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 2f00_1_B DATA FIRST_RESID 2 DATA SEQUENCE NTQQLAKLRS IVPEXRRVRH IHFVGIGGAG XGGIAEVLAN EGYQISGSDL DATA SEQUENCE APNPVTQQLX NLGATIYFNH RPENVRDASV VVVSSAISAD NPEIVAAHEA DATA SEQUENCE RIPVIRRAEX LAELXRFRHG IAIAGTHGKT TTTAXVSSIY AEAGLDPTFV DATA SEQUENCE NGGLVKAAGV HARLGHGRYL IAEADESDAS FLHLQPXVAI VTNIEADHXD DATA SEQUENCE TYQGDFENLK QTFINFLHNL PFYGRAVXCV DDPVIRELLP RVGRQTTTYG DATA SEQUENCE FSEDADVRVE DYQQIGPQGH FTLLRQDKEP XRVTLNAPGR HNALNAAAAV DATA SEQUENCE AVATEEGIDD EAILRALESF QGTGRRFDFL GEFPLEPVNG KSGTAXLVDD DATA SEQUENCE YGHHPTEVDA TIKAARAGWP DKNLVXLFQP HRFTRTRDLY DDFANVLTQV DATA SEQUENