1.093 61.407 62.300 0.333 0.000 0.886 34 V CB 1.570 33.526 31.823 0.222 0.000 1.007 34 V HN 0.868 nan 8.190 nan 0.000 0.426 35 N N 4.610 123.088 118.700 -0.370 0.000 2.439 35 N HA 0.359 5.099 4.740 -0.001 0.000 0.243 35 N C -0.035 175.348 175.510 -0.211 0.000 1.088 35 N CA -0.103 52.588 53.050 -0.599 0.000 0.940 35 N CB 0.827 38.513 38.487 -1.335 0.000 1.180 35 N HN 0.707 nan 8.380 nan 0.000 0.505 36 L N 2.231 123.435 121.223 -0.032 0.000 3.017 36 L HA 0.373 4.712 4.340 -0.001 0.000 0.255 36 L C 1.583 178.493 176.870 0.067 0.000 1.247 36 L CA -0.399 54.452 54.840 0.018 0.000 1.038 36 L CB 0.523 42.612 42.059 0.049 0.000 1.380 36 L HN 0.506 nan 8.230 nan 0.000 0.548 37 G N 0.023 108.851 108.800 0.046 0.000 2.558 37 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.218 37 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.218 37 G C 0.471 175.445 174.900 0.123 0.000 1.567 37 G CA -0.005 45.143 45.100 0.080 0.000 0.950 37 G HN -0.034 nan 8.290 nan 0.000 0.517 38 V N 1.901 121.869 119.914 0.090 0.000 2.814 38 V HA 0.420 4.539 4.120 -0.001 0.000 0.307 38 V C 1.236 177.465 176.094 0.224 0.000 1.089 38 V CA 0.451 62.839 62.300 0.146 0.000 1.212 38 V CB 0.944 32.847 31.823 0.133 0.000 0.912 38 V HN 0.519 nan 8.190 nan 0.000 0.497 39 G N 5.968 114.990 108.800 0.369 0.000 2.916 39 G HA2 0.550 4.509 3.960 -0.001 0.000 0.280 39 G HA3 0.550 4.509 3.960 -0.001 0.000 0.280 39 G C -0.036 174.985 174.900 0.202 0.000 0.758 39 G CA 0.349 45.605 45.100 0.261 0.000 1.993 39 G HN 1.414 nan 8.290 nan 0.000 0.564 40 A N 2.063 124.946 122.820 0.105 0.000 2.359 40 A HA 0.589 4.908 4.320 -0.001 0.000 0.303 40 A C -0.908 176.746 177.584 0.117 0.000 1.066 40 A CA -0.827 51.244 52.037 0.058 0.000 0.730 40 A CB 1.102 19.945 19.000 -0.262 0.000 1.211 40 A HN 0.557 nan 8.150 nan 0.000 0.439 41 Y N 3.095 123.516 120.300 0.202 0.000 2.610 41 Y HA 0.375 4.927 4.550 0.004 0.000 0.332 41 Y C 0.432 176.419 175.900 0.145 0.000 1.201 41 Y CA 0.847 59.067 58.100 0.199 0.000 1.465 41 Y CB 0.473 39.149 38.460 0.359 0.000 1.283 41 Y HN 0.628 nan 8.280 nan 0.000 0.563 42 R N 3.151 123.284 120.500 -0.613 0.000 2.807 42 R HA 0.308 4.647 4.340 -0.001 0.000 0.276 42 R C -0.198 175.650 176.300 -0.753 0.000 0.979 42 R CA -0.542 55.295 56.100 -0.439 0.000 0.928 42 R CB 1.523 31.666 30.300 -0.261 0.000 1.191 42 R HN 0.857 nan 8.270 nan 0.000 0.471 43 T N -2.592 111.766 114.554 -0.325 0.000 2.732 43 T HA 0.010 4.360 4.350 -0.001 0.000 0.287 43 T C 0.929 175.474 174.700 -0.258 0.000 0.993 43 T CA -0.355 61.582 62.100 -0.271 0.000 0.966 43 T CB 0.547 69.353 68.868 -0.104 0.000 1.047 43 T HN 0.494 nan 8.240 nan 0.000 0.527 44 D N -0.730 119.554 120.400 -0.194 0.000 2.378 44 D HA -0.026 4.614 4.640 -0.001 0.000 0.222 44 D C 0.656 176.867 176.300 -0.148 0.000 0.980 44 D CA 0.551 54.459 54.000 -0.153 0.000 0.907 44 D CB -0.209 40.526 40.800 -0.110 0.000 0.899 44 D HN 0.475 nan 8.370 nan 0.000 0.527 45 D N -0.761 119.534 120.400 -0.176 0.000 2.424 45 D HA 0.041 4.681 4.640 -0.001 0.000 0.220 45 D C 0.348 176.333 176.300 -0.524 0.000 1.150 45 D CA -0.073 53.774 54.000 -0.255 0.000 0.831 45 D CB -0.138 40.575 40.800 -0.144 0.000 0.981 45 D HN 0.099 nan 8.370 nan 0.000 0.500 46 C N 2.511 121.592 119.300 -0.364 0.000 4.350 46 C HA -0.194 4.265 4.460 -0.001 0.000 0.302 46 C C -0.133 174.650 174.990 -0.346 0.000 1.390 46 C CA 0.136 58.965 59.018 -0.315 0.000 2.016 46 C CB -2.316 25.289 27.740 -0.225 0.000 1.271 46 C HN 0.388 nan 8.230 nan 0.000 0.760 47 H N -0.305 118.764 119.070 -0.001 0.000 2.670 47 H HA 0.504 5.047 4.556 -0.022 0.000 0.361 47 H C -2.104 173.276 175.328 0.088 0.000 1.169 47 H CA -1.957 54.121 56.048 0.049 0.000 1.198 47 H CB 0.824 30.632 29.762 0.076 0.000 1.700 47 H HN 0.116 nan 8.280 nan 0.000 0.542 48 P HA -0.125 nan 4.420 nan 0.000 0.266 48 P C -0.412 177.140 177.300 0.420 0.000 1.193 48 P CA 0.271 63.532 63.100 0.269 0.000 0.770 48 P CB 0.551 32.367 31.700 0.193 0.000 0.836 49 W N 4.236 125.697 121.300 0.268 0.000 2.362 49 W HA 0.367 5.025 4.660 -0.002 0.000 0.316 49 W C -1.382 175.273 176.519 0.227 0.000 1.024 49 W CA -0.702 56.802 57.345 0.265 0.000 1.270 49 W CB 0.790 30.474 29.460 0.373 0.000 1.273 49 W HN -0.002 nan 8.180 nan 0.000 0.424 50 V N 7.866 127.775 119.914 -0.009 0.000 2.439 50 V HA 0.021 4.141 4.120 -0.001 0.000 0.271 50 V C 0.506 176.243 176.094 -0.595 0.000 1.040 50 V CA -0.560 61.645 62.300 -0.158 0.000 1.002 50 V CB 0.072 31.861 31.823 -0.057 0.000 1.000 50 V HN 0.234 nan 8.190 nan 0.000 0.477 51 L N 9.205 130.063 121.223 -0.607 0.000 2.490 51 L HA 0.143 4.482 4.340 -0.001 0.000 0.274 51 L C -1.068 175.480 176.870 -0.537 0.000 1.201 51 L CA -0.783 53.514 54.840 -0.905 0.000 0.869 51 L CB 0.072 41.842 42.059 -0.481 0.000 1.123 51 L HN 0.403 nan 8.230 nan 0.000 0.484 52 P HA -0.209 nan 4.420 nan 0.000 0.216 52 P C 1.810 179.041 177.300 -0.115 0.000 1.154 52 P CA 0.972 63.954 63.100 -0.197 0.000 0.865 52 P CB 0.216 31.864 31.700 -0.087 0.000 0.789 53 V N -0.655 119.198 119.914 -0.101 0.000 2.594 53 V HA -0.172 3.947 4.120 -0.001 0.000 0.253 53 V C 2.129 178.214 176.094 -0.014 0.000 1.069 53 V CA 1.643 63.926 62.300 -0.028 0.000 1.082 53 V CB -0.752 31.082 31.823 0.019 0.000 0.680 53 V HN -0.083 nan 8.190 nan 0.000 0.469 54 V N -0.248 119.644 119.914 -0.036 0.000 2.379 54 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 54 V C 2.419 178.497 176.094 -0.026 0.000 1.044 54 V CA 2.138 64.436 62.300 -0.003 0.000 1.036 54 V CB -0.645 31.185 31.823 0.013 0.000 0.664 54 V HN 0.534 nan 8.190 nan 0.000 0.453 55 K N 0.252 120.619 120.400 -0.055 0.000 2.032 55 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 55 K C 2.270 178.856 176.600 -0.022 0.000 1.048 55 K CA 1.714 57.978 56.287 -0.039 0.000 0.927 55 K CB -0.231 32.241 32.500 -0.047 0.000 0.712 55 K HN 0.317 nan 8.250 nan 0.000 0.441 56 K N 0.866 121.254 120.400 -0.020 0.000 2.063 56 K HA -0.141 4.179 4.320 -0.001 0.000 0.208 56 K C 1.926 178.522 176.600 -0.007 0.000 1.048 56 K CA 1.280 57.562 56.287 -0.009 0.000 0.928 56 K CB 0.102 32.601 32.500 -0.002 0.000 0.713 56 K HN -0.060 nan 8.250 nan 0.000 0.442 57 V N 1.239 121.148 119.914 -0.007 0.000 2.488 57 V HA -0.142 3.977 4.120 -0.001 0.000 0.246 57 V C 1.832 177.914 176.094 -0.020 0.000 1.046 57 V CA 1.543 63.837 62.300 -0.011 0.000 1.053 57 V CB -0.303 31.516 31.823 -0.006 0.000 0.679 57 V HN 0.354 nan 8.190 nan 0.000 0.458 58 E N -0.244 119.944 120.200 -0.020 0.000 2.097 58 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 58 E C 2.374 178.964 176.600 -0.017 0.000 1.000 58 E CA 1.312 57.699 56.400 -0.021 0.000 0.804 58 E CB -0.122 29.568 29.700 -0.017 0.000 0.740 58 E HN 0.536 nan 8.360 nan 0.000 0.454 59 Q N 0.750 120.542 119.800 -0.013 0.000 2.046 59 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 59 Q C 2.039 178.032 176.000 -0.013 0.000 0.975 59 Q CA 1.211 57.008 55.803 -0.011 0.000 0.836 59 Q CB -0.187 28.546 28.738 -0.007 0.000 0.896 59 Q HN 0.248 nan 8.270 nan 0.000 0.428 60 K N 0.343 120.734 120.400 -0.014 0.000 2.063 60 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 60 K C 2.215 178.801 176.600 -0.024 0.000 1.048 60 K CA 1.142 57.419 56.287 -0.016 0.000 0.928 60 K CB -0.228 32.263 32.500 -0.015 0.000 0.713 60 K HN 0.159 nan 8.250 nan 0.000 0.442 61 I N 0.771 121.324 120.570 -0.029 0.000 2.226 61 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 61 I C 2.439 178.536 176.117 -0.033 0.000 1.100 61 I CA 1.067 62.344 61.300 -0.038 0.000 1.374 61 I CB -0.307 37.667 38.000 -0.044 0.000 1.057 61 I HN 0.168 nan 8.210 nan 0.000 0.413 62 A N 0.693 123.499 122.820 -0.023 0.000 1.972 62 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 62 A C 1.890 179.464 177.584 -0.017 0.000 1.169 62 A CA 1.662 53.690 52.037 -0.016 0.000 0.635 62 A CB -0.486 18.509 19.000 -0.009 0.000 0.810 62 A HN 0.420 nan 8.150 nan 0.000 0.446 63 N N 0.241 118.930 118.700 -0.018 0.000 2.412 63 N HA -0.014 4.726 4.740 -0.001 0.000 0.184 63 N C -0.292 175.205 175.510 -0.022 0.000 1.101 63 N CA 0.347 53.387 53.050 -0.017 0.000 0.881 63 N CB -0.022 38.457 38.487 -0.013 0.000 0.969 63 N HN 0.379 nan 8.380 nan 0.000 0.459 64 D N 0.690 121.071 120.400 -0.030 0.000 2.422 64 D HA 0.061 4.701 4.640 -0.001 0.000 0.227 64 D C 0.752 177.025 176.300 -0.045 0.000 1.190 64 D CA -0.161 53.817 54.000 -0.037 0.000 0.905 64 D CB 0.088 40.862 40.800 -0.042 0.000 1.034 64 D HN -0.114 nan 8.370 nan 0.000 0.507 65 N N 1.333 120.011 118.700 -0.037 0.000 2.512 65 N HA -0.156 4.583 4.740 -0.001 0.000 0.183 65 N C 1.572 177.053 175.510 -0.047 0.000 1.073 65 N CA 0.909 53.936 53.050 -0.039 0.000 0.911 65 N CB 0.172 38.643 38.487 -0.027 0.000 0.964 65 N HN 0.312 nan 8.380 nan 0.000 0.447 66 S N -0.745 114.927 115.700 -0.048 0.000 2.522 66 S HA 0.047 4.517 4.470 -0.001 0.000 0.227 66 S C 0.693 175.249 174.600 -0.073 0.000 0.986 66 S CA -0.120 58.049 58.200 -0.052 0.000 0.929 66 S CB -0.314 62.861 63.200 -0.042 0.000 0.769 66 S HN 0.181 nan 8.310 nan 0.000 0.529 67 L N 2.871 124.035 121.223 -0.097 0.000 2.417 67 L HA 0.400 4.739 4.340 -0.001 0.000 0.268 67 L C 0.330 177.077 176.870 -0.204 0.000 1.158 67 L CA -0.636 54.118 54.840 -0.143 0.000 0.819 67 L CB 0.398 42.361 42.059 -0.160 0.000 1.112 67 L HN 0.464 nan 8.230 nan 0.000 0.458 68 N N -0.994 117.564 118.700 -0.236 0.000 2.966 68 N HA 0.300 5.040 4.740 -0.001 0.000 0.314 68 N C -0.323 174.950 175.510 -0.395 0.000 1.397 68 N CA -0.759 52.130 53.050 -0.267 0.000 0.776 68 N CB 0.691 39.108 38.487 -0.118 0.000 1.576 68 N HN 0.379 nan 8.380 nan 0.000 0.592 69 H N -1.134 117.898 119.070 -0.063 0.000 2.512 69 H HA 0.305 4.860 4.556 -0.001 0.000 0.276 69 H C -0.474 174.786 175.328 -0.115 0.000 1.126 69 H CA -0.283 55.716 56.048 -0.082 0.000 1.060 69 H CB 0.259 29.968 29.762 -0.089 0.000 1.646 69 H HN 0.478 nan 8.280 nan 0.000 0.571 70 E N 0.733 120.920 120.200 -0.021 0.000 2.404 70 E HA -0.023 4.327 4.350 -0.001 0.000 0.261 70 E C -0.134 176.467 176.600 0.003 0.000 1.074 70 E CA -0.227 56.143 56.400 -0.049 0.000 0.917 70 E CB 0.723 30.417 29.700 -0.010 0.000 0.965 70 E HN 0.170 nan 8.360 nan 0.000 0.433 71 Y N 0.940 121.258 120.300 0.031 0.000 2.895 71 Y HA -0.129 4.421 4.550 -0.001 0.000 0.334 71 Y C 1.124 177.037 175.900 0.023 0.000 1.261 71 Y CA 0.459 58.577 58.100 0.031 0.000 1.560 71 Y CB -0.171 38.307 38.460 0.031 0.000 1.253 71 Y HN 0.252 nan 8.280 nan 0.000 0.582 72 L N 6.233 127.578 121.223 0.204 0.000 2.476 72 L HA 0.149 4.489 4.340 -0.001 0.000 0.264 72 L C -1.764 175.171 176.870 0.109 0.000 1.224 72 L CA -1.887 53.024 54.840 0.118 0.000 0.821 72 L CB -0.084 42.022 42.059 0.079 0.000 1.101 72 L HN 0.451 nan 8.230 nan 0.000 0.488 73 P HA 0.068 nan 4.420 nan 0.000 0.270 73 P C 0.856 178.188 177.300 0.053 0.000 1.223 73 P CA -0.132 62.996 63.100 0.047 0.000 0.785 73 P CB 0.573 32.295 31.700 0.037 0.000 0.923 74 I N 0.385 120.972 120.570 0.028 0.000 2.151 74 I HA -0.279 3.891 4.170 -0.001 0.000 0.243 74 I C 1.890 178.059 176.117 0.086 0.000 1.080 74 I CA 1.715 63.038 61.300 0.039 0.000 1.339 74 I CB -0.528 37.469 38.000 -0.004 0.000 1.039 74 I HN 0.338 nan 8.210 nan 0.000 0.409 75 L N 0.102 121.364 121.223 0.065 0.000 2.465 75 L HA 0.136 4.476 4.340 -0.001 0.000 0.224 75 L C 1.116 178.055 176.870 0.116 0.000 1.145 75 L CA 0.459 55.350 54.840 0.084 0.000 0.834 75 L CB -0.928 41.156 42.059 0.042 0.000 0.944 75 L HN 0.522 nan 8.230 nan 0.000 0.451 76 G N -0.001 108.861 108.800 0.103 0.000 2.498 76 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.651 76 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.651 76 G C -1.168 173.784 174.900 0.087 0.000 1.284 76 G CA -0.779 44.383 45.100 0.102 0.000 0.950 76 G HN -0.085 nan 8.290 nan 0.000 0.511 77 L N 1.397 122.667 121.223 0.079 0.000 2.562 77 L HA 0.560 4.899 4.340 -0.001 0.000 0.271 77 L C 2.037 178.968 176.870 0.101 0.000 1.167 77 L CA 1.579 56.459 54.840 0.068 0.000 0.917 77 L CB 0.464 42.541 42.059 0.030 0.000 1.187 77 L HN 1.751 nan 8.230 nan 0.000 0.482 78 A N 3.977 126.828 122.820 0.050 0.000 1.883 78 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 78 A C 1.872 179.462 177.584 0.009 0.000 1.186 78 A CA 1.934 53.986 52.037 0.025 0.000 0.624 78 A CB -0.464 18.539 19.000 0.005 0.000 0.822 78 A HN 0.879 nan 8.150 nan 0.000 0.444 79 E N -1.026 119.181 120.200 0.012 0.000 2.150 79 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 79 E C 1.598 178.183 176.600 -0.024 0.000 0.985 79 E CA 1.211 57.603 56.400 -0.014 0.000 0.814 79 E CB -0.430 29.261 29.700 -0.015 0.000 0.752 79 E HN 0.728 nan 8.360 nan 0.000 0.466 80 F N 1.682 121.559 119.950 -0.121 0.000 2.113 80 F HA -0.107 4.420 4.527 -0.001 0.000 0.297 80 F C 1.980 177.704 175.800 -0.127 0.000 1.103 80 F CA 1.459 59.356 58.000 -0.171 0.000 1.248 80 F CB -0.046 38.839 39.000 -0.191 0.000 0.999 80 F HN -0.211 nan 8.300 nan 0.000 0.475 81 R N 0.352 120.709 120.500 -0.239 0.000 2.091 81 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 81 R C 2.368 178.503 176.300 -0.275 0.000 1.136 81 R CA 1.922 57.843 56.100 -0.299 0.000 0.959 81 R CB -0.757 29.505 30.300 -0.063 0.000 0.856 81 R HN 0.316 nan 8.270 nan 0.000 0.437 82 S N 0.184 115.775 115.700 -0.181 0.000 2.355 82 S HA -0.162 4.308 4.470 -0.001 0.000 0.222 82 S C 2.229 176.733 174.600 -0.161 0.000 1.031 82 S CA 1.234 59.350 58.200 -0.140 0.000 0.993 82 S CB -0.450 62.694 63.200 -0.094 0.000 0.859 82 S HN 0.404 nan 8.310 nan 0.000 0.453 83 C N 2.083 121.265 119.300 -0.196 0.000 2.432 83 C HA 0.003 4.462 4.460 -0.001 0.000 0.277 83 C C 3.181 178.057 174.990 -0.189 0.000 1.249 83 C CA 0.547 59.458 59.018 -0.178 0.000 1.725 83 C CB -1.617 26.011 27.740 -0.188 0.000 2.028 83 C HN 0.683 nan 8.230 nan 0.000 0.477 84 A N 0.330 122.927 122.820 -0.372 0.000 1.865 84 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 84 A C 2.288 179.837 177.584 -0.058 0.000 1.191 84 A CA 2.547 54.444 52.037 -0.233 0.000 0.623 84 A CB -1.013 17.652 19.000 -0.557 0.000 0.826 84 A HN 0.551 nan 8.150 nan 0.000 0.444 85 S N -1.190 114.433 115.700 -0.128 0.000 2.382 85 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 85 S C 2.088 176.662 174.600 -0.044 0.000 1.027 85 S CA 1.376 59.528 58.200 -0.080 0.000 0.991 85 S CB -0.314 62.822 63.200 -0.105 0.000 0.823 85 S HN 0.617 nan 8.310 nan 0.000 0.469 86 R N 0.490 120.960 120.500 -0.049 0.000 2.092 86 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 86 R C 2.260 178.577 176.300 0.029 0.000 1.119 86 R CA 0.939 57.024 56.100 -0.025 0.000 0.970 86 R CB -0.369 29.902 30.300 -0.047 0.000 0.864 86 R HN 0.312 nan 8.270 nan 0.000 0.440 87 L N 0.559 121.831 121.223 0.081 0.000 2.012 87 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 87 L C 2.202 179.158 176.870 0.143 0.000 1.073 87 L CA 2.248 57.200 54.840 0.187 0.000 0.748 87 L CB -0.601 41.644 42.059 0.309 0.000 0.891 87 L HN 0.234 nan 8.230 nan 0.000 0.431 88 A N -0.857 122.015 122.820 0.087 0.000 1.854 88 A HA -0.078 4.242 4.320 -0.001 0.000 0.214 88 A C 2.139 179.727 177.584 0.007 0.000 1.192 88 A CA 1.862 53.922 52.037 0.038 0.000 0.611 88 A CB -0.717 18.288 19.000 0.008 0.000 0.832 88 A HN 0.479 nan 8.150 nan 0.000 0.442 89 L N -1.511 119.710 121.223 -0.003 0.000 2.416 89 L HA 0.341 4.680 4.340 -0.001 0.000 0.216 89 L C 1.116 177.981 176.870 -0.009 0.000 1.098 89 L CA 0.373 55.204 54.840 -0.016 0.000 0.840 89 L CB -0.705 41.337 42.059 -0.030 0.000 0.981 89 L HN 0.608 nan 8.230 nan 0.000 0.462 90 G N 0.305 109.110 108.800 0.008 0.000 2.712 90 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.686 90 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.686 90 G C -0.190 174.706 174.900 -0.007 0.000 1.181 90 G CA -0.382 44.725 45.100 0.013 0.000 0.762 90 G HN 0.047 nan 8.290 nan 0.000 0.641 91 D N -0.124 120.267 120.400 -0.014 0.000 2.133 91 D HA -0.129 4.511 4.640 -0.001 0.000 0.195 91 D C 2.118 178.402 176.300 -0.025 0.000 0.997 91 D CA 2.057 56.037 54.000 -0.032 0.000 0.840 91 D CB -0.105 40.667 40.800 -0.046 0.000 0.947 91 D HN 0.812 nan 8.370 nan 0.000 0.452 92 D N -0.875 119.516 120.400 -0.015 0.000 2.336 92 D HA 0.077 4.716 4.640 -0.001 0.000 0.228 92 D C 0.590 176.883 176.300 -0.012 0.000 1.120 92 D CA -0.212 53.780 54.000 -0.012 0.000 0.839 92 D CB -0.213 40.585 40.800 -0.004 0.000 0.932 92 D HN -0.035 nan 8.370 nan 0.000 0.509 93 S N 1.346 117.036 115.700 -0.016 0.000 2.546 93 S HA 0.101 4.571 4.470 -0.001 0.000 0.290 93 S C -1.339 173.251 174.600 -0.018 0.000 1.290 93 S CA -1.023 57.167 58.200 -0.017 0.000 1.069 93 S CB 1.236 64.423 63.200 -0.021 0.000 0.846 93 S HN 0.098 nan 8.310 nan 0.000 0.495 94 P HA -0.019 nan 4.420 nan 0.000 0.218 94 P C 1.269 178.560 177.300 -0.015 0.000 1.149 94 P CA 1.311 64.403 63.100 -0.014 0.000 0.817 94 P CB -0.062 31.630 31.700 -0.013 0.000 0.785 95 A N -0.463 122.348 122.820 -0.015 0.000 1.902 95 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 95 A C 2.209 179.775 177.584 -0.030 0.000 1.181 95 A CA 1.426 53.451 52.037 -0.020 0.000 0.623 95 A CB -1.603 17.381 19.000 -0.027 0.000 0.818 95 A HN 0.129 nan 8.150 nan 0.000 0.443 96 L N -0.875 120.329 121.223 -0.032 0.000 2.027 96 L HA -0.177 4.162 4.340 -0.001 0.000 0.206 96 L C 2.577 179.429 176.870 -0.029 0.000 1.074 96 L CA 1.675 56.493 54.840 -0.036 0.000 0.745 96 L CB -0.461 41.575 42.059 -0.038 0.000 0.898 96 L HN 0.325 nan 8.230 nan 0.000 0.433 97 K N 0.276 120.662 120.400 -0.024 0.000 2.113 97 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 97 K C 1.627 178.217 176.600 -0.018 0.000 1.047 97 K CA 1.589 57.864 56.287 -0.020 0.000 0.928 97 K CB -0.112 32.378 32.500 -0.016 0.000 0.716 97 K HN 0.382 nan 8.250 nan 0.000 0.446 98 E N 0.525 120.715 120.200 -0.017 0.000 2.476 98 E HA 0.013 4.363 4.350 -0.001 0.000 0.191 98 E C -0.566 176.024 176.600 -0.016 0.000 1.064 98 E CA -0.040 56.352 56.400 -0.014 0.000 0.866 98 E CB 0.199 29.893 29.700 -0.010 0.000 0.952 98 E HN 0.122 nan 8.360 nan 0.000 0.492 99 K N 0.651 121.037 120.400 -0.023 0.000 3.077 99 K HA -0.248 4.072 4.320 -0.001 0.000 0.264 99 K C 0.291 176.875 176.600 -0.027 0.000 1.008 99 K CA 0.796 57.067 56.287 -0.027 0.000 0.740 99 K CB -1.350 31.137 32.500 -0.023 0.000 1.273 99 K HN 0.309 nan 8.250 nan 0.000 0.477 100 R N -0.761 119.722 120.500 -0.028 0.000 2.633 100 R HA 0.231 4.570 4.340 -0.001 0.000 0.348 100 R C -0.314 175.959 176.300 -0.046 0.000 1.100 100 R CA -0.536 55.548 56.100 -0.026 0.000 1.068 100 R CB 0.542 30.835 30.300 -0.010 0.000 1.351 100 R HN -0.034 nan 8.270 nan 0.000 0.575 101 V N 0.494 120.371 119.914 -0.061 0.000 2.495 101 V HA 0.681 4.800 4.120 -0.001 0.000 0.298 101 V C 0.355 176.395 176.094 -0.090 0.000 1.031 101 V CA -0.733 61.514 62.300 -0.089 0.000 0.871 101 V CB 1.711 33.478 31.823 -0.093 0.000 0.988 101 V HN 0.424 nan 8.190 nan 0.000 0.432 102 G N 1.889 110.622 108.800 -0.113 0.000 2.511 102 G HA2 0.782 4.741 3.960 -0.001 0.000 0.318 102 G HA3 0.782 4.741 3.960 -0.001 0.000 0.318 102 G C -0.504 174.316 174.900 -0.133 0.000 1.210 102 G CA -0.617 44.414 45.100 -0.115 0.000 0.969 102 G HN 1.123 nan 8.290 nan 0.000 0.484 103 G N -1.139 107.596 108.800 -0.109 0.000 2.741 103 G HA2 0.531 4.490 3.960 -0.001 0.000 0.293 103 G HA3 0.531 4.490 3.960 -0.001 0.000 0.293 103 G C -1.495 173.377 174.900 -0.048 0.000 1.457 103 G CA -0.313 44.729 45.100 -0.096 0.000 1.098 103 G HN 0.803 nan 8.290 nan 0.000 0.536 104 V N 2.556 122.456 119.914 -0.023 0.000 2.357 104 V HA 0.359 4.479 4.120 -0.001 0.000 0.284 104 V C 0.495 176.684 176.094 0.158 0.000 1.018 104 V CA -0.769 61.562 62.300 0.052 0.000 0.841 104 V CB 1.313 33.150 31.823 0.022 0.000 0.991 104 V HN 0.883 nan 8.190 nan 0.000 0.437 105 Q N 3.537 123.476 119.800 0.231 0.000 2.330 105 Q HA 0.340 4.680 4.340 -0.001 0.000 0.279 105 Q C 0.117 176.275 176.000 0.262 0.000 1.024 105 Q CA 0.162 56.163 55.803 0.330 0.000 0.900 105 Q CB 0.807 29.709 28.738 0.273 0.000 1.221 105 Q HN 0.976 nan 8.270 nan 0.000 0.396 106 S N 3.356 119.173 115.700 0.195 0.000 2.661 106 S HA 0.448 4.918 4.470 -0.001 0.000 0.285 106 S C -0.586 173.886 174.600 -0.213 0.000 1.138 106 S CA -1.064 57.199 58.200 0.105 0.000 0.855 106 S CB 0.920 64.269 63.200 0.248 0.000 1.136 106 S HN 0.605 nan 8.310 nan 0.000 0.484 107 L N 2.830 123.715 121.223 -0.563 0.000 2.395 107 L HA 0.417 4.756 4.340 -0.001 0.000 0.268 107 L C 1.442 178.213 176.870 -0.164 0.000 1.223 107 L CA 1.474 56.015 54.840 -0.498 0.000 1.093 107 L CB -1.118 40.483 42.059 -0.765 0.000 1.349 107 L HN 1.296 nan 8.230 nan 0.000 0.427 108 G N 2.588 111.342 108.800 -0.077 0.000 2.749 108 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.242 108 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.242 108 G C 0.897 175.830 174.900 0.054 0.000 1.364 108 G CA -0.197 44.910 45.100 0.010 0.000 0.888 108 G HN 0.672 nan 8.290 nan 0.000 0.566 109 G N -1.711 107.107 108.800 0.031 0.000 2.422 109 G HA2 0.060 4.019 3.960 -0.001 0.000 0.218 109 G HA3 0.060 4.019 3.960 -0.001 0.000 0.218 109 G C 1.862 176.851 174.900 0.149 0.000 1.140 109 G CA 2.329 47.455 45.100 0.043 0.000 0.775 109 G HN 1.171 nan 8.290 nan 0.000 0.545 110 T N 0.999 115.675 114.554 0.203 0.000 2.708 110 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 110 T C 2.510 177.361 174.700 0.252 0.000 1.037 110 T CA 1.495 63.780 62.100 0.308 0.000 1.146 110 T CB -0.581 68.490 68.868 0.338 0.000 0.865 110 T HN 0.347 nan 8.240 nan 0.000 0.435 111 G N 0.934 109.858 108.800 0.207 0.000 2.422 111 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.218 111 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.218 111 G C 1.804 176.930 174.900 0.376 0.000 1.146 111 G CA 0.891 46.176 45.100 0.308 0.000 0.769 111 G HN 0.583 nan 8.290 nan 0.000 0.547 112 A N 0.481 123.466 122.820 0.274 0.000 1.898 112 A HA 0.144 4.463 4.320 -0.001 0.000 0.216 112 A C 2.422 180.203 177.584 0.329 0.000 1.181 112 A CA 1.150 53.354 52.037 0.278 0.000 0.620 112 A CB -0.368 18.767 19.000 0.224 0.000 0.819 112 A HN 0.345 nan 8.150 nan 0.000 0.442 113 L N -1.120 120.277 121.223 0.290 0.000 2.017 113 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 113 L C 2.760 179.707 176.870 0.129 0.000 1.073 113 L CA 1.736 56.699 54.840 0.205 0.000 0.745 113 L CB -0.369 41.764 42.059 0.123 0.000 0.894 113 L HN 0.375 nan 8.230 nan 0.000 0.432 114 R N 0.498 121.086 120.500 0.148 0.000 2.081 114 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 114 R C 2.060 178.442 176.300 0.137 0.000 1.131 114 R CA 1.604 57.761 56.100 0.096 0.000 0.960 114 R CB -0.438 29.951 30.300 0.148 0.000 0.856 114 R HN 0.142 nan 8.270 nan 0.000 0.436 115 I N 0.193 120.882 120.570 0.197 0.000 2.226 115 I HA -0.081 4.088 4.170 -0.001 0.000 0.245 115 I C 2.241 178.500 176.117 0.237 0.000 1.100 115 I CA 1.794 63.185 61.300 0.151 0.000 1.374 115 I CB -1.760 36.312 38.000 0.120 0.000 1.057 115 I HN 0.414 nan 8.210 nan 0.000 0.413 116 G N 0.570 109.564 108.800 0.323 0.000 2.418 116 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 116 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 116 G C 1.855 177.173 174.900 0.697 0.000 1.158 116 G CA 1.004 46.405 45.100 0.500 0.000 0.771 116 G HN 0.490 nan 8.290 nan 0.000 0.545 117 A N 0.979 124.096 122.820 0.494 0.000 1.902 117 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 117 A C 2.096 179.894 177.584 0.358 0.000 1.181 117 A CA 2.043 54.289 52.037 0.349 0.000 0.623 117 A CB -0.386 18.407 19.000 -0.345 0.000 0.818 117 A HN 0.271 nan 8.150 nan 0.000 0.443 118 D N -1.134 119.398 120.400 0.220 0.000 2.144 118 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 118 D C 1.601 178.003 176.300 0.170 0.000 0.984 118 D CA 1.221 55.294 54.000 0.121 0.000 0.834 118 D CB -0.385 40.459 40.800 0.073 0.000 0.955 118 D HN 0.509 nan 8.370 nan 0.000 0.465 119 F N 1.306 121.377 119.950 0.201 0.000 2.146 119 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 119 F C 2.125 178.106 175.800 0.302 0.000 1.096 119 F CA 1.040 59.217 58.000 0.296 0.000 1.275 119 F CB -0.218 39.003 39.000 0.368 0.000 1.008 119 F HN -0.136 nan 8.300 nan 0.000 0.480 120 L N 0.128 121.626 121.223 0.458 0.000 2.046 120 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 120 L C 2.800 179.805 176.870 0.226 0.000 1.077 120 L CA 1.154 56.197 54.840 0.338 0.000 0.747 120 L CB -1.293 41.001 42.059 0.393 0.000 0.896 120 L HN 0.254 nan 8.230 nan 0.000 0.432 121 A N -0.036 122.835 122.820 0.086 0.000 2.019 121 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 121 A C 2.367 179.734 177.584 -0.361 0.000 1.164 121 A CA 1.449 53.270 52.037 -0.360 0.000 0.644 121 A CB -0.351 18.268 19.000 -0.634 0.000 0.805 121 A HN 0.359 nan 8.150 nan 0.000 0.449 122 R N -2.894 117.338 120.500 -0.447 0.000 2.105 122 R HA 0.036 4.375 4.340 -0.001 0.000 0.214 122 R C 1.223 176.990 176.300 -0.888 0.000 1.091 122 R CA 1.182 56.781 56.100 -0.834 0.000 1.007 122 R CB -0.065 29.461 30.300 -1.291 0.000 0.912 122 R HN 0.728 nan 8.270 nan 0.000 0.450 123 W N -1.828 119.268 121.300 -0.340 0.000 2.725 123 W HA 0.239 4.898 4.660 -0.001 0.000 0.336 123 W C -0.213 176.196 176.519 -0.184 0.000 1.012 123 W CA -0.847 56.283 57.345 -0.358 0.000 1.566 123 W CB 0.500 29.532 29.460 -0.712 0.000 1.068 123 W HN -0.097 nan 8.180 nan 0.000 0.546 124 Y N 2.578 122.842 120.300 -0.060 0.000 2.323 124 Y HA 0.310 4.860 4.550 -0.001 0.000 0.331 124 Y C 0.894 176.779 175.900 -0.025 0.000 1.092 124 Y CA -1.074 57.010 58.100 -0.027 0.000 1.150 124 Y CB 0.636 39.047 38.460 -0.080 0.000 1.200 124 Y HN 0.034 nan 8.280 nan 0.000 0.472 125 N N 3.114 121.339 118.700 -0.792 0.000 2.758 125 N HA -0.123 4.616 4.740 -0.001 0.000 0.248 125 N C -0.427 174.876 175.510 -0.345 0.000 1.076 125 N CA 1.524 54.132 53.050 -0.737 0.000 0.696 125 N CB -1.210 36.832 38.487 -0.742 0.000 0.979 125 N HN 1.549 nan 8.380 nan 0.000 0.550 126 G N -2.241 106.417 108.800 -0.237 0.000 2.422 126 G HA2 0.033 3.992 3.960 -0.001 0.000 0.607 126 G HA3 0.033 3.992 3.960 -0.001 0.000 0.607 126 G C -0.812 174.038 174.900 -0.083 0.000 1.270 126 G CA -0.238 44.780 45.100 -0.136 0.000 0.992 126 G HN 0.528 nan 8.290 nan 0.000 0.499 127 T N 1.702 116.209 114.554 -0.079 0.000 2.771 127 T HA 0.553 4.903 4.350 -0.001 0.000 0.281 127 T C 0.561 175.144 174.700 -0.195 0.000 0.982 127 T CA 0.297 62.326 62.100 -0.118 0.000 0.978 127 T CB 0.905 69.743 68.868 -0.049 0.000 0.930 127 T HN 1.050 nan 8.240 nan 0.000 0.447 128 N N 2.362 120.876 118.700 -0.311 0.000 2.727 128 N HA -0.165 4.574 4.740 -0.001 0.000 0.249 128 N C -0.440 174.954 175.510 -0.194 0.000 1.048 128 N CA 0.372 53.250 53.050 -0.286 0.000 0.714 128 N CB -0.967 37.365 38.487 -0.259 0.000 0.959 128 N HN 0.562 nan 8.380 nan 0.000 0.544 129 N N 1.304 119.911 118.700 -0.155 0.000 2.482 129 N HA 0.081 4.820 4.740 -0.001 0.000 0.242 129 N C 0.736 176.206 175.510 -0.066 0.000 1.100 129 N CA -0.153 52.848 53.050 -0.081 0.000 0.946 129 N CB 0.464 38.924 38.487 -0.045 0.000 1.227 129 N HN 0.012 nan 8.380 nan 0.000 0.508 130 K N 1.851 122.188 120.400 -0.105 0.000 2.444 130 K HA 0.139 4.458 4.320 -0.001 0.000 0.193 130 K C 0.030 176.688 176.600 0.098 0.000 1.024 130 K CA 0.121 56.322 56.287 -0.143 0.000 1.077 130 K CB 0.323 32.716 32.500 -0.179 0.000 0.833 130 K HN 0.431 nan 8.250 nan 0.000 0.517 131 N N 0.725 119.499 118.700 0.124 0.000 2.236 131 N HA -0.004 4.735 4.740 -0.001 0.000 0.196 131 N C -0.323 175.313 175.510 0.210 0.000 1.114 131 N CA 0.143 53.285 53.050 0.153 0.000 0.859 131 N CB 0.458 38.996 38.487 0.086 0.000 0.982 131 N HN -0.055 nan 8.380 nan 0.000 0.493 132 T N 3.450 118.185 114.554 0.300 0.000 2.829 132 T HA 0.113 4.462 4.350 -0.001 0.000 0.293 132 T C -2.400 172.450 174.700 0.250 0.000 0.970 132 T CA -0.634 61.648 62.100 0.304 0.000 1.168 132 T CB 0.795 69.911 68.868 0.414 0.000 0.911 132 T HN 0.024 nan 8.240 nan 0.000 0.535 133 P HA 0.147 nan 4.420 nan 0.000 0.265 133 P C -0.883 176.441 177.300 0.040 0.000 1.193 133 P CA -0.215 62.948 63.100 0.105 0.000 0.765 133 P CB 0.457 32.268 31.700 0.185 0.000 0.823 134 V N 5.245 125.068 119.914 -0.150 0.000 2.350 134 V HA 0.247 4.367 4.120 -0.001 0.000 0.285 134 V C -0.581 175.361 176.094 -0.254 0.000 1.014 134 V CA -0.464 61.673 62.300 -0.272 0.000 0.831 134 V CB 0.294 31.782 31.823 -0.559 0.000 1.000 134 V HN 0.405 nan 8.190 nan 0.000 0.433 135 Y N 4.170 124.406 120.300 -0.106 0.000 2.341 135 Y HA 0.566 5.115 4.550 -0.001 0.000 0.340 135 Y C 0.388 176.283 175.900 -0.007 0.000 0.997 135 Y CA -0.495 57.622 58.100 0.029 0.000 1.149 135 Y CB 1.830 40.419 38.460 0.214 0.000 1.171 135 Y HN 0.569 nan 8.280 nan 0.000 0.494 136 V N 0.491 120.374 119.914 -0.052 0.000 2.881 136 V HA 0.740 4.859 4.120 -0.001 0.000 0.316 136 V C 0.043 175.704 176.094 -0.722 0.000 1.070 136 V CA -1.138 61.027 62.300 -0.225 0.000 0.976 136 V CB 1.534 33.259 31.823 -0.162 0.000 1.038 136 V HN 0.731 nan 8.190 nan 0.000 0.446 137 S N 1.882 117.048 115.700 -0.890 0.000 2.593 137 S HA 0.425 4.894 4.470 -0.001 0.000 0.269 137 S C 0.238 174.533 174.600 -0.509 0.000 1.334 137 S CA 0.014 57.475 58.200 -1.231 0.000 1.015 137 S CB 1.160 63.902 63.200 -0.764 0.000 0.912 137 S HN 1.453 nan 8.310 nan 0.000 0.541 138 S N 3.130 118.617 115.700 -0.355 0.000 2.520 138 S HA 0.539 5.009 4.470 -0.001 0.000 0.324 138 S C -2.394 172.219 174.600 0.022 0.000 1.069 138 S CA -1.660 56.476 58.200 -0.106 0.000 1.121 138 S CB 0.352 63.526 63.200 -0.043 0.000 0.971 138 S HN 0.707 nan 8.310 nan 0.000 0.463 139 P HA 0.497 nan 4.420 nan 0.000 0.284 139 P C -0.282 176.969 177.300 -0.081 0.000 1.292 139 P CA -0.335 62.725 63.100 -0.067 0.000 0.800 139 P CB 1.346 32.992 31.700 -0.090 0.000 1.188 140 T N -2.047 112.468 114.554 -0.066 0.000 2.681 140 T HA 0.357 4.706 4.350 -0.001 0.000 0.296 140 T C -1.796 172.902 174.700 -0.003 0.000 1.157 140 T CA -0.501 61.593 62.100 -0.009 0.000 1.025 140 T CB 0.085 69.061 68.868 0.180 0.000 1.441 140 T HN 0.345 nan 8.240 nan 0.000 0.504 141 W N 3.046 124.207 121.300 -0.230 0.000 2.264 141 W HA 0.235 4.894 4.660 -0.002 0.000 0.331 141 W C 1.668 178.041 176.519 -0.243 0.000 1.364 141 W CA -0.494 56.659 57.345 -0.320 0.000 1.253 141 W CB 0.147 29.290 29.460 -0.528 0.000 1.215 141 W HN 0.926 nan 8.180 nan 0.000 0.561 142 E N 2.003 121.967 120.200 -0.393 0.000 2.233 142 E HA -0.381 3.968 4.350 -0.001 0.000 0.199 142 E C 1.239 177.485 176.600 -0.589 0.000 1.004 142 E CA 1.870 58.013 56.400 -0.427 0.000 0.819 142 E CB -0.280 29.207 29.700 -0.356 0.000 0.738 142 E HN 0.447 nan 8.360 nan 0.000 0.478 143 N N -0.251 117.734 118.700 -1.192 0.000 2.336 143 N HA 0.018 4.757 4.740 -0.001 0.000 0.189 143 N C 0.959 176.220 175.510 -0.416 0.000 1.113 143 N CA 0.260 52.710 53.050 -1.000 0.000 0.858 143 N CB -0.002 37.459 38.487 -1.710 0.000 0.970 143 N HN 0.398 nan 8.380 nan 0.000 0.471 144 H N -0.668 118.277 119.070 -0.209 0.000 2.276 144 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 144 H C 1.817 177.210 175.328 0.108 0.000 1.073 144 H CA 1.061 57.161 56.048 0.087 0.000 1.311 144 H CB 0.130 29.943 29.762 0.085 0.000 1.379 144 H HN 0.249 nan 8.280 nan 0.000 0.494 145 N N 1.044 119.820 118.700 0.127 0.000 2.069 145 N HA -0.156 4.584 4.740 -0.001 0.000 0.191 145 N C 2.019 177.589 175.510 0.101 0.000 1.031 145 N CA 1.340 54.440 53.050 0.083 0.000 0.852 145 N CB -0.123 38.370 38.487 0.010 0.000 1.018 145 N HN 0.347 nan 8.380 nan 0.000 0.423 146 A N 0.697 123.529 122.820 0.021 0.000 1.898 146 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 146 A C 2.606 180.223 177.584 0.055 0.000 1.181 146 A CA 1.346 53.388 52.037 0.008 0.000 0.620 146 A CB -0.744 18.214 19.000 -0.070 0.000 0.819 146 A HN 0.189 nan 8.150 nan 0.000 0.442 147 V N -1.288 118.669 119.914 0.072 0.000 2.307 147 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 147 V C 2.301 178.429 176.094 0.057 0.000 1.045 147 V CA 2.030 64.361 62.300 0.053 0.000 1.024 147 V CB -0.946 30.898 31.823 0.034 0.000 0.651 147 V HN 0.568 nan 8.190 nan 0.000 0.449 148 F N 0.705 120.721 119.950 0.110 0.000 2.186 148 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 148 F C 2.653 178.604 175.800 0.252 0.000 1.090 148 F CA 1.653 59.775 58.000 0.203 0.000 1.307 148 F CB -0.655 38.393 39.000 0.080 0.000 1.019 148 F HN 0.051 nan 8.300 nan 0.000 0.489 149 S N -0.041 115.833 115.700 0.291 0.000 2.383 149 S HA -0.153 4.316 4.470 -0.001 0.000 0.227 149 S C 2.358 177.032 174.600 0.122 0.000 1.026 149 S CA 0.912 59.227 58.200 0.191 0.000 0.981 149 S CB -0.659 62.610 63.200 0.115 0.000 0.818 149 S HN 0.369 nan 8.310 nan 0.000 0.472 150 A N 1.508 124.385 122.820 0.095 0.000 1.972 150 A HA 0.143 4.462 4.320 -0.001 0.000 0.219 150 A C 2.250 179.852 177.584 0.030 0.000 1.169 150 A CA 1.541 53.608 52.037 0.049 0.000 0.635 150 A CB -0.845 18.180 19.000 0.041 0.000 0.810 150 A HN 0.520 nan 8.150 nan 0.000 0.446 151 A N -2.195 120.657 122.820 0.053 0.000 2.168 151 A HA 0.382 4.701 4.320 -0.001 0.000 0.215 151 A C 1.812 179.320 177.584 -0.126 0.000 1.152 151 A CA 1.514 53.548 52.037 -0.004 0.000 0.716 151 A CB -0.622 18.422 19.000 0.072 0.000 0.794 151 A HN 1.789 nan 8.150 nan 0.000 0.465 152 G N -2.583 106.175 108.800 -0.069 0.000 2.229 152 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.189 152 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.189 152 G C -0.022 174.810 174.900 -0.114 0.000 1.000 152 G CA -0.264 44.755 45.100 -0.135 0.000 0.663 152 G HN 0.238 nan 8.290 nan 0.000 0.493 153 F N 1.745 121.745 119.950 0.085 0.000 2.578 153 F HA 0.405 4.932 4.527 -0.001 0.000 0.381 153 F C 1.673 177.512 175.800 0.065 0.000 1.069 153 F CA 0.236 58.296 58.000 0.100 0.000 1.231 153 F CB 0.955 40.062 39.000 0.178 0.000 1.086 153 F HN -0.173 nan 8.300 nan 0.000 0.564 154 K N 1.113 121.644 120.400 0.218 0.000 2.361 154 K HA 0.022 4.342 4.320 -0.001 0.000 0.194 154 K C -0.056 176.605 176.600 0.100 0.000 1.032 154 K CA 0.528 56.888 56.287 0.121 0.000 1.048 154 K CB 0.141 32.685 32.500 0.074 0.000 0.842 154 K HN 0.484 nan 8.250 nan 0.000 0.526 155 D N 0.955 121.426 120.400 0.119 0.000 2.400 155 D HA 0.253 4.893 4.640 -0.001 0.000 0.272 155 D C -0.932 175.356 176.300 -0.021 0.000 1.220 155 D CA -0.291 53.735 54.000 0.045 0.000 0.897 155 D CB 0.056 40.889 40.800 0.054 0.000 1.134 155 D HN -0.053 nan 8.370 nan 0.000 0.507 156 I N 2.629 123.172 120.570 -0.045 0.000 2.359 156 I HA 0.460 4.629 4.170 -0.001 0.000 0.294 156 I C 0.758 176.761 176.117 -0.191 0.000 0.987 156 I CA -0.614 60.611 61.300 -0.125 0.000 1.225 156 I CB 1.363 39.326 38.000 -0.061 0.000 1.366 156 I HN -0.042 nan 8.210 nan 0.000 0.466 157 R N 3.256 123.551 120.500 -0.341 0.000 2.905 157 R HA 0.694 5.034 4.340 -0.001 0.000 0.260 157 R C -0.926 175.206 176.300 -0.280 0.000 1.086 157 R CA -0.841 55.024 56.100 -0.391 0.000 0.978 157 R CB 2.290 32.109 30.300 -0.801 0.000 1.215 157 R HN 0.749 nan 8.270 nan 0.000 0.480 158 S N -0.159 115.467 115.700 -0.123 0.000 2.568 158 S HA 0.576 5.045 4.470 -0.001 0.000 0.293 158 S C -1.049 173.662 174.600 0.185 0.000 1.089 158 S CA -0.955 57.219 58.200 -0.044 0.000 0.945 158 S CB 1.005 64.146 63.200 -0.099 0.000 1.077 158 S HN 0.557 nan 8.310 nan 0.000 0.485 159 Y N -0.470 119.926 120.300 0.161 0.000 2.387 159 Y HA 0.723 5.273 4.550 -0.001 0.000 0.336 159 Y C 0.229 176.138 175.900 0.016 0.000 1.067 159 Y CA -1.439 56.734 58.100 0.122 0.000 1.114 159 Y CB 0.697 39.199 38.460 0.071 0.000 1.208 159 Y HN 0.631 nan 8.280 nan 0.000 0.458 160 R N 1.780 122.408 120.500 0.213 0.000 2.640 160 R HA 0.033 4.372 4.340 -0.001 0.000 0.270 160 R C -0.791 175.604 176.300 0.158 0.000 1.024 160 R CA 0.765 56.950 56.100 0.142 0.000 1.085 160 R CB 0.168 30.546 30.300 0.131 0.000 0.963 160 R HN 0.969 nan 8.270 nan 0.000 0.426 161 Y N 0.944 121.212 120.300 -0.053 0.000 3.299 161 Y HA 0.069 4.619 4.550 -0.001 0.000 0.195 161 Y C -0.785 175.115 175.900 -0.001 0.000 0.972 161 Y CA -0.225 57.810 58.100 -0.110 0.000 1.633 161 Y CB 0.335 38.632 38.460 -0.271 0.000 1.465 161 Y HN 0.616 nan 8.280 nan 0.000 0.367 162 W N 4.979 126.236 121.300 -0.073 0.000 2.356 162 W HA 0.240 4.900 4.660 0.000 0.000 0.311 162 W C -0.704 175.776 176.519 -0.064 0.000 1.328 162 W CA 0.061 57.345 57.345 -0.103 0.000 1.251 162 W CB 0.686 30.134 29.460 -0.021 0.000 1.280 162 W HN 0.163 nan 8.180 nan 0.000 0.524 163 D N 5.071 125.109 120.400 -0.602 0.000 2.380 163 D HA 0.245 4.884 4.640 -0.001 0.000 0.230 163 D C 0.928 176.640 176.300 -0.980 0.000 1.154 163 D CA 0.131 53.782 54.000 -0.582 0.000 0.859 163 D CB 1.633 42.171 40.800 -0.436 0.000 1.045 163 D HN 0.485 nan 8.370 nan 0.000 0.495 164 A N 4.026 126.472 122.820 -0.624 0.000 2.066 164 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 164 A C 1.853 179.254 177.584 -0.305 0.000 1.157 164 A CA 0.933 52.736 52.037 -0.390 0.000 0.670 164 A CB -0.125 18.898 19.000 0.039 0.000 0.804 164 A HN 0.692 nan 8.150 nan 0.000 0.453 165 E N -0.308 119.715 120.200 -0.296 0.000 2.042 165 E HA -0.074 4.276 4.350 -0.001 0.000 0.189 165 E C 2.251 178.689 176.600 -0.271 0.000 0.974 165 E CA 1.144 57.406 56.400 -0.231 0.000 0.806 165 E CB -0.067 29.529 29.700 -0.173 0.000 0.769 165 E HN 0.487 nan 8.360 nan 0.000 0.451 166 K N 1.069 121.279 120.400 -0.316 0.000 2.459 166 K HA 0.033 4.353 4.320 -0.001 0.000 0.193 166 K C 0.669 177.043 176.600 -0.376 0.000 1.030 166 K CA 0.665 56.776 56.287 -0.293 0.000 1.026 166 K CB -0.621 31.725 32.500 -0.256 0.000 0.809 166 K HN 0.214 nan 8.250 nan 0.000 0.504 167 R N -0.864 119.284 120.500 -0.587 0.000 3.158 167 R HA -0.152 4.187 4.340 -0.001 0.000 0.244 167 R C 0.517 176.413 176.300 -0.673 0.000 0.900 167 R CA 0.298 55.904 56.100 -0.824 0.000 0.618 167 R CB -2.322 27.802 30.300 -0.294 0.000 1.061 167 R HN 0.712 nan 8.270 nan 0.000 0.471 168 G N -0.486 107.848 108.800 -0.775 0.000 2.682 168 G HA2 0.495 4.455 3.960 -0.001 0.000 0.303 168 G HA3 0.495 4.455 3.960 -0.001 0.000 0.303 168 G C -1.374 173.284 174.900 -0.403 0.000 1.341 168 G CA -1.115 43.755 45.100 -0.382 0.000 0.784 168 G HN 0.078 nan 8.290 nan 0.000 0.497 169 L N 1.220 122.258 121.223 -0.309 0.000 2.462 169 L HA 0.351 4.690 4.340 -0.001 0.000 0.272 169 L C -0.055 176.640 176.870 -0.292 0.000 1.166 169 L CA -0.417 54.187 54.840 -0.395 0.000 0.880 169 L CB 0.870 42.707 42.059 -0.370 0.000 1.142 169 L HN 0.480 nan 8.230 nan 0.000 0.473 170 D N 4.230 124.473 120.400 -0.262 0.000 2.558 170 D HA 0.003 4.642 4.640 -0.001 0.000 0.221 170 D C 1.015 177.288 176.300 -0.046 0.000 1.143 170 D CA -0.193 53.722 54.000 -0.141 0.000 1.010 170 D CB 0.159 40.898 40.800 -0.102 0.000 1.068 170 D HN 0.573 nan 8.370 nan 0.000 0.511 171 L N 2.645 123.828 121.223 -0.066 0.000 2.046 171 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 171 L C 1.932 178.804 176.870 0.004 0.000 1.077 171 L CA 1.697 56.523 54.840 -0.024 0.000 0.747 171 L CB -0.258 41.746 42.059 -0.092 0.000 0.896 171 L HN 0.273 nan 8.230 nan 0.000 0.432 172 Q N -0.156 119.633 119.800 -0.018 0.000 2.096 172 Q HA -0.120 4.219 4.340 -0.001 0.000 0.204 172 Q C 2.195 178.216 176.000 0.034 0.000 0.982 172 Q CA 1.680 57.478 55.803 -0.008 0.000 0.850 172 Q CB -1.142 27.583 28.738 -0.021 0.000 0.901 172 Q HN 0.646 nan 8.270 nan 0.000 0.422 173 G N 0.342 109.176 108.800 0.056 0.000 2.418 173 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 173 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 173 G C 1.279 176.299 174.900 0.200 0.000 1.158 173 G CA 0.540 45.700 45.100 0.099 0.000 0.771 173 G HN 0.290 nan 8.290 nan 0.000 0.545 174 F N 1.675 121.647 119.950 0.037 0.000 2.046 174 F HA -0.008 4.518 4.527 -0.001 0.000 0.297 174 F C 2.521 178.306 175.800 -0.024 0.000 1.123 174 F CA 1.006 59.044 58.000 0.063 0.000 1.199 174 F CB -0.899 38.122 39.000 0.034 0.000 0.972 174 F HN 0.058 nan 8.300 nan 0.000 0.474 175 L N -0.017 121.240 121.223 0.057 0.000 2.079 175 L HA -0.278 4.062 4.340 -0.001 0.000 0.210 175 L C 2.204 179.061 176.870 -0.021 0.000 1.081 175 L CA 1.857 56.640 54.840 -0.095 0.000 0.752 175 L CB -0.875 41.112 42.059 -0.120 0.000 0.896 175 L HN 0.243 nan 8.230 nan 0.000 0.433 176 N N -0.234 118.487 118.700 0.034 0.000 2.142 176 N HA -0.188 4.552 4.740 -0.001 0.000 0.186 176 N C 1.503 177.046 175.510 0.055 0.000 1.023 176 N CA 1.165 54.237 53.050 0.037 0.000 0.852 176 N CB 0.119 38.635 38.487 0.048 0.000 0.998 176 N HN 0.171 nan 8.380 nan 0.000 0.424 177 D N 0.062 120.526 120.400 0.106 0.000 2.144 177 D HA -0.089 4.550 4.640 -0.001 0.000 0.200 177 D C 1.915 178.197 176.300 -0.030 0.000 0.978 177 D CA 0.639 54.711 54.000 0.119 0.000 0.833 177 D CB -0.148 40.800 40.800 0.246 0.000 0.961 177 D HN 0.345 nan 8.370 nan 0.000 0.470 178 L N 0.876 122.067 121.223 -0.054 0.000 2.056 178 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 178 L C 2.388 179.190 176.870 -0.114 0.000 1.078 178 L CA 0.925 55.667 54.840 -0.162 0.000 0.749 178 L CB -0.313 41.649 42.059 -0.162 0.000 0.901 178 L HN -0.065 nan 8.230 nan 0.000 0.433 179 E N 0.294 120.458 120.200 -0.060 0.000 2.160 179 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 179 E C 1.469 178.061 176.600 -0.014 0.000 0.991 179 E CA 0.954 57.333 56.400 -0.034 0.000 0.810 179 E CB -0.180 29.510 29.700 -0.016 0.000 0.742 179 E HN 0.525 nan 8.360 nan 0.000 0.466 180 N N 0.176 118.877 118.700 0.001 0.000 2.280 180 N HA 0.070 4.809 4.740 -0.001 0.000 0.192 180 N C 0.034 175.580 175.510 0.060 0.000 1.109 180 N CA 0.053 53.127 53.050 0.040 0.000 0.855 180 N CB 0.554 39.081 38.487 0.068 0.000 0.974 180 N HN -0.037 nan 8.380 nan 0.000 0.482 181 A N 2.317 125.127 122.820 -0.016 0.000 2.477 181 A HA 0.332 4.652 4.320 -0.001 0.000 0.246 181 A C -2.150 175.493 177.584 0.098 0.000 1.078 181 A CA -0.829 51.209 52.037 0.001 0.000 0.770 181 A CB -0.063 18.745 19.000 -0.321 0.000 1.011 181 A HN -0.044 nan 8.150 nan 0.000 0.494 182 P HA 0.070 nan 4.420 nan 0.000 0.267 182 P C -0.211 177.198 177.300 0.182 0.000 1.200 182 P CA 0.128 63.337 63.100 0.183 0.000 0.772 182 P CB 0.372 32.202 31.700 0.217 0.000 0.855 183 E N 1.751 122.045 120.200 0.158 0.000 2.481 183 E HA -0.050 4.300 4.350 -0.001 0.000 0.263 183 E C -0.052 176.668 176.600 0.201 0.000 0.992 183 E CA 0.528 56.970 56.400 0.069 0.000 0.938 183 E CB -0.261 29.448 29.700 0.015 0.000 0.933 183 E HN 0.395 nan 8.360 nan 0.000 0.453 184 F N -0.831 119.331 119.950 0.353 0.000 2.656 184 F HA -0.293 4.234 4.527 -0.001 0.000 0.381 184 F C 0.808 176.859 175.800 0.419 0.000 0.603 184 F CA 0.525 58.752 58.000 0.378 0.000 1.335 184 F CB -2.013 37.103 39.000 0.193 0.000 1.836 184 F HN 0.219 nan 8.300 nan 0.000 0.290 185 S N 1.309 117.274 115.700 0.442 0.000 2.566 185 S HA 0.379 4.849 4.470 -0.001 0.000 0.280 185 S C 0.526 175.361 174.600 0.392 0.000 1.343 185 S CA -0.217 58.227 58.200 0.405 0.000 1.036 185 S CB 0.687 64.129 63.200 0.403 0.000 0.866 185 S HN 0.228 nan 8.310 nan 0.000 0.526 186 I N 2.055 122.812 120.570 0.312 0.000 2.396 186 I HA 0.314 4.484 4.170 -0.001 0.000 0.292 186 I C -0.571 175.660 176.117 0.189 0.000 0.999 186 I CA -0.497 60.946 61.300 0.239 0.000 1.310 186 I CB 1.126 39.164 38.000 0.063 0.000 1.404 186 I HN 0.205 nan 8.210 nan 0.000 0.496 187 V N 6.907 126.917 119.914 0.159 0.000 2.444 187 V HA 0.266 4.386 4.120 -0.001 0.000 0.294 187 V C -0.108 176.000 176.094 0.024 0.000 1.022 187 V CA -0.743 61.620 62.300 0.105 0.000 0.850 187 V CB 1.826 33.668 31.823 0.032 0.000 0.992 187 V HN 0.373 nan 8.190 nan 0.000 0.426 188 V N 6.963 126.867 119.914 -0.016 0.000 2.408 188 V HA 0.415 4.534 4.120 -0.001 0.000 0.267 188 V C -0.073 176.027 176.094 0.010 0.000 1.047 188 V CA -0.161 62.045 62.300 -0.158 0.000 0.937 188 V CB 1.009 32.523 31.823 -0.515 0.000 0.999 188 V HN 0.614 nan 8.190 nan 0.000 0.472 189 L N 5.111 126.297 121.223 -0.062 0.000 2.341 189 L HA 0.540 4.880 4.340 -0.001 0.000 0.278 189 L C 0.001 177.024 176.870 0.255 0.000 1.005 189 L CA -0.619 54.286 54.840 0.108 0.000 0.818 189 L CB 1.631 43.511 42.059 -0.298 0.000 1.259 189 L HN 0.598 nan 8.230 nan 0.000 0.418 190 H N 2.522 121.812 119.070 0.367 0.000 2.742 190 H HA 0.137 4.692 4.556 -0.001 0.000 0.302 190 H C 0.684 176.347 175.328 0.558 0.000 1.069 190 H CA -0.085 56.206 56.048 0.404 0.000 1.446 190 H CB 1.782 31.741 29.762 0.328 0.000 1.462 190 H HN 0.888 nan 8.280 nan 0.000 0.499 191 A N 3.977 127.137 122.820 0.566 0.000 1.908 191 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 191 A C 1.236 179.059 177.584 0.399 0.000 1.181 191 A CA 1.597 53.864 52.037 0.384 0.000 0.627 191 A CB -0.329 18.762 19.000 0.151 0.000 0.818 191 A HN 0.858 nan 8.150 nan 0.000 0.445 192 C N -6.688 112.872 119.300 0.433 0.000 3.275 192 C HA 0.693 5.153 4.460 -0.001 0.000 0.340 192 C C 0.512 175.737 174.990 0.391 0.000 1.366 192 C CA -0.607 58.659 59.018 0.414 0.000 1.227 192 C CB 0.812 28.742 27.740 0.316 0.000 1.512 192 C HN 2.297 nan 8.230 nan 0.000 0.461 193 A N 1.100 124.112 122.820 0.319 0.000 2.519 193 A HA -0.106 4.214 4.320 -0.001 0.000 0.297 193 A C 0.303 177.984 177.584 0.162 0.000 1.472 193 A CA 1.277 53.435 52.037 0.201 0.000 0.739 193 A CB -2.374 16.710 19.000 0.140 0.000 1.096 193 A HN 2.142 nan 8.150 nan 0.000 0.414 194 H N 0.615 119.755 119.070 0.117 0.000 3.140 194 H HA 0.104 4.660 4.556 -0.001 0.000 0.316 194 H C 0.270 175.525 175.328 -0.122 0.000 0.986 194 H CA 1.606 57.610 56.048 -0.074 0.000 1.397 194 H CB 0.409 30.099 29.762 -0.120 0.000 1.377 194 H HN 0.672 nan 8.280 nan 0.000 0.585 195 N N 6.830 125.141 118.700 -0.650 0.000 2.476 195 N HA 0.169 4.909 4.740 -0.001 0.000 0.257 195 N C -2.319 172.781 175.510 -0.682 0.000 0.970 195 N CA -2.238 50.543 53.050 -0.449 0.000 0.938 195 N CB 1.566 39.955 38.487 -0.164 0.000 1.144 195 N HN 0.398 nan 8.380 nan 0.000 0.500 196 P HA 0.153 nan 4.420 nan 0.000 0.282 196 P C 0.636 177.663 177.300 -0.455 0.000 1.373 196 P CA 0.156 62.954 63.100 -0.503 0.000 1.001 196 P CB 0.358 31.800 31.700 -0.430 0.000 1.489 197 T N -4.526 109.835 114.554 -0.322 0.000 3.014 197 T HA 0.173 4.522 4.350 -0.001 0.000 0.263 197 T C 1.708 176.394 174.700 -0.024 0.000 1.078 197 T CA 1.153 62.964 62.100 -0.482 0.000 1.135 197 T CB -1.285 67.363 68.868 -0.367 0.000 0.895 197 T HN 0.152 nan 8.240 nan 0.000 0.480 198 G N 0.932 109.804 108.800 0.120 0.000 2.168 198 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.257 198 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.257 198 G C 0.098 175.115 174.900 0.195 0.000 0.997 198 G CA 0.244 45.445 45.100 0.168 0.000 0.708 198 G HN 0.707 nan 8.290 nan 0.000 0.520 199 I N 0.806 121.505 120.570 0.214 0.000 2.406 199 I HA 0.560 4.730 4.170 -0.001 0.000 0.290 199 I C -0.545 175.695 176.117 0.205 0.000 0.999 199 I CA -1.374 60.037 61.300 0.184 0.000 1.124 199 I CB 1.562 39.662 38.000 0.167 0.000 1.289 199 I HN 0.177 nan 8.210 nan 0.000 0.441 200 D N 5.475 125.990 120.400 0.193 0.000 2.269 200 D HA 0.576 5.215 4.640 -0.001 0.000 0.244 200 D C -2.572 173.774 176.300 0.077 0.000 0.992 200 D CA -1.483 52.667 54.000 0.250 0.000 0.894 200 D CB 1.728 42.734 40.800 0.344 0.000 1.248 200 D HN 0.246 nan 8.370 nan 0.000 0.468 201 P HA 0.091 nan 4.420 nan 0.000 0.268 201 P C 0.079 177.314 177.300 -0.109 0.000 1.205 201 P CA -0.268 62.653 63.100 -0.300 0.000 0.771 201 P CB 0.194 31.355 31.700 -0.897 0.000 0.858 202 T N 0.569 115.073 114.554 -0.083 0.000 2.802 202 T HA 0.128 4.477 4.350 -0.001 0.000 0.305 202 T C -1.728 172.984 174.700 0.020 0.000 1.053 202 T CA -1.205 60.880 62.100 -0.026 0.000 1.058 202 T CB -0.284 68.539 68.868 -0.075 0.000 0.988 202 T HN 0.163 nan 8.240 nan 0.000 0.539 203 P HA -0.103 nan 4.420 nan 0.000 0.216 203 P C 1.658 178.879 177.300 -0.132 0.000 1.153 203 P CA 1.022 63.897 63.100 -0.376 0.000 0.858 203 P CB 0.048 31.158 31.700 -0.983 0.000 0.789 204 E N -0.390 119.730 120.200 -0.133 0.000 2.106 204 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 204 E C 2.066 178.634 176.600 -0.053 0.000 0.984 204 E CA 1.146 57.499 56.400 -0.080 0.000 0.806 204 E CB -0.483 29.168 29.700 -0.082 0.000 0.750 204 E HN 0.470 nan 8.360 nan 0.000 0.458 205 Q N -0.894 118.860 119.800 -0.076 0.000 2.123 205 Q HA -0.123 4.216 4.340 -0.001 0.000 0.199 205 Q C 2.059 177.998 176.000 -0.102 0.000 0.966 205 Q CA 1.004 56.729 55.803 -0.131 0.000 0.845 205 Q CB -0.247 28.370 28.738 -0.201 0.000 0.907 205 Q HN 0.348 nan 8.270 nan 0.000 0.439 206 W N 1.580 122.901 121.300 0.035 0.000 2.338 206 W HA -0.194 4.465 4.660 -0.002 0.000 0.304 206 W C 2.153 178.686 176.519 0.023 0.000 1.212 206 W CA 0.905 58.334 57.345 0.140 0.000 1.264 206 W CB 0.076 29.765 29.460 0.383 0.000 1.142 206 W HN 0.067 nan 8.180 nan 0.000 0.512 207 K N 0.032 120.513 120.400 0.134 0.000 2.063 207 K HA -0.246 4.074 4.320 -0.001 0.000 0.208 207 K C 1.923 178.539 176.600 0.028 0.000 1.048 207 K CA 1.762 58.040 56.287 -0.015 0.000 0.928 207 K CB -0.455 32.003 32.500 -0.070 0.000 0.713 207 K HN 0.315 nan 8.250 nan 0.000 0.442 208 Q N 0.467 120.255 119.800 -0.020 0.000 2.079 208 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 208 Q C 2.199 178.126 176.000 -0.122 0.000 0.974 208 Q CA 1.252 57.010 55.803 -0.076 0.000 0.840 208 Q CB -0.148 28.527 28.738 -0.106 0.000 0.898 208 Q HN 0.318 nan 8.270 nan 0.000 0.430 209 I N 0.831 121.314 120.570 -0.144 0.000 2.142 209 I HA -0.300 3.869 4.170 -0.001 0.000 0.240 209 I C 2.477 178.557 176.117 -0.062 0.000 1.078 209 I CA 1.083 62.248 61.300 -0.225 0.000 1.343 209 I CB -0.476 37.361 38.000 -0.272 0.000 1.046 209 I HN 0.161 nan 8.210 nan 0.000 0.405 210 A N -0.207 122.633 122.820 0.033 0.000 1.948 210 A HA -0.293 4.026 4.320 -0.001 0.000 0.220 210 A C 2.490 180.034 177.584 -0.068 0.000 1.177 210 A CA 2.492 54.416 52.037 -0.188 0.000 0.636 210 A CB -0.877 17.926 19.000 -0.329 0.000 0.815 210 A HN 0.460 nan 8.150 nan 0.000 0.449 211 S N -0.783 114.848 115.700 -0.114 0.000 2.371 211 S HA -0.099 4.370 4.470 -0.001 0.000 0.224 211 S C 1.884 176.232 174.600 -0.420 0.000 1.029 211 S CA 1.491 59.520 58.200 -0.285 0.000 0.978 211 S CB -0.521 62.552 63.200 -0.212 0.000 0.833 211 S HN 0.313 nan 8.310 nan 0.000 0.466 212 V N 2.206 121.992 119.914 -0.212 0.000 2.407 212 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 212 V C 2.521 178.546 176.094 -0.116 0.000 1.055 212 V CA 2.093 64.314 62.300 -0.133 0.000 1.049 212 V CB -0.721 31.032 31.823 -0.117 0.000 0.662 212 V HN 0.519 nan 8.190 nan 0.000 0.455 213 M N -0.456 119.099 119.600 -0.076 0.000 2.159 213 M HA -0.182 4.298 4.480 -0.001 0.000 0.263 213 M C 2.546 178.892 176.300 0.076 0.000 1.063 213 M CA 1.775 57.092 55.300 0.027 0.000 1.110 213 M CB -0.384 32.266 32.600 0.083 0.000 1.374 213 M HN 0.243 nan 8.290 nan 0.000 0.411 214 K N -0.467 119.946 120.400 0.022 0.000 2.026 214 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 214 K C 1.524 177.937 176.600 -0.312 0.000 1.048 214 K CA 1.669 57.837 56.287 -0.199 0.000 0.929 214 K CB -0.904 31.376 32.500 -0.366 0.000 0.713 214 K HN 0.634 nan 8.250 nan 0.000 0.439 215 H N -0.925 117.950 119.070 -0.326 0.000 2.518 215 H HA 0.082 4.637 4.556 -0.001 0.000 0.289 215 H C 1.856 176.750 175.328 -0.723 0.000 1.051 215 H CA 0.943 56.711 56.048 -0.466 0.000 1.280 215 H CB 0.187 29.798 29.762 -0.252 0.000 1.380 215 H HN 0.129 nan 8.280 nan 0.000 0.566 216 R N 0.039 120.262 120.500 -0.461 0.000 2.432 216 R HA 0.049 4.388 4.340 -0.001 0.000 0.260 216 R C -0.545 175.503 176.300 -0.421 0.000 0.935 216 R CA -0.186 55.637 56.100 -0.461 0.000 1.080 216 R CB 0.439 30.643 30.300 -0.159 0.000 1.155 216 R HN 0.178 nan 8.270 nan 0.000 0.531 217 F N 0.180 120.080 119.950 -0.084 0.000 3.093 217 F HA -0.254 4.273 4.527 -0.001 0.000 0.287 217 F C -0.042 175.808 175.800 0.083 0.000 0.882 217 F CA 0.073 58.018 58.000 -0.092 0.000 1.063 217 F CB -2.314 36.348 39.000 -0.563 0.000 1.097 217 F HN 0.017 nan 8.300 nan 0.000 0.604 218 L N 0.079 121.432 121.223 0.217 0.000 2.397 218 L HA 0.278 4.618 4.340 -0.001 0.000 0.271 218 L C 0.473 177.565 176.870 0.371 0.000 1.148 218 L CA -0.337 54.667 54.840 0.273 0.000 0.825 218 L CB 0.486 42.618 42.059 0.121 0.000 1.117 218 L HN 0.113 nan 8.230 nan 0.000 0.456 219 F N 5.247 125.334 119.950 0.228 0.000 2.421 219 F HA 0.369 4.895 4.527 -0.001 0.000 0.358 219 F C -2.038 173.777 175.800 0.025 0.000 1.115 219 F CA -2.286 55.786 58.000 0.119 0.000 1.160 219 F CB 0.850 39.785 39.000 -0.108 0.000 1.123 219 F HN 0.215 nan 8.300 nan 0.000 0.508 220 P HA 0.099 nan 4.420 nan 0.000 0.281 220 P C -1.146 175.985 177.300 -0.281 0.000 1.252 220 P CA -0.010 62.814 63.100 -0.461 0.000 0.778 220 P CB 0.467 31.700 31.700 -0.779 0.000 0.895 221 F N 4.994 124.821 119.950 -0.205 0.000 2.434 221 F HA 0.448 4.975 4.527 -0.001 0.000 0.367 221 F C -1.072 174.706 175.800 -0.038 0.000 1.093 221 F CA -2.047 56.011 58.000 0.097 0.000 1.085 221 F CB -0.091 39.099 39.000 0.316 0.000 1.322 221 F HN 0.105 nan 8.300 nan 0.000 0.452 222 F N 3.299 123.497 119.950 0.415 0.000 2.471 222 F HA 0.214 4.740 4.527 -0.001 0.000 0.353 222 F C 0.708 176.681 175.800 0.287 0.000 1.113 222 F CA 0.171 58.302 58.000 0.219 0.000 1.262 222 F CB 0.512 39.561 39.000 0.082 0.000 1.146 222 F HN 0.304 nan 8.300 nan 0.000 0.578 223 D N 1.760 122.361 120.400 0.334 0.000 2.453 223 D HA 0.120 4.759 4.640 -0.001 0.000 0.238 223 D C -0.950 175.459 176.300 0.182 0.000 1.088 223 D CA -0.149 53.974 54.000 0.204 0.000 0.854 223 D CB 1.331 42.185 40.800 0.089 0.000 1.076 223 D HN 0.326 nan 8.370 nan 0.000 0.533 224 S N 2.785 118.563 115.700 0.130 0.000 2.457 224 S HA 0.557 5.026 4.470 -0.001 0.000 0.216 224 S C 0.547 175.111 174.600 -0.059 0.000 1.392 224 S CA -0.306 57.940 58.200 0.078 0.000 1.102 224 S CB 0.188 63.420 63.200 0.053 0.000 1.114 224 S HN 0.479 nan 8.310 nan 0.000 0.484 225 A N 3.244 125.985 122.820 -0.131 0.000 2.220 225 A HA 0.371 4.690 4.320 -0.001 0.000 0.211 225 A C 0.252 177.465 177.584 -0.618 0.000 1.176 225 A CA 0.235 51.995 52.037 -0.461 0.000 0.834 225 A CB -0.020 18.541 19.000 -0.730 0.000 0.868 225 A HN 0.770 nan 8.150 nan 0.000 0.488 226 Y N -0.201 120.130 120.300 0.051 0.000 2.715 226 Y HA 0.294 4.843 4.550 -0.002 0.000 0.255 226 Y C 0.553 176.648 175.900 0.326 0.000 1.139 226 Y CA -0.793 57.407 58.100 0.168 0.000 1.151 226 Y CB 0.014 38.513 38.460 0.066 0.000 1.201 226 Y HN 0.315 nan 8.280 nan 0.000 0.556 227 Q N 0.997 120.970 119.800 0.287 0.000 2.255 227 Q HA 0.318 4.657 4.340 -0.001 0.000 0.280 227 Q C 1.080 177.204 176.000 0.208 0.000 1.068 227 Q CA 1.562 57.505 55.803 0.234 0.000 0.911 227 Q CB 0.291 29.130 28.738 0.167 0.000 1.157 227 Q HN 0.821 nan 8.270 nan 0.000 0.380 228 G N 3.328 112.197 108.800 0.114 0.000 2.391 228 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.204 228 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.204 228 G C 0.275 175.074 174.900 -0.168 0.000 1.012 228 G CA 0.054 45.087 45.100 -0.111 0.000 0.651 228 G HN 0.643 nan 8.290 nan 0.000 0.494 229 F N 1.837 121.824 119.950 0.062 0.000 2.569 229 F HA 0.485 5.011 4.527 -0.003 0.000 0.295 229 F C 2.800 178.629 175.800 0.048 0.000 1.115 229 F CA 1.374 59.405 58.000 0.052 0.000 1.450 229 F CB -0.001 39.054 39.000 0.091 0.000 1.107 229 F HN 0.351 nan 8.300 nan 0.000 0.563 230 A N -0.029 122.936 122.820 0.242 0.000 1.855 230 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 230 A C 2.194 179.849 177.584 0.117 0.000 1.191 230 A CA 2.275 54.422 52.037 0.184 0.000 0.613 230 A CB -0.939 18.185 19.000 0.206 0.000 0.829 230 A HN 0.339 nan 8.150 nan 0.000 0.442 231 S N -3.699 112.048 115.700 0.078 0.000 2.578 231 S HA 0.438 4.908 4.470 -0.001 0.000 0.228 231 S C 1.332 175.921 174.600 -0.019 0.000 1.022 231 S CA 1.113 59.335 58.200 0.036 0.000 0.967 231 S CB 0.403 63.628 63.200 0.042 0.000 0.914 231 S HN 2.010 nan 8.310 nan 0.000 0.515 232 G N 1.775 110.534 108.800 -0.068 0.000 2.179 232 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.260 232 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.260 232 G C -0.132 174.672 174.900 -0.160 0.000 0.977 232 G CA 0.229 45.237 45.100 -0.154 0.000 0.641 232 G HN 0.675 nan 8.290 nan 0.000 0.533 233 N N 0.000 118.645 118.700 -0.092 0.000 2.442 233 N HA 0.464 5.204 4.740 -0.001 0.000 0.274 233 N C 1.373 176.865 175.510 -0.031 0.000 1.002 233 N CA -0.579 52.430 53.050 -0.069 0.000 0.910 233 N CB 1.414 39.891 38.487 -0.017 0.000 1.244 233 N HN 0.018 nan 8.380 nan 0.000 0.492 234 L N 2.823 124.015 121.223 -0.052 0.000 2.141 234 L HA -0.083 4.256 4.340 -0.001 0.000 0.209 234 L C 2.354 179.285 176.870 0.102 0.000 1.094 234 L CA 1.231 56.087 54.840 0.027 0.000 0.763 234 L CB -0.115 41.968 42.059 0.040 0.000 0.908 234 L HN 0.681 nan 8.230 nan 0.000 0.437 235 E N 0.128 120.391 120.200 0.104 0.000 2.047 235 E HA -0.281 4.069 4.350 -0.001 0.000 0.191 235 E C 2.332 179.014 176.600 0.136 0.000 0.987 235 E CA 0.944 57.418 56.400 0.123 0.000 0.799 235 E CB 0.059 29.829 29.700 0.117 0.000 0.752 235 E HN 0.171 nan 8.360 nan 0.000 0.449 236 R N 1.219 121.792 120.500 0.122 0.000 2.073 236 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 236 R C 1.537 177.942 176.300 0.176 0.000 1.134 236 R CA 2.200 58.387 56.100 0.145 0.000 0.952 236 R CB -0.665 29.688 30.300 0.090 0.000 0.850 236 R HN 0.201 nan 8.270 nan 0.000 0.433 237 D N -0.190 120.294 120.400 0.140 0.000 2.263 237 D HA -0.068 4.571 4.640 -0.001 0.000 0.208 237 D C 0.923 177.310 176.300 0.145 0.000 0.971 237 D CA 1.480 55.575 54.000 0.157 0.000 0.867 237 D CB -0.079 40.806 40.800 0.143 0.000 0.929 237 D HN 0.434 nan 8.370 nan 0.000 0.492 238 A N -0.939 121.953 122.820 0.121 0.000 2.307 238 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 238 A C 1.652 179.241 177.584 0.008 0.000 1.228 238 A CA -0.383 51.677 52.037 0.039 0.000 0.857 238 A CB -0.856 18.167 19.000 0.039 0.000 0.897 238 A HN 0.318 nan 8.150 nan 0.000 0.495 239 W N 0.831 122.101 121.300 -0.050 0.000 2.335 239 W HA -0.233 4.426 4.660 -0.001 0.000 0.311 239 W C 2.153 178.602 176.519 -0.117 0.000 1.213 239 W CA 2.435 59.757 57.345 -0.039 0.000 1.274 239 W CB -0.048 29.416 29.460 0.007 0.000 1.148 239 W HN 0.361 nan 8.180 nan 0.000 0.498 240 A N 0.360 123.100 122.820 -0.133 0.000 1.902 240 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 240 A C 1.993 179.166 177.584 -0.684 0.000 1.181 240 A CA 2.010 53.689 52.037 -0.597 0.000 0.623 240 A CB -1.059 17.141 19.000 -1.334 0.000 0.818 240 A HN 0.395 nan 8.150 nan 0.000 0.443 241 I N -0.732 119.357 120.570 -0.802 0.000 2.127 241 I HA -0.325 3.845 4.170 -0.001 0.000 0.241 241 I C 2.796 178.700 176.117 -0.354 0.000 1.075 241 I CA 1.742 62.549 61.300 -0.821 0.000 1.334 241 I CB -0.379 37.279 38.000 -0.569 0.000 1.040 241 I HN 0.308 nan 8.210 nan 0.000 0.405 242 R N -0.524 119.794 120.500 -0.303 0.000 2.096 242 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 242 R C 2.371 178.503 176.300 -0.281 0.000 1.127 242 R CA 1.538 57.506 56.100 -0.220 0.000 0.968 242 R CB -0.566 29.605 30.300 -0.215 0.000 0.861 242 R HN 0.365 nan 8.270 nan 0.000 0.440 243 Y N 0.679 120.603 120.300 -0.627 0.000 2.145 243 Y HA -0.222 4.327 4.550 -0.001 0.000 0.286 243 Y C 1.807 177.564 175.900 -0.238 0.000 1.145 243 Y CA 1.403 59.131 58.100 -0.621 0.000 1.148 243 Y CB -0.349 37.440 38.460 -1.119 0.000 0.981 243 Y HN -0.135 nan 8.280 nan 0.000 0.507 244 F N -0.729 118.978 119.950 -0.406 0.000 2.171 244 F HA -0.231 4.295 4.527 -0.001 0.000 0.300 244 F C 2.404 178.167 175.800 -0.063 0.000 1.090 244 F CA 1.542 59.341 58.000 -0.334 0.000 1.293 244 F CB -1.046 37.514 39.000 -0.734 0.000 1.013 244 F HN -0.097 nan 8.300 nan 0.000 0.486 245 V N -0.122 119.896 119.914 0.174 0.000 2.287 245 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 245 V C 2.483 178.598 176.094 0.035 0.000 1.053 245 V CA 2.156 64.596 62.300 0.234 0.000 1.027 245 V CB -1.277 30.637 31.823 0.152 0.000 0.646 245 V HN 0.512 nan 8.190 nan 0.000 0.447 246 S N -0.299 115.328 115.700 -0.122 0.000 2.423 246 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 246 S C 1.647 176.102 174.600 -0.243 0.000 1.014 246 S CA 1.162 59.253 58.200 -0.181 0.000 0.965 246 S CB -0.398 62.668 63.200 -0.223 0.000 0.785 246 S HN 0.622 nan 8.310 nan 0.000 0.495 247 E N 1.202 121.187 120.200 -0.359 0.000 2.511 247 E HA 0.162 4.511 4.350 -0.001 0.000 0.196 247 E C 1.279 177.713 176.600 -0.278 0.000 1.066 247 E CA 0.571 56.762 56.400 -0.349 0.000 0.871 247 E CB -0.374 29.058 29.700 -0.446 0.000 0.863 247 E HN 0.779 nan 8.360 nan 0.000 0.520 248 G N 1.261 109.985 108.800 -0.127 0.000 2.149 248 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.235 248 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.235 248 G C -0.064 174.795 174.900 -0.069 0.000 1.018 248 G CA -0.247 44.798 45.100 -0.092 0.000 0.728 248 G HN 0.186 nan 8.290 nan 0.000 0.508 249 F N 1.126 121.124 119.950 0.080 0.000 2.429 249 F HA 0.425 4.952 4.527 -0.000 0.000 0.348 249 F C 1.178 177.168 175.800 0.318 0.000 1.109 249 F CA -0.065 58.046 58.000 0.185 0.000 1.232 249 F CB 0.731 39.843 39.000 0.186 0.000 1.157 249 F HN 0.119 nan 8.300 nan 0.000 0.564 250 E N 4.246 124.708 120.200 0.438 0.000 2.200 250 E HA 0.446 4.795 4.350 -0.001 0.000 0.283 250 E C -1.002 175.747 176.600 0.248 0.000 1.015 250 E CA -0.328 56.264 56.400 0.320 0.000 0.819 250 E CB 1.201 31.069 29.700 0.280 0.000 1.081 250 E HN 0.476 nan 8.360 nan 0.000 0.397 251 F N 0.286 120.185 119.950 -0.085 0.000 2.817 251 F HA 0.585 5.111 4.527 -0.001 0.000 0.317 251 F C -1.799 174.033 175.800 0.053 0.000 1.168 251 F CA -1.384 56.363 58.000 -0.422 0.000 0.911 251 F CB 1.003 39.807 39.000 -0.327 0.000 1.337 251 F HN 0.107 nan 8.300 nan 0.000 0.464 252 F N 1.344 121.207 119.950 -0.146 0.000 2.522 252 F HA 0.667 5.193 4.527 -0.001 0.000 0.324 252 F C -0.292 175.566 175.800 0.096 0.000 1.077 252 F CA -2.229 55.643 58.000 -0.213 0.000 0.944 252 F CB 1.673 40.277 39.000 -0.659 0.000 1.175 252 F HN 0.905 nan 8.300 nan 0.000 0.468 253 C N 2.778 122.235 119.300 0.262 0.000 2.432 253 C HA 0.839 5.299 4.460 -0.001 0.000 0.334 253 C C -0.525 174.634 174.990 0.282 0.000 1.155 253 C CA -0.454 58.785 59.018 0.368 0.000 1.335 253 C CB -0.381 27.514 27.740 0.257 0.000 1.964 253 C HN 0.949 nan 8.230 nan 0.000 0.444 254 A N 6.182 129.247 122.820 0.408 0.000 2.269 254 A HA 0.619 4.938 4.320 -0.001 0.000 0.302 254 A C -0.234 177.432 177.584 0.137 0.000 1.266 254 A CA -0.112 52.105 52.037 0.301 0.000 0.894 254 A CB 0.299 19.535 19.000 0.393 0.000 1.147 254 A HN 0.913 nan 8.150 nan 0.000 0.537 255 Q N 1.352 121.180 119.800 0.046 0.000 2.293 255 Q HA 0.543 4.883 4.340 -0.001 0.000 0.261 255 Q C -0.405 175.466 176.000 -0.215 0.000 0.960 255 Q CA -0.423 55.307 55.803 -0.122 0.000 0.882 255 Q CB 2.003 30.643 28.738 -0.163 0.000 1.275 255 Q HN 0.638 nan 8.270 nan 0.000 0.445 256 S N 1.391 116.875 115.700 -0.360 0.000 2.501 256 S HA 0.537 5.006 4.470 -0.001 0.000 0.301 256 S C -0.716 173.529 174.600 -0.591 0.000 1.096 256 S CA -0.568 57.428 58.200 -0.340 0.000 1.063 256 S CB 0.447 63.486 63.200 -0.269 0.000 1.042 256 S HN 0.556 nan 8.310 nan 0.000 0.494 257 F N 2.199 122.164 119.950 0.024 0.000 2.668 257 F HA 0.305 4.831 4.527 -0.002 0.000 0.301 257 F C 2.012 177.814 175.800 0.003 0.000 1.106 257 F CA -0.334 57.712 58.000 0.078 0.000 1.289 257 F CB 0.177 39.163 39.000 -0.023 0.000 1.006 257 F HN 0.481 nan 8.300 nan 0.000 0.535 258 S N 0.131 115.803 115.700 -0.046 0.000 2.402 258 S HA -0.137 4.333 4.470 -0.001 0.000 0.229 258 S C 1.938 176.185 174.600 -0.588 0.000 1.021 258 S CA 1.388 59.426 58.200 -0.269 0.000 0.974 258 S CB 0.024 63.096 63.200 -0.213 0.000 0.800 258 S HN 0.288 nan 8.310 nan 0.000 0.484 259 K N 1.492 121.732 120.400 -0.265 0.000 2.240 259 K HA 0.143 4.462 4.320 -0.001 0.000 0.202 259 K C 1.633 178.438 176.600 0.341 0.000 1.053 259 K CA 0.777 56.994 56.287 -0.116 0.000 0.973 259 K CB -0.177 32.206 32.500 -0.194 0.000 0.924 259 K HN 0.310 nan 8.250 nan 0.000 0.477 260 N N -0.139 118.852 118.700 0.485 0.000 2.457 260 N HA -0.081 4.659 4.740 -0.001 0.000 0.180 260 N C 0.823 176.627 175.510 0.489 0.000 1.050 260 N CA 1.074 54.440 53.050 0.526 0.000 0.906 260 N CB -0.212 38.582 38.487 0.511 0.000 0.968 260 N HN 0.092 nan 8.380 nan 0.000 0.445 261 F N -0.491 119.668 119.950 0.347 0.000 2.704 261 F HA 0.403 4.929 4.527 -0.001 0.000 0.304 261 F C 1.606 177.457 175.800 0.086 0.000 1.094 261 F CA 0.179 58.316 58.000 0.228 0.000 1.275 261 F CB 0.396 39.441 39.000 0.076 0.000 1.073 261 F HN 0.180 nan 8.300 nan 0.000 0.586 262 G N 1.347 110.242 108.800 0.158 0.000 2.198 262 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.260 262 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.260 262 G C 0.423 175.369 174.900 0.077 0.000 1.025 262 G CA 0.262 45.408 45.100 0.075 0.000 0.769 262 G HN 0.374 nan 8.290 nan 0.000 0.507 263 L N -0.005 121.208 121.223 -0.017 0.000 3.036 263 L HA 0.313 4.652 4.340 -0.001 0.000 0.237 263 L C 2.032 178.921 176.870 0.031 0.000 1.319 263 L CA -0.920 53.949 54.840 0.048 0.000 1.112 263 L CB -0.426 41.648 42.059 0.025 0.000 1.480 263 L HN 0.265 nan 8.230 nan 0.000 0.506 264 Y N 0.953 121.318 120.300 0.110 0.000 2.029 264 Y HA -0.381 4.170 4.550 0.002 0.000 0.269 264 Y C 2.397 178.327 175.900 0.049 0.000 1.201 264 Y CA 2.070 60.225 58.100 0.092 0.000 1.115 264 Y CB -0.580 37.947 38.460 0.113 0.000 0.945 264 Y HN 0.597 nan 8.280 nan 0.000 0.497 265 N N -0.460 118.365 118.700 0.207 0.000 2.314 265 N HA -0.055 4.685 4.740 -0.001 0.000 0.200 265 N C 0.499 176.025 175.510 0.027 0.000 1.135 265 N CA 0.557 53.663 53.050 0.093 0.000 0.835 265 N CB -0.180 38.351 38.487 0.073 0.000 0.989 265 N HN 0.376 nan 8.380 nan 0.000 0.478 266 E N 0.585 120.790 120.200 0.010 0.000 2.498 266 E HA 0.112 4.461 4.350 -0.001 0.000 0.203 266 E C -0.267 176.277 176.600 -0.093 0.000 1.013 266 E CA -0.201 56.168 56.400 -0.051 0.000 0.927 266 E CB 0.310 29.970 29.700 -0.067 0.000 1.012 266 E HN 0.127 nan 8.360 nan 0.000 0.482 267 R N -0.005 120.457 120.500 -0.062 0.000 3.146 267 R HA -0.117 4.223 4.340 -0.001 0.000 0.250 267 R C -0.725 175.494 176.300 -0.135 0.000 0.912 267 R CA 0.234 56.282 56.100 -0.087 0.000 0.633 267 R CB -3.098 27.127 30.300 -0.125 0.000 1.180 267 R HN -0.072 nan 8.270 nan 0.000 0.464 268 V N -0.049 119.816 119.914 -0.082 0.000 2.378 268 V HA 0.883 5.002 4.120 -0.001 0.000 0.288 268 V C 1.081 177.279 176.094 0.173 0.000 1.016 268 V CA -0.033 62.215 62.300 -0.086 0.000 0.840 268 V CB 2.145 33.874 31.823 -0.157 0.000 0.994 268 V HN 0.623 nan 8.190 nan 0.000 0.431 269 G N 3.172 112.109 108.800 0.228 0.000 2.682 269 G HA2 0.665 4.624 3.960 -0.001 0.000 0.290 269 G HA3 0.665 4.624 3.960 -0.001 0.000 0.290 269 G C -1.825 173.370 174.900 0.490 0.000 1.425 269 G CA -0.774 44.535 45.100 0.348 0.000 0.807 269 G HN 0.620 nan 8.290 nan 0.000 0.482 270 N N -1.184 117.726 118.700 0.350 0.000 2.324 270 N HA 0.478 5.218 4.740 -0.001 0.000 0.285 270 N C -1.701 173.885 175.510 0.127 0.000 1.076 270 N CA -0.599 52.601 53.050 0.250 0.000 0.864 270 N CB 2.150 40.711 38.487 0.124 0.000 1.632 270 N HN 0.485 nan 8.380 nan 0.000 0.478 271 L N 2.925 124.198 121.223 0.082 0.000 2.255 271 L HA 0.567 4.906 4.340 -0.001 0.000 0.289 271 L C -0.593 176.221 176.870 -0.093 0.000 1.046 271 L CA 0.070 54.914 54.840 0.006 0.000 0.816 271 L CB 0.649 42.682 42.059 -0.045 0.000 1.197 271 L HN 0.578 nan 8.230 nan 0.000 0.427 272 T N 4.542 119.044 114.554 -0.087 0.000 2.817 272 T HA 0.457 4.806 4.350 -0.001 0.000 0.293 272 T C -0.311 174.253 174.700 -0.226 0.000 0.964 272 T CA -0.274 61.741 62.100 -0.142 0.000 1.085 272 T CB 1.078 69.882 68.868 -0.108 0.000 0.921 272 T HN 0.334 nan 8.240 nan 0.000 0.502 273 V N 4.741 124.502 119.914 -0.256 0.000 2.357 273 V HA 0.326 4.445 4.120 -0.001 0.000 0.284 273 V C -0.048 175.921 176.094 -0.208 0.000 1.018 273 V CA -0.753 61.406 62.300 -0.234 0.000 0.841 273 V CB 1.607 33.263 31.823 -0.278 0.000 0.991 273 V HN 0.686 nan 8.190 nan 0.000 0.437 274 V N 5.168 124.895 119.914 -0.313 0.000 2.350 274 V HA 0.777 4.896 4.120 -0.001 0.000 0.276 274 V C 0.785 176.815 176.094 -0.107 0.000 1.028 274 V CA 0.176 62.283 62.300 -0.321 0.000 0.860 274 V CB 0.980 32.382 31.823 -0.703 0.000 0.990 274 V HN 0.948 nan 8.190 nan 0.000 0.453 275 G N 3.328 112.111 108.800 -0.029 0.000 3.175 275 G HA2 0.462 4.422 3.960 -0.001 0.000 0.255 275 G HA3 0.462 4.422 3.960 -0.001 0.000 0.255 275 G C 0.286 175.216 174.900 0.050 0.000 1.352 275 G CA -0.374 44.755 45.100 0.048 0.000 1.037 275 G HN 0.553 nan 8.290 nan 0.000 0.556 276 K N -1.241 119.197 120.400 0.063 0.000 2.168 276 K HA 0.237 4.557 4.320 -0.001 0.000 0.201 276 K C 0.435 177.054 176.600 0.031 0.000 1.049 276 K CA 1.225 57.545 56.287 0.054 0.000 0.974 276 K CB 0.280 32.822 32.500 0.070 0.000 0.792 276 K HN 0.504 nan 8.250 nan 0.000 0.463 277 E N -1.734 118.481 120.200 0.025 0.000 2.412 277 E HA 0.195 4.544 4.350 -0.001 0.000 0.279 277 E C -2.709 173.893 176.600 0.004 0.000 0.984 277 E CA -1.520 54.887 56.400 0.012 0.000 0.788 277 E CB 0.852 30.560 29.700 0.014 0.000 1.277 277 E HN -0.111 nan 8.360 nan 0.000 0.455 278 P HA -0.183 nan 4.420 nan 0.000 0.216 278 P C 0.953 178.246 177.300 -0.011 0.000 1.153 278 P CA 1.981 65.075 63.100 -0.012 0.000 0.858 278 P CB 0.128 31.821 31.700 -0.013 0.000 0.789 279 E N -0.361 119.836 120.200 -0.006 0.000 2.106 279 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 279 E C 2.096 178.693 176.600 -0.006 0.000 0.984 279 E CA 1.693 58.088 56.400 -0.007 0.000 0.806 279 E CB -0.999 28.698 29.700 -0.005 0.000 0.750 279 E HN 0.354 nan 8.360 nan 0.000 0.458 280 S N 0.485 116.188 115.700 0.006 0.000 2.436 280 S HA -0.024 4.445 4.470 -0.001 0.000 0.228 280 S C 1.911 176.517 174.600 0.011 0.000 1.014 280 S CA 0.305 58.516 58.200 0.018 0.000 0.950 280 S CB -0.117 63.110 63.200 0.045 0.000 0.784 280 S HN 0.048 nan 8.310 nan 0.000 0.504 281 I N 2.080 122.648 120.570 -0.004 0.000 2.208 281 I HA -0.092 4.077 4.170 -0.001 0.000 0.245 281 I C 2.342 178.434 176.117 -0.042 0.000 1.097 281 I CA 0.943 62.225 61.300 -0.029 0.000 1.363 281 I CB -1.244 36.734 38.000 -0.037 0.000 1.051 281 I HN 0.295 nan 8.210 nan 0.000 0.413 282 L N 0.390 121.594 121.223 -0.031 0.000 2.042 282 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 282 L C 2.595 179.443 176.870 -0.036 0.000 1.076 282 L CA 1.835 56.655 54.840 -0.033 0.000 0.749 282 L CB -1.303 40.740 42.059 -0.027 0.000 0.893 282 L HN 0.402 nan 8.230 nan 0.000 0.432 283 Q N -1.213 118.568 119.800 -0.032 0.000 2.079 283 Q HA -0.148 4.191 4.340 -0.001 0.000 0.200 283 Q C 2.303 178.287 176.000 -0.027 0.000 0.974 283 Q CA 1.258 57.036 55.803 -0.042 0.000 0.840 283 Q CB -0.038 28.674 28.738 -0.043 0.000 0.898 283 Q HN 0.324 nan 8.270 nan 0.000 0.430 284 V N 1.334 121.238 119.914 -0.017 0.000 2.287 284 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 284 V C 2.234 178.263 176.094 -0.109 0.000 1.053 284 V CA 1.615 63.873 62.300 -0.070 0.000 1.027 284 V CB -0.562 31.145 31.823 -0.193 0.000 0.646 284 V HN 0.372 nan 8.190 nan 0.000 0.447 285 L N 0.837 122.002 121.223 -0.098 0.000 2.079 285 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 285 L C 2.674 179.523 176.870 -0.035 0.000 1.081 285 L CA 1.948 56.740 54.840 -0.080 0.000 0.752 285 L CB -0.766 41.253 42.059 -0.067 0.000 0.896 285 L HN 0.585 nan 8.230 nan 0.000 0.433 286 S N -1.442 114.244 115.700 -0.024 0.000 2.428 286 S HA -0.139 4.330 4.470 -0.001 0.000 0.230 286 S C 1.861 176.475 174.600 0.022 0.000 1.014 286 S CA 0.460 58.654 58.200 -0.010 0.000 0.957 286 S CB -0.124 63.061 63.200 -0.024 0.000 0.784 286 S HN 0.394 nan 8.310 nan 0.000 0.499 287 Q N 0.663 120.500 119.800 0.061 0.000 2.137 287 Q HA 0.210 4.550 4.340 -0.001 0.000 0.198 287 Q C 2.240 178.374 176.000 0.223 0.000 0.960 287 Q CA 0.794 56.705 55.803 0.180 0.000 0.847 287 Q CB -0.451 28.448 28.738 0.268 0.000 0.915 287 Q HN 0.513 nan 8.270 nan 0.000 0.448 288 M N 0.658 120.346 119.600 0.146 0.000 2.149 288 M HA -0.146 4.334 4.480 -0.001 0.000 0.261 288 M C 1.799 178.111 176.300 0.020 0.000 1.064 288 M CA 1.348 56.690 55.300 0.070 0.000 1.102 288 M CB -0.800 31.768 32.600 -0.053 0.000 1.369 288 M HN 0.266 nan 8.290 nan 0.000 0.408 289 E N 0.413 120.620 120.200 0.011 0.000 2.085 289 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 289 E C 2.031 178.618 176.600 -0.022 0.000 0.994 289 E CA 1.294 57.687 56.400 -0.011 0.000 0.801 289 E CB -0.062 29.634 29.700 -0.008 0.000 0.743 289 E HN 0.533 nan 8.360 nan 0.000 0.453 290 K N 0.227 120.637 120.400 0.017 0.000 2.097 290 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 290 K C 2.121 178.710 176.600 -0.020 0.000 1.050 290 K CA 0.897 57.192 56.287 0.014 0.000 0.938 290 K CB -0.037 32.504 32.500 0.068 0.000 0.718 290 K HN 0.125 nan 8.250 nan 0.000 0.442 291 I N 0.487 121.055 120.570 -0.003 0.000 2.202 291 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 291 I C 2.196 178.177 176.117 -0.228 0.000 1.091 291 I CA 0.918 62.179 61.300 -0.066 0.000 1.368 291 I CB -0.280 37.723 38.000 0.005 0.000 1.058 291 I HN -0.098 nan 8.210 nan 0.000 0.410 292 V N 1.021 120.770 119.914 -0.276 0.000 2.332 292 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 292 V C 2.673 178.506 176.094 -0.436 0.000 1.055 292 V CA 2.057 64.038 62.300 -0.532 0.000 1.038 292 V CB -0.739 30.895 31.823 -0.315 0.000 0.651 292 V HN 0.398 nan 8.190 nan 0.000 0.450 293 R N 1.295 121.662 120.500 -0.221 0.000 2.105 293 R HA -0.115 4.224 4.340 -0.001 0.000 0.239 293 R C 1.897 178.114 176.300 -0.138 0.000 1.135 293 R CA 2.083 58.094 56.100 -0.148 0.000 0.967 293 R CB -0.717 29.528 30.300 -0.091 0.000 0.861 293 R HN 0.719 nan 8.270 nan 0.000 0.442 294 I N -2.851 117.632 120.570 -0.146 0.000 3.812 294 I HA 0.204 4.374 4.170 -0.001 0.000 0.320 294 I C 0.133 176.173 176.117 -0.128 0.000 1.276 294 I CA 0.418 61.655 61.300 -0.106 0.000 1.164 294 I CB 0.223 38.177 38.000 -0.076 0.000 1.009 294 I HN -0.058 nan 8.210 nan 0.000 0.431 295 T N 0.854 115.265 114.554 -0.238 0.000 3.234 295 T HA 0.078 4.427 4.350 -0.001 0.000 0.235 295 T C 0.744 175.412 174.700 -0.054 0.000 0.971 295 T CA 0.955 62.912 62.100 -0.240 0.000 1.292 295 T CB -0.134 68.397 68.868 -0.562 0.000 0.994 295 T HN 0.742 nan 8.240 nan 0.000 0.412 296 W N 0.310 121.622 121.300 0.020 0.000 2.304 296 W HA 0.739 5.399 4.660 0.000 0.000 0.326 296 W C 0.949 177.475 176.519 0.011 0.000 0.920 296 W CA -0.179 57.177 57.345 0.020 0.000 1.518 296 W CB -0.211 29.264 29.460 0.026 0.000 1.112 296 W HN 0.340 nan 8.180 nan 0.000 0.528 297 S N 1.063 116.777 115.700 0.023 0.000 1.552 297 S HA -0.335 4.134 4.470 -0.001 0.000 0.237 297 S C 0.165 174.798 174.600 0.056 0.000 0.756 297 S CA 2.292 60.494 58.200 0.002 0.000 1.349 297 S CB -1.812 61.392 63.200 0.006 0.000 1.675 297 S HN 0.913 nan 8.310 nan 0.000 0.517 298 N N 0.744 119.596 118.700 0.253 0.000 2.961 298 N HA 0.692 5.431 4.740 -0.001 0.000 0.245 298 N C -3.368 172.347 175.510 0.341 0.000 1.404 298 N CA -1.080 52.134 53.050 0.274 0.000 0.880 298 N CB 1.484 40.037 38.487 0.111 0.000 1.461 298 N HN 0.317 nan 8.380 nan 0.000 0.510 299 P HA 0.499 nan 4.420 nan 0.000 0.283 299 P C -2.764 174.511 177.300 -0.041 0.000 1.271 299 P CA -1.441 61.658 63.100 -0.002 0.000 0.841 299 P CB 0.635 32.320 31.700 -0.026 0.000 1.122 300 P HA 0.169 nan 4.420 nan 0.000 0.278 300 P C 0.168 177.388 177.300 -0.133 0.000 1.238 300 P CA -0.211 62.827 63.100 -0.103 0.000 0.794 300 P CB 0.826 32.446 31.700 -0.134 0.000 0.955 301 A N 1.992 124.759 122.820 -0.088 0.000 1.943 301 A HA -0.136 4.183 4.320 -0.001 0.000 0.213 301 A C 2.273 179.766 177.584 -0.152 0.000 1.181 301 A CA 1.269 53.241 52.037 -0.108 0.000 0.653 301 A CB -0.965 18.009 19.000 -0.042 0.000 0.833 301 A HN 0.544 nan 8.150 nan 0.000 0.451 302 Q N 0.289 120.020 119.800 -0.115 0.000 2.030 302 Q HA -0.085 4.255 4.340 -0.001 0.000 0.204 302 Q C 1.942 177.838 176.000 -0.174 0.000 0.986 302 Q CA 2.572 58.309 55.803 -0.110 0.000 0.843 302 Q CB -1.008 27.688 28.738 -0.069 0.000 0.904 302 Q HN 0.466 nan 8.270 nan 0.000 0.420 303 G N -0.249 108.421 108.800 -0.215 0.000 2.402 303 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 303 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 303 G C 1.505 176.141 174.900 -0.440 0.000 1.162 303 G CA 1.002 45.934 45.100 -0.280 0.000 0.777 303 G HN 0.552 nan 8.290 nan 0.000 0.539 304 A N 0.798 123.275 122.820 -0.571 0.000 1.908 304 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 304 A C 2.432 179.763 177.584 -0.422 0.000 1.181 304 A CA 1.789 53.321 52.037 -0.843 0.000 0.627 304 A CB -0.419 18.024 19.000 -0.928 0.000 0.818 304 A HN 0.369 nan 8.150 nan 0.000 0.445 305 R N -0.666 119.666 120.500 -0.281 0.000 2.073 305 R HA -0.063 4.277 4.340 -0.001 0.000 0.234 305 R C 2.055 178.249 176.300 -0.177 0.000 1.134 305 R CA 1.625 57.620 56.100 -0.176 0.000 0.952 305 R CB -0.521 29.700 30.300 -0.131 0.000 0.850 305 R HN 0.594 nan 8.270 nan 0.000 0.433 306 I N 0.217 120.663 120.570 -0.207 0.000 2.151 306 I HA -0.319 3.850 4.170 -0.001 0.000 0.243 306 I C 2.273 178.217 176.117 -0.287 0.000 1.080 306 I CA 1.391 62.574 61.300 -0.194 0.000 1.339 306 I CB -0.351 37.545 38.000 -0.172 0.000 1.039 306 I HN 0.005 nan 8.210 nan 0.000 0.409 307 V N 0.931 120.536 119.914 -0.516 0.000 2.295 307 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 307 V C 2.726 178.598 176.094 -0.370 0.000 1.049 307 V CA 1.980 63.801 62.300 -0.798 0.000 1.024 307 V CB -1.093 30.084 31.823 -1.076 0.000 0.648 307 V HN 0.510 nan 8.190 nan 0.000 0.447 308 A N -0.082 122.631 122.820 -0.178 0.000 1.908 308 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 308 A C 2.463 180.000 177.584 -0.079 0.000 1.181 308 A CA 2.461 54.445 52.037 -0.088 0.000 0.627 308 A CB -0.738 18.250 19.000 -0.020 0.000 0.818 308 A HN 0.534 nan 8.150 nan 0.000 0.445 309 S N -0.627 115.025 115.700 -0.081 0.000 2.402 309 S HA -0.097 4.373 4.470 -0.001 0.000 0.229 309 S C 1.984 176.578 174.600 -0.008 0.000 1.021 309 S CA 1.626 59.801 58.200 -0.042 0.000 0.974 309 S CB -0.434 62.740 63.200 -0.044 0.000 0.800 309 S HN 0.713 nan 8.310 nan 0.000 0.484 310 T N 2.937 117.484 114.554 -0.012 0.000 2.732 310 T HA 0.133 4.482 4.350 -0.001 0.000 0.261 310 T C 1.780 176.557 174.700 0.129 0.000 1.040 310 T CA 0.823 62.960 62.100 0.062 0.000 1.145 310 T CB -0.393 68.537 68.868 0.103 0.000 0.866 310 T HN 0.235 nan 8.240 nan 0.000 0.427 311 L N 1.771 123.039 121.223 0.075 0.000 2.141 311 L HA -0.056 4.284 4.340 -0.001 0.000 0.209 311 L C 2.780 179.697 176.870 0.078 0.000 1.094 311 L CA 1.313 56.254 54.840 0.169 0.000 0.763 311 L CB -0.725 41.352 42.059 0.029 0.000 0.908 311 L HN 0.384 nan 8.230 nan 0.000 0.437 312 S N -1.417 114.291 115.700 0.014 0.000 2.522 312 S HA -0.060 4.410 4.470 -0.001 0.000 0.227 312 S C 0.901 175.504 174.600 0.005 0.000 0.986 312 S CA -0.062 58.129 58.200 -0.015 0.000 0.929 312 S CB -0.340 62.842 63.200 -0.030 0.000 0.769 312 S HN 0.402 nan 8.310 nan 0.000 0.529 313 N N 1.849 120.580 118.700 0.052 0.000 2.424 313 N HA 0.332 5.072 4.740 -0.001 0.000 0.271 313 N C -2.487 173.094 175.510 0.118 0.000 0.985 313 N CA -2.013 51.074 53.050 0.061 0.000 0.921 313 N CB 2.024 40.545 38.487 0.056 0.000 1.149 313 N HN -0.120 nan 8.380 nan 0.000 0.492 314 P HA -0.131 nan 4.420 nan 0.000 0.216 314 P C 1.130 178.543 177.300 0.189 0.000 1.150 314 P CA 1.002 64.172 63.100 0.117 0.000 0.843 314 P CB 0.444 32.174 31.700 0.050 0.000 0.787 315 E N -0.621 119.656 120.200 0.128 0.000 2.028 315 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 315 E C 2.084 178.759 176.600 0.126 0.000 0.988 315 E CA 0.890 57.355 56.400 0.109 0.000 0.799 315 E CB -1.250 28.491 29.700 0.069 0.000 0.755 315 E HN 0.202 nan 8.360 nan 0.000 0.447 316 L N -0.633 120.668 121.223 0.130 0.000 2.083 316 L HA -0.034 4.306 4.340 -0.001 0.000 0.209 316 L C 2.436 179.425 176.870 0.199 0.000 1.083 316 L CA 1.709 56.627 54.840 0.131 0.000 0.752 316 L CB -0.592 41.531 42.059 0.107 0.000 0.899 316 L HN 0.287 nan 8.230 nan 0.000 0.433 317 F N 1.179 121.207 119.950 0.129 0.000 2.065 317 F HA -0.311 4.216 4.527 0.000 0.000 0.298 317 F C 2.641 178.572 175.800 0.217 0.000 1.112 317 F CA 2.206 60.336 58.000 0.216 0.000 1.212 317 F CB -0.114 38.983 39.000 0.163 0.000 0.975 317 F HN 0.084 nan 8.300 nan 0.000 0.476 318 E N -0.007 120.313 120.200 0.200 0.000 2.110 318 E HA -0.291 4.059 4.350 -0.001 0.000 0.193 318 E C 2.233 178.805 176.600 -0.046 0.000 0.988 318 E CA 1.337 57.767 56.400 0.050 0.000 0.804 318 E CB -0.324 29.455 29.700 0.132 0.000 0.745 318 E HN 0.686 nan 8.360 nan 0.000 0.458 319 E N -0.214 119.994 120.200 0.013 0.000 2.051 319 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 319 E C 1.798 178.366 176.600 -0.053 0.000 0.991 319 E CA 1.403 57.798 56.400 -0.009 0.000 0.799 319 E CB -0.369 29.346 29.700 0.026 0.000 0.748 319 E HN 0.409 nan 8.360 nan 0.000 0.449 320 W N 1.890 123.042 121.300 -0.247 0.000 2.335 320 W HA -0.246 4.413 4.660 -0.002 0.000 0.311 320 W C 2.468 178.743 176.519 -0.407 0.000 1.213 320 W CA 3.230 60.352 57.345 -0.372 0.000 1.274 320 W CB -0.999 28.184 29.460 -0.463 0.000 1.148 320 W HN 0.194 nan 8.180 nan 0.000 0.498 321 T N -1.964 112.151 114.554 -0.732 0.000 2.759 321 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 321 T C 2.061 176.427 174.700 -0.558 0.000 1.042 321 T CA 1.864 63.429 62.100 -0.892 0.000 1.140 321 T CB -1.466 66.986 68.868 -0.694 0.000 0.864 321 T HN 0.261 nan 8.240 nan 0.000 0.455 322 G N 1.737 110.332 108.800 -0.342 0.000 2.476 322 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 322 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 322 G C 1.591 176.377 174.900 -0.189 0.000 1.164 322 G CA 1.022 45.998 45.100 -0.207 0.000 0.768 322 G HN 0.701 nan 8.290 nan 0.000 0.560 323 N N -0.095 118.482 118.700 -0.205 0.000 2.120 323 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 323 N C 2.166 177.573 175.510 -0.172 0.000 1.024 323 N CA 0.962 53.969 53.050 -0.072 0.000 0.852 323 N CB -0.087 38.312 38.487 -0.147 0.000 1.003 323 N HN 0.200 nan 8.380 nan 0.000 0.424 324 V N 1.349 120.966 119.914 -0.495 0.000 2.427 324 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 324 V C 2.278 178.087 176.094 -0.475 0.000 1.051 324 V CA 1.413 63.352 62.300 -0.602 0.000 1.048 324 V CB -0.391 30.895 31.823 -0.896 0.000 0.666 324 V HN 0.196 nan 8.190 nan 0.000 0.456 325 K N 0.672 120.846 120.400 -0.377 0.000 2.057 325 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 325 K C 2.139 178.622 176.600 -0.195 0.000 1.049 325 K CA 2.091 58.222 56.287 -0.261 0.000 0.931 325 K CB -0.990 31.387 32.500 -0.205 0.000 0.714 325 K HN 0.494 nan 8.250 nan 0.000 0.440 326 T N 0.970 115.426 114.554 -0.164 0.000 2.720 326 T HA -0.147 4.202 4.350 -0.001 0.000 0.268 326 T C 1.848 176.436 174.700 -0.187 0.000 1.037 326 T CA 1.826 63.840 62.100 -0.143 0.000 1.144 326 T CB -0.153 68.651 68.868 -0.107 0.000 0.864 326 T HN 0.214 nan 8.240 nan 0.000 0.444 327 M N 0.784 120.218 119.600 -0.275 0.000 2.099 327 M HA -0.022 4.458 4.480 -0.001 0.000 0.262 327 M C 2.898 179.158 176.300 -0.066 0.000 1.067 327 M CA 1.539 56.640 55.300 -0.332 0.000 1.124 327 M CB -0.530 31.730 32.600 -0.567 0.000 1.353 327 M HN 0.306 nan 8.290 nan 0.000 0.410 328 A N 0.576 123.289 122.820 -0.179 0.000 1.883 328 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 328 A C 1.718 179.289 177.584 -0.021 0.000 1.186 328 A CA 2.201 54.188 52.037 -0.083 0.000 0.624 328 A CB -0.806 18.094 19.000 -0.167 0.000 0.822 328 A HN 0.392 nan 8.150 nan 0.000 0.444 329 D N -1.010 119.358 120.400 -0.053 0.000 2.117 329 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 329 D C 2.093 178.391 176.300 -0.003 0.000 0.987 329 D CA 1.105 55.087 54.000 -0.031 0.000 0.829 329 D CB -0.326 40.444 40.800 -0.051 0.000 0.961 329 D HN 0.462 nan 8.370 nan 0.000 0.460 330 R N 0.178 120.689 120.500 0.018 0.000 2.096 330 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 330 R C 2.361 178.694 176.300 0.055 0.000 1.127 330 R CA 0.707 56.832 56.100 0.041 0.000 0.968 330 R CB -0.214 30.143 30.300 0.095 0.000 0.861 330 R HN 0.184 nan 8.270 nan 0.000 0.440 331 I N 0.634 121.264 120.570 0.100 0.000 2.226 331 I HA -0.321 3.848 4.170 -0.001 0.000 0.245 331 I C 2.161 178.306 176.117 0.047 0.000 1.100 331 I CA 1.176 62.528 61.300 0.087 0.000 1.374 331 I CB -0.196 37.887 38.000 0.138 0.000 1.057 331 I HN 0.208 nan 8.210 nan 0.000 0.413 332 L N 0.009 121.254 121.223 0.037 0.000 2.012 332 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 332 L C 2.655 179.533 176.870 0.014 0.000 1.073 332 L CA 1.826 56.681 54.840 0.025 0.000 0.748 332 L CB -0.901 41.167 42.059 0.015 0.000 0.891 332 L HN 0.281 nan 8.230 nan 0.000 0.431 333 T N -0.712 113.846 114.554 0.007 0.000 2.684 333 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 333 T C 1.930 176.627 174.700 -0.006 0.000 1.036 333 T CA 1.284 63.382 62.100 -0.003 0.000 1.148 333 T CB -0.130 68.731 68.868 -0.012 0.000 0.863 333 T HN 0.140 nan 8.240 nan 0.000 0.436 334 M N 0.974 120.571 119.600 -0.006 0.000 2.213 334 M HA 0.017 4.496 4.480 -0.001 0.000 0.263 334 M C 2.267 178.563 176.300 -0.007 0.000 1.062 334 M CA 1.303 56.595 55.300 -0.013 0.000 1.105 334 M CB -1.023 31.565 32.600 -0.019 0.000 1.385 334 M HN 0.236 nan 8.290 nan 0.000 0.417 335 R N -0.250 120.254 120.500 0.006 0.000 2.073 335 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 335 R C 2.367 178.670 176.300 0.006 0.000 1.134 335 R CA 1.882 57.989 56.100 0.012 0.000 0.952 335 R CB -0.456 29.860 30.300 0.027 0.000 0.850 335 R HN 0.355 nan 8.270 nan 0.000 0.433 336 S N 0.902 116.606 115.700 0.005 0.000 2.383 336 S HA -0.099 4.371 4.470 -0.001 0.000 0.227 336 S C 1.653 176.248 174.600 -0.008 0.000 1.026 336 S CA 1.001 59.204 58.200 0.004 0.000 0.981 336 S CB -0.092 63.111 63.200 0.004 0.000 0.818 336 S HN 0.282 nan 8.310 nan 0.000 0.472 337 E N 1.104 121.294 120.200 -0.015 0.000 2.107 337 E HA -0.003 4.346 4.350 -0.001 0.000 0.191 337 E C 2.093 178.668 176.600 -0.042 0.000 0.982 337 E CA 0.423 56.807 56.400 -0.026 0.000 0.809 337 E CB -0.503 29.181 29.700 -0.026 0.000 0.756 337 E HN 0.338 nan 8.360 nan 0.000 0.459 338 L N 1.617 122.813 121.223 -0.044 0.000 2.017 338 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 338 L C 2.543 179.350 176.870 -0.105 0.000 1.073 338 L CA 1.818 56.613 54.840 -0.075 0.000 0.745 338 L CB -0.483 41.539 42.059 -0.062 0.000 0.894 338 L HN -0.025 nan 8.230 nan 0.000 0.432 339 R N -0.580 119.886 120.500 -0.056 0.000 2.070 339 R HA -0.148 4.191 4.340 -0.001 0.000 0.233 339 R C 2.174 178.453 176.300 -0.034 0.000 1.137 339 R CA 1.560 57.645 56.100 -0.026 0.000 0.945 339 R CB -0.516 29.808 30.300 0.040 0.000 0.845 339 R HN 0.449 nan 8.270 nan 0.000 0.430 340 A N 1.195 124.002 122.820 -0.023 0.000 1.883 340 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 340 A C 2.261 179.818 177.584 -0.045 0.000 1.186 340 A CA 1.726 53.751 52.037 -0.019 0.000 0.624 340 A CB -0.571 18.420 19.000 -0.014 0.000 0.822 340 A HN 0.413 nan 8.150 nan 0.000 0.444 341 R N -0.733 119.726 120.500 -0.069 0.000 2.080 341 R HA -0.086 4.254 4.340 -0.001 0.000 0.236 341 R C 2.143 178.367 176.300 -0.126 0.000 1.137 341 R CA 1.687 57.734 56.100 -0.089 0.000 0.943 341 R CB -0.558 29.688 30.300 -0.092 0.000 0.846 341 R HN 0.535 nan 8.270 nan 0.000 0.431 342 L N 0.536 121.638 121.223 -0.202 0.000 2.083 342 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 342 L C 2.206 178.962 176.870 -0.189 0.000 1.083 342 L CA 1.411 56.064 54.840 -0.312 0.000 0.752 342 L CB -0.373 41.261 42.059 -0.708 0.000 0.899 342 L HN 0.270 nan 8.230 nan 0.000 0.433 343 E N 0.034 120.175 120.200 -0.099 0.000 2.110 343 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 343 E C 2.294 178.897 176.600 0.005 0.000 0.988 343 E CA 1.077 57.487 56.400 0.016 0.000 0.804 343 E CB -0.149 29.586 29.700 0.058 0.000 0.745 343 E HN 0.511 nan 8.360 nan 0.000 0.458 344 A N 0.891 123.695 122.820 -0.027 0.000 1.969 344 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 344 A C 2.004 179.561 177.584 -0.046 0.000 1.169 344 A CA 0.858 52.877 52.037 -0.031 0.000 0.635 344 A CB -0.350 18.625 19.000 -0.041 0.000 0.810 344 A HN 0.136 nan 8.150 nan 0.000 0.445 345 L N -0.863 120.316 121.223 -0.073 0.000 2.599 345 L HA 0.030 4.369 4.340 -0.001 0.000 0.230 345 L C 0.182 177.052 176.870 0.000 0.000 1.141 345 L CA 0.019 54.786 54.840 -0.122 0.000 0.877 345 L CB -0.048 41.868 42.059 -0.239 0.000 1.009 345 L HN 0.198 nan 8.230 nan 0.000 0.447 346 K N -0.589 119.842 120.400 0.051 0.000 3.071 346 K HA -0.141 4.178 4.320 -0.001 0.000 0.265 346 K C 0.020 176.732 176.600 0.187 0.000 1.060 346 K CA 0.577 56.930 56.287 0.111 0.000 0.767 346 K CB -2.820 29.737 32.500 0.094 0.000 1.241 346 K HN 0.277 nan 8.250 nan 0.000 0.486 347 T N 2.476 117.149 114.554 0.199 0.000 2.902 347 T HA 0.216 4.566 4.350 -0.001 0.000 0.301 347 T C -2.016 172.880 174.700 0.328 0.000 1.012 347 T CA -0.783 61.446 62.100 0.215 0.000 1.151 347 T CB 0.663 69.540 68.868 0.014 0.000 0.946 347 T HN 0.019 nan 8.240 nan 0.000 0.542 348 P HA 0.457 nan 4.420 nan 0.000 0.271 348 P C 0.500 177.944 177.300 0.239 0.000 1.216 348 P CA 0.549 63.756 63.100 0.179 0.000 0.776 348 P CB 0.465 32.200 31.700 0.059 0.000 0.881 349 G N 1.169 110.013 108.800 0.073 0.000 2.525 349 G HA2 0.122 4.082 3.960 -0.001 0.000 0.685 349 G HA3 0.122 4.082 3.960 -0.001 0.000 0.685 349 G C -0.659 174.093 174.900 -0.247 0.000 1.290 349 G CA -0.377 44.619 45.100 -0.173 0.000 0.915 349 G HN 0.726 nan 8.290 nan 0.000 0.548 350 T N -2.936 111.360 114.554 -0.429 0.000 2.929 350 T HA 0.642 4.991 4.350 -0.001 0.000 0.284 350 T C 0.118 174.475 174.700 -0.571 0.000 1.014 350 T CA -0.035 61.894 62.100 -0.285 0.000 1.051 350 T CB 1.987 70.779 68.868 -0.127 0.000 1.028 350 T HN 0.898 nan 8.240 nan 0.000 0.485 351 W N 0.716 122.109 121.300 0.154 0.000 2.499 351 W HA 0.262 4.923 4.660 0.003 0.000 0.362 351 W C 1.676 178.192 176.519 -0.004 0.000 0.945 351 W CA -0.725 56.673 57.345 0.088 0.000 1.721 351 W CB 0.338 29.807 29.460 0.015 0.000 1.156 351 W HN 0.800 nan 8.180 nan 0.000 0.547 352 N N 0.944 119.766 118.700 0.204 0.000 2.381 352 N HA -0.220 4.520 4.740 -0.001 0.000 0.182 352 N C 1.510 177.102 175.510 0.136 0.000 1.025 352 N CA 1.588 54.720 53.050 0.138 0.000 0.888 352 N CB -0.883 37.666 38.487 0.104 0.000 0.965 352 N HN 0.391 nan 8.380 nan 0.000 0.438 353 H N 1.260 120.389 119.070 0.098 0.000 2.456 353 H HA 0.013 4.569 4.556 -0.000 0.000 0.296 353 H C 1.852 177.286 175.328 0.178 0.000 1.079 353 H CA 0.416 56.544 56.048 0.134 0.000 1.322 353 H CB -0.291 29.560 29.762 0.147 0.000 1.388 353 H HN 0.103 nan 8.280 nan 0.000 0.538 354 I N 2.293 122.711 120.570 -0.253 0.000 2.226 354 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 354 I C 2.442 178.573 176.117 0.024 0.000 1.100 354 I CA 1.950 63.196 61.300 -0.090 0.000 1.374 354 I CB -1.309 36.655 38.000 -0.060 0.000 1.057 354 I HN 0.456 nan 8.210 nan 0.000 0.413 355 T N -2.973 111.604 114.554 0.037 0.000 3.067 355 T HA 0.022 4.371 4.350 -0.001 0.000 0.257 355 T C 1.376 176.116 174.700 0.068 0.000 1.105 355 T CA 0.295 62.426 62.100 0.052 0.000 1.104 355 T CB -0.054 68.840 68.868 0.045 0.000 0.925 355 T HN 0.127 nan 8.240 nan 0.000 0.498 356 D N 1.574 122.027 120.400 0.089 0.000 2.183 356 D HA 0.044 4.683 4.640 -0.001 0.000 0.203 356 D C 1.063 177.432 176.300 0.114 0.000 0.969 356 D CA 0.721 54.780 54.000 0.098 0.000 0.842 356 D CB -0.091 40.780 40.800 0.118 0.000 0.957 356 D HN 0.550 nan 8.370 nan 0.000 0.484 357 Q N -0.115 119.767 119.800 0.138 0.000 2.368 357 Q HA 0.392 4.731 4.340 -0.001 0.000 0.237 357 Q C -0.124 175.948 176.000 0.120 0.000 0.987 357 Q CA -0.302 55.593 55.803 0.154 0.000 0.896 357 Q CB 1.317 30.170 28.738 0.191 0.000 1.241 357 Q HN 0.126 nan 8.270 nan 0.000 0.485 358 I N -2.653 117.992 120.570 0.125 0.000 3.174 358 I HA 0.899 5.068 4.170 -0.001 0.000 0.313 358 I C 0.202 176.379 176.117 0.099 0.000 1.155 358 I CA -0.321 61.045 61.300 0.110 0.000 0.977 358 I CB 1.419 39.489 38.000 0.117 0.000 1.248 358 I HN 0.716 nan 8.210 nan 0.000 0.453 359 G N 1.434 110.292 108.800 0.096 0.000 2.568 359 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.222 359 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.222 359 G C 0.209 175.059 174.900 -0.082 0.000 1.321 359 G CA 0.053 45.169 45.100 0.028 0.000 0.893 359 G HN 0.860 nan 8.290 nan 0.000 0.569 360 M N -0.421 118.919 119.600 -0.435 0.000 2.419 360 M HA 0.288 4.767 4.480 -0.001 0.000 0.264 360 M C 0.227 176.143 176.300 -0.641 0.000 1.082 360 M CA 1.026 55.927 55.300 -0.665 0.000 1.119 360 M CB -0.013 31.849 32.600 -1.231 0.000 1.398 360 M HN 0.284 nan 8.290 nan 0.000 0.453 361 F N -1.650 118.242 119.950 -0.096 0.000 2.523 361 F HA 0.430 4.957 4.527 -0.002 0.000 0.329 361 F C 0.254 176.069 175.800 0.025 0.000 1.061 361 F CA -1.122 56.855 58.000 -0.037 0.000 0.967 361 F CB 1.481 40.442 39.000 -0.065 0.000 1.218 361 F HN -0.371 nan 8.300 nan 0.000 0.480 362 S N 1.157 117.025 115.700 0.279 0.000 2.502 362 S HA 0.527 4.996 4.470 -0.001 0.000 0.304 362 S C -1.426 173.339 174.600 0.275 0.000 1.097 362 S CA -0.404 57.934 58.200 0.230 0.000 1.045 362 S CB 0.346 63.640 63.200 0.156 0.000 1.019 362 S HN 0.411 nan 8.310 nan 0.000 0.481 363 F N 4.709 124.690 119.950 0.051 0.000 2.377 363 F HA 0.284 4.810 4.527 -0.001 0.000 0.360 363 F C 1.819 177.698 175.800 0.133 0.000 1.147 363 F CA -0.665 57.297 58.000 -0.063 0.000 1.170 363 F CB 0.639 39.397 39.000 -0.402 0.000 1.339 363 F HN 0.765 nan 8.300 nan 0.000 0.552 364 T N 0.250 114.829 114.554 0.042 0.000 2.995 364 T HA 0.142 4.491 4.350 -0.001 0.000 0.269 364 T C 1.772 176.633 174.700 0.268 0.000 1.091 364 T CA 0.775 63.029 62.100 0.257 0.000 1.128 364 T CB -0.344 68.645 68.868 0.202 0.000 0.891 364 T HN 1.019 nan 8.240 nan 0.000 0.492 365 G N 1.125 109.888 108.800 -0.062 0.000 2.176 365 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.253 365 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.253 365 G C -0.008 174.837 174.900 -0.091 0.000 0.979 365 G CA 0.081 45.120 45.100 -0.102 0.000 0.641 365 G HN 0.637 nan 8.290 nan 0.000 0.530 366 L N 1.645 122.836 121.223 -0.052 0.000 2.416 366 L HA 0.321 4.661 4.340 -0.001 0.000 0.272 366 L C 1.070 177.895 176.870 -0.075 0.000 1.161 366 L CA -0.362 54.466 54.840 -0.019 0.000 0.845 366 L CB 0.378 42.453 42.059 0.025 0.000 1.119 366 L HN 0.541 nan 8.230 nan 0.000 0.464 367 N N 3.574 122.241 118.700 -0.055 0.000 2.408 367 N HA 0.241 4.980 4.740 -0.001 0.000 0.260 367 N C -2.247 173.237 175.510 -0.045 0.000 1.242 367 N CA -1.664 51.350 53.050 -0.060 0.000 0.959 367 N CB 0.083 38.533 38.487 -0.061 0.000 1.201 367 N HN 0.171 nan 8.380 nan 0.000 0.511 368 P HA -0.054 nan 4.420 nan 0.000 0.221 368 P C 0.769 178.064 177.300 -0.009 0.000 1.150 368 P CA 1.423 64.510 63.100 -0.022 0.000 0.800 368 P CB 0.213 31.905 31.700 -0.012 0.000 0.787 369 K N -0.303 120.091 120.400 -0.009 0.000 2.155 369 K HA -0.078 4.242 4.320 -0.001 0.000 0.203 369 K C 2.140 178.751 176.600 0.019 0.000 1.052 369 K CA 1.107 57.396 56.287 0.003 0.000 0.948 369 K CB -0.123 32.372 32.500 -0.007 0.000 0.728 369 K HN 0.237 nan 8.250 nan 0.000 0.448 370 Q N 0.215 120.016 119.800 0.003 0.000 2.119 370 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 370 Q C 2.094 178.137 176.000 0.071 0.000 0.972 370 Q CA 1.030 56.847 55.803 0.025 0.000 0.847 370 Q CB 0.042 28.779 28.738 -0.002 0.000 0.903 370 Q HN 0.051 nan 8.270 nan 0.000 0.433 371 V N 1.353 121.282 119.914 0.025 0.000 2.307 371 V HA -0.282 3.837 4.120 -0.001 0.000 0.245 371 V C 2.284 178.376 176.094 -0.003 0.000 1.045 371 V CA 2.135 64.439 62.300 0.006 0.000 1.024 371 V CB -0.612 31.199 31.823 -0.019 0.000 0.651 371 V HN 0.466 nan 8.190 nan 0.000 0.449 372 E N -0.443 119.759 120.200 0.004 0.000 2.097 372 E HA -0.333 4.016 4.350 -0.001 0.000 0.196 372 E C 2.192 178.790 176.600 -0.003 0.000 1.000 372 E CA 2.193 58.587 56.400 -0.010 0.000 0.804 372 E CB -0.397 29.308 29.700 0.007 0.000 0.740 372 E HN 0.724 nan 8.360 nan 0.000 0.454 373 Y N 1.232 121.488 120.300 -0.074 0.000 2.114 373 Y HA -0.205 4.346 4.550 0.002 0.000 0.284 373 Y C 2.094 177.936 175.900 -0.097 0.000 1.143 373 Y CA 1.931 59.987 58.100 -0.074 0.000 1.135 373 Y CB -0.441 37.986 38.460 -0.056 0.000 0.980 373 Y HN 0.011 nan 8.280 nan 0.000 0.499 374 L N -0.724 120.467 121.223 -0.053 0.000 1.997 374 L HA -0.313 4.026 4.340 -0.001 0.000 0.216 374 L C 2.390 179.096 176.870 -0.274 0.000 1.074 374 L CA 1.756 56.496 54.840 -0.167 0.000 0.763 374 L CB -1.016 41.022 42.059 -0.034 0.000 0.890 374 L HN 0.197 nan 8.230 nan 0.000 0.434 375 V N -0.126 119.622 119.914 -0.276 0.000 2.261 375 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 375 V C 2.154 177.931 176.094 -0.529 0.000 1.047 375 V CA 2.070 64.095 62.300 -0.459 0.000 1.015 375 V CB -0.610 30.999 31.823 -0.356 0.000 0.642 375 V HN 0.478 nan 8.190 nan 0.000 0.446 376 N N -0.587 117.887 118.700 -0.376 0.000 2.290 376 N HA -0.068 4.672 4.740 -0.001 0.000 0.179 376 N C 1.846 177.117 175.510 -0.398 0.000 1.016 376 N CA 0.864 53.699 53.050 -0.357 0.000 0.871 376 N CB -0.109 38.269 38.487 -0.182 0.000 0.987 376 N HN 0.436 nan 8.380 nan 0.000 0.431 377 E N 0.711 120.670 120.200 -0.401 0.000 2.075 377 E HA 0.079 4.429 4.350 -0.001 0.000 0.190 377 E C 1.167 177.627 176.600 -0.234 0.000 0.969 377 E CA 0.843 57.025 56.400 -0.363 0.000 0.815 377 E CB 0.115 29.437 29.700 -0.629 0.000 0.776 377 E HN 0.178 nan 8.360 nan 0.000 0.457 378 K N 0.104 120.314 120.400 -0.317 0.000 2.358 378 K HA 0.107 4.426 4.320 -0.001 0.000 0.197 378 K C -0.276 176.455 176.600 0.219 0.000 1.025 378 K CA -0.155 56.104 56.287 -0.047 0.000 1.104 378 K CB 0.276 32.616 32.500 -0.267 0.000 0.855 378 K HN 0.279 nan 8.250 nan 0.000 0.531 379 H N 0.220 119.237 119.070 -0.087 0.000 2.791 379 H HA -0.166 4.393 4.556 0.005 0.000 0.302 379 H C -0.345 174.999 175.328 0.028 0.000 1.198 379 H CA 0.564 56.576 56.048 -0.060 0.000 1.145 379 H CB -1.960 27.871 29.762 0.116 0.000 1.385 379 H HN 0.172 nan 8.280 nan 0.000 0.409 380 I N 1.350 121.900 120.570 -0.034 0.000 2.330 380 I HA 0.146 4.315 4.170 -0.001 0.000 0.289 380 I C 0.058 176.125 176.117 -0.083 0.000 1.001 380 I CA -0.538 60.810 61.300 0.081 0.000 1.193 380 I CB 0.646 38.684 38.000 0.063 0.000 1.345 380 I HN -0.025 nan 8.210 nan 0.000 0.461 381 Y N 7.563 127.916 120.300 0.089 0.000 2.383 381 Y HA 0.563 5.111 4.550 -0.004 0.000 0.344 381 Y C 0.218 176.130 175.900 0.019 0.000 0.986 381 Y CA -0.564 57.570 58.100 0.057 0.000 1.175 381 Y CB 0.862 39.374 38.460 0.086 0.000 1.152 381 Y HN 0.405 nan 8.280 nan 0.000 0.511 382 L N 0.841 122.124 121.223 0.100 0.000 2.397 382 L HA 0.716 5.055 4.340 -0.001 0.000 0.251 382 L C -1.397 175.499 176.870 0.044 0.000 1.064 382 L CA -1.356 53.525 54.840 0.068 0.000 0.859 382 L CB 1.697 43.780 42.059 0.039 0.000 1.468 382 L HN 0.309 nan 8.230 nan 0.000 0.411 383 L N 0.763 121.999 121.223 0.021 0.000 2.436 383 L HA 0.276 4.615 4.340 -0.001 0.000 0.265 383 L C -1.482 175.378 176.870 -0.017 0.000 1.168 383 L CA -1.454 53.386 54.840 0.000 0.000 0.815 383 L CB 0.700 42.746 42.059 -0.021 0.000 1.109 383 L HN 0.524 nan 8.230 nan 0.000 0.462 384 P HA -0.151 nan 4.420 nan 0.000 0.221 384 P C 1.285 178.556 177.300 -0.048 0.000 1.145 384 P CA 1.006 64.092 63.100 -0.024 0.000 0.795 384 P CB 0.152 31.845 31.700 -0.012 0.000 0.775 385 S N -2.134 113.534 115.700 -0.054 0.000 2.607 385 S HA 0.205 4.675 4.470 -0.001 0.000 0.224 385 S C 1.685 176.108 174.600 -0.296 0.000 0.969 385 S CA 0.492 58.626 58.200 -0.110 0.000 0.927 385 S CB -1.286 61.927 63.200 0.022 0.000 0.772 385 S HN 0.289 nan 8.310 nan 0.000 0.533 386 G N 1.378 110.063 108.800 -0.192 0.000 2.159 386 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.256 386 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.256 386 G C 0.105 174.903 174.900 -0.170 0.000 0.977 386 G CA 0.133 45.110 45.100 -0.204 0.000 0.652 386 G HN 0.694 nan 8.290 nan 0.000 0.531 387 R N 0.680 121.124 120.500 -0.093 0.000 2.442 387 R HA 0.517 4.857 4.340 -0.001 0.000 0.291 387 R C 0.828 177.172 176.300 0.073 0.000 1.069 387 R CA 0.132 56.263 56.100 0.052 0.000 1.022 387 R CB 0.051 30.374 30.300 0.038 0.000 0.976 387 R HN 0.675 nan 8.270 nan 0.000 0.443 388 I N 0.744 121.405 120.570 0.151 0.000 2.740 388 I HA 0.396 4.565 4.170 -0.001 0.000 0.303 388 I C -0.748 175.552 176.117 0.304 0.000 1.044 388 I CA -1.244 60.158 61.300 0.170 0.000 1.064 388 I CB 2.013 40.078 38.000 0.108 0.000 1.249 388 I HN 0.419 nan 8.210 nan 0.000 0.433 389 N N 4.143 122.991 118.700 0.246 0.000 2.415 389 N HA 0.200 4.939 4.740 -0.001 0.000 0.246 389 N C 0.499 176.021 175.510 0.020 0.000 1.078 389 N CA -0.289 52.844 53.050 0.138 0.000 0.942 389 N CB 1.343 39.888 38.487 0.097 0.000 1.140 389 N HN 0.620 nan 8.380 nan 0.000 0.501 390 V N 2.504 122.410 119.914 -0.014 0.000 2.594 390 V HA -0.188 3.931 4.120 -0.001 0.000 0.253 390 V C 1.976 178.044 176.094 -0.044 0.000 1.069 390 V CA 2.063 64.356 62.300 -0.012 0.000 1.082 390 V CB -0.791 31.034 31.823 0.002 0.000 0.680 390 V HN 0.853 nan 8.190 nan 0.000 0.469 391 S N 0.304 115.963 115.700 -0.068 0.000 2.607 391 S HA 0.051 4.520 4.470 -0.001 0.000 0.224 391 S C 1.699 176.182 174.600 -0.196 0.000 0.969 391 S CA 0.722 58.850 58.200 -0.120 0.000 0.927 391 S CB 0.036 63.225 63.200 -0.017 0.000 0.772 391 S HN 0.538 nan 8.310 nan 0.000 0.533 392 G N 0.823 109.550 108.800 -0.122 0.000 2.838 392 G HA2 0.332 4.291 3.960 -0.001 0.000 0.210 392 G HA3 0.332 4.291 3.960 -0.001 0.000 0.210 392 G C 0.319 175.161 174.900 -0.097 0.000 1.153 392 G CA -0.403 44.625 45.100 -0.120 0.000 0.778 392 G HN 0.481 nan 8.290 nan 0.000 0.539 393 L N 2.072 123.248 121.223 -0.079 0.000 2.349 393 L HA 0.465 4.805 4.340 -0.001 0.000 0.275 393 L C 0.780 177.599 176.870 -0.086 0.000 1.115 393 L CA -0.365 54.440 54.840 -0.058 0.000 0.820 393 L CB 1.416 43.452 42.059 -0.038 0.000 1.135 393 L HN 0.145 nan 8.230 nan 0.000 0.445 394 T N -3.175 111.336 114.554 -0.071 0.000 2.864 394 T HA 0.249 4.599 4.350 -0.001 0.000 0.289 394 T C 0.887 175.555 174.700 -0.054 0.000 1.082 394 T CA -0.035 62.016 62.100 -0.082 0.000 1.009 394 T CB 1.550 70.357 68.868 -0.101 0.000 1.234 394 T HN 0.637 nan 8.240 nan 0.000 0.526 395 T N -1.592 112.929 114.554 -0.054 0.000 3.035 395 T HA 0.065 4.415 4.350 -0.001 0.000 0.268 395 T C 1.326 176.007 174.700 -0.030 0.000 1.109 395 T CA 0.604 62.681 62.100 -0.038 0.000 1.119 395 T CB -0.438 68.407 68.868 -0.037 0.000 0.900 395 T HN 0.686 nan 8.240 nan 0.000 0.503 396 K N 1.459 121.836 120.400 -0.037 0.000 2.314 396 K HA 0.115 4.434 4.320 -0.001 0.000 0.198 396 K C 1.670 178.261 176.600 -0.015 0.000 1.045 396 K CA 0.893 57.162 56.287 -0.031 0.000 0.988 396 K CB 0.065 32.537 32.500 -0.046 0.000 0.783 396 K HN 0.538 nan 8.250 nan 0.000 0.484 397 N N -0.266 118.431 118.700 -0.005 0.000 2.197 397 N HA -0.026 4.714 4.740 -0.001 0.000 0.201 397 N C 1.275 176.826 175.510 0.068 0.000 1.148 397 N CA -0.030 53.045 53.050 0.041 0.000 0.883 397 N CB 0.000 38.514 38.487 0.044 0.000 1.012 397 N HN -0.106 nan 8.380 nan 0.000 0.507 398 L N 1.309 122.546 121.223 0.023 0.000 2.079 398 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 398 L C 1.049 177.925 176.870 0.010 0.000 1.081 398 L CA 1.713 56.556 54.840 0.006 0.000 0.752 398 L CB -1.001 41.048 42.059 -0.017 0.000 0.896 398 L HN 0.115 nan 8.230 nan 0.000 0.433 399 D N -2.207 118.210 120.400 0.028 0.000 2.097 399 D HA -0.232 4.408 4.640 -0.001 0.000 0.197 399 D C 2.063 178.393 176.300 0.050 0.000 0.984 399 D CA 1.123 55.136 54.000 0.021 0.000 0.826 399 D CB -0.226 40.590 40.800 0.026 0.000 0.973 399 D HN 0.359 nan 8.370 nan 0.000 0.460 400 Y N 1.147 121.433 120.300 -0.023 0.000 2.224 400 Y HA -0.204 4.357 4.550 0.019 0.000 0.289 400 Y C 2.098 177.995 175.900 -0.005 0.000 1.146 400 Y CA 1.110 59.204 58.100 -0.010 0.000 1.182 400 Y CB -0.276 38.183 38.460 -0.002 0.000 0.983 400 Y HN -0.191 nan 8.280 nan 0.000 0.524 401 V N 0.245 120.176 119.914 0.028 0.000 2.270 401 V HA -0.315 3.805 4.120 -0.001 0.000 0.245 401 V C 2.687 178.713 176.094 -0.113 0.000 1.043 401 V CA 1.801 64.069 62.300 -0.053 0.000 1.014 401 V CB -1.572 30.263 31.823 0.020 0.000 0.645 401 V HN 0.549 nan 8.190 nan 0.000 0.447 402 A N 0.795 123.557 122.820 -0.096 0.000 1.892 402 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 402 A C 2.499 180.011 177.584 -0.120 0.000 1.188 402 A CA 2.966 54.925 52.037 -0.130 0.000 0.631 402 A CB -1.118 17.810 19.000 -0.120 0.000 0.822 402 A HN 0.656 nan 8.150 nan 0.000 0.447 403 T N -3.525 110.959 114.554 -0.116 0.000 2.904 403 T HA -0.038 4.311 4.350 -0.001 0.000 0.267 403 T C 1.958 176.620 174.700 -0.063 0.000 1.059 403 T CA 1.622 63.667 62.100 -0.091 0.000 1.137 403 T CB -0.421 68.385 68.868 -0.102 0.000 0.879 403 T HN 0.266 nan 8.240 nan 0.000 0.467 404 S N 1.504 117.099 115.700 -0.176 0.000 2.368 404 S HA 0.112 4.581 4.470 -0.001 0.000 0.224 404 S C 1.914 176.526 174.600 0.021 0.000 1.029 404 S CA 1.126 59.248 58.200 -0.131 0.000 0.988 404 S CB -0.453 62.547 63.200 -0.335 0.000 0.838 404 S HN 0.508 nan 8.310 nan 0.000 0.462 405 I N 0.927 121.474 120.570 -0.039 0.000 2.315 405 I HA -0.196 3.974 4.170 -0.001 0.000 0.248 405 I C 2.549 178.646 176.117 -0.034 0.000 1.117 405 I CA 1.231 62.508 61.300 -0.038 0.000 1.404 405 I CB -0.425 37.496 38.000 -0.131 0.000 1.071 405 I HN 0.418 nan 8.210 nan 0.000 0.419 406 H N 1.691 120.689 119.070 -0.120 0.000 2.321 406 H HA -0.173 4.382 4.556 -0.001 0.000 0.300 406 H C 1.939 177.229 175.328 -0.064 0.000 1.087 406 H CA 1.975 57.965 56.048 -0.096 0.000 1.319 406 H CB 0.150 29.852 29.762 -0.100 0.000 1.379 406 H HN 0.409 nan 8.280 nan 0.000 0.501 407 E N 0.258 120.498 120.200 0.067 0.000 2.077 407 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 407 E C 2.442 178.881 176.600 -0.268 0.000 0.989 407 E CA 0.957 57.343 56.400 -0.023 0.000 0.800 407 E CB -0.069 29.723 29.700 0.152 0.000 0.746 407 E HN 0.529 nan 8.360 nan 0.000 0.452 408 A N 0.802 123.509 122.820 -0.189 0.000 1.898 408 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 408 A C 2.493 179.951 177.584 -0.209 0.000 1.181 408 A CA 1.108 52.971 52.037 -0.290 0.000 0.620 408 A CB -0.603 18.404 19.000 0.010 0.000 0.819 408 A HN 0.123 nan 8.150 nan 0.000 0.442 409 V N 0.669 120.508 119.914 -0.125 0.000 2.407 409 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 409 V C 2.873 178.875 176.094 -0.154 0.000 1.055 409 V CA 2.395 64.647 62.300 -0.081 0.000 1.049 409 V CB -1.207 30.637 31.823 0.035 0.000 0.662 409 V HN 0.851 nan 8.190 nan 0.000 0.455 410 T N -2.495 111.909 114.554 -0.250 0.000 3.009 410 T HA -0.021 4.328 4.350 -0.001 0.000 0.258 410 T C 1.745 176.332 174.700 -0.188 0.000 1.063 410 T CA 0.544 62.505 62.100 -0.233 0.000 1.139 410 T CB -0.124 68.547 68.868 -0.328 0.000 0.890 410 T HN 0.394 nan 8.240 nan 0.000 0.471 411 K N 0.890 121.146 120.400 -0.241 0.000 2.305 411 K HA 0.294 4.613 4.320 -0.001 0.000 0.199 411 K C 0.538 177.014 176.600 -0.207 0.000 1.047 411 K CA 0.573 56.720 56.287 -0.233 0.000 0.976 411 K CB 0.134 32.430 32.500 -0.340 0.000 0.765 411 K HN 0.446 nan 8.250 nan 0.000 0.474 412 I N 0.603 121.046 120.570 -0.212 0.000 2.859 412 I HA 0.206 4.375 4.170 -0.001 0.000 0.296 412 I C 0.537 176.584 176.117 -0.117 0.000 1.300 412 I CA -0.296 60.913 61.300 -0.151 0.000 1.020 412 I CB 1.175 39.083 38.000 -0.153 0.000 1.823 412 I HN -0.060 nan 8.210 nan 0.000 0.599 413 A N 1.917 124.675 122.820 -0.104 0.000 2.209 413 A HA 0.160 4.479 4.320 -0.001 0.000 0.212 413 A C 1.207 178.741 177.584 -0.084 0.000 1.158 413 A CA 1.145 53.129 52.037 -0.089 0.000 0.742 413 A CB -0.344 18.609 19.000 -0.079 0.000 0.790 413 A HN 0.627 nan 8.150 nan 0.000 0.472 414 E N -1.251 118.896 120.200 -0.088 0.000 2.250 414 E HA 0.544 4.893 4.350 -0.001 0.000 0.265 414 E C -0.394 176.134 176.600 -0.120 0.000 1.033 414 E CA -0.155 56.184 56.400 -0.102 0.000 0.888 414 E CB 0.134 29.778 29.700 -0.094 0.000 1.151 414 E HN 0.918 nan 8.360 nan 0.000 0.412 415 N N -1.122 117.481 118.700 -0.163 0.000 2.408 415 N HA 0.697 5.437 4.740 -0.001 0.000 0.280 415 N C -0.068 175.268 175.510 -0.289 0.000 1.002 415 N CA 0.010 52.942 53.050 -0.197 0.000 0.907 415 N CB 1.125 39.489 38.487 -0.206 0.000 1.161 415 N HN 1.403 nan 8.380 nan 0.000 0.488 416 L N 0.201 121.284 121.223 -0.234 0.000 2.399 416 L HA 0.786 5.125 4.340 -0.001 0.000 0.265 416 L C 0.817 177.493 176.870 -0.324 0.000 1.089 416 L CA -0.625 54.071 54.840 -0.241 0.000 0.802 416 L CB -0.422 41.590 42.059 -0.080 0.000 1.180 416 L HN 0.900 nan 8.230 nan 0.000 0.454 417 Y N 0.448 120.612 120.300 -0.226 0.000 2.343 417 Y HA 0.315 4.865 4.550 -0.000 0.000 0.294 417 Y C 0.603 176.314 175.900 -0.314 0.000 1.122 417 Y CA 0.517 58.399 58.100 -0.364 0.000 1.173 417 Y CB 0.054 38.125 38.460 -0.649 0.000 1.077 417 Y HN 0.512 nan 8.280 nan 0.000 0.542 418 F N 1.737 121.781 119.950 0.157 0.000 2.405 418 F HA 0.354 4.881 4.527 -0.001 0.000 0.355 418 F C 0.332 176.160 175.800 0.047 0.000 1.121 418 F CA -1.562 56.489 58.000 0.085 0.000 1.112 418 F CB 0.481 39.522 39.000 0.068 0.000 1.126 418 F HN -0.074 nan 8.300 nan 0.000 0.481 419 Q N 0.000 119.925 119.800 0.208 0.000 2.315 419 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 419 Q CA 0.000 55.871 55.803 0.114 0.000 1.022 419 Q CB 0.000 28.782 28.738 0.073 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481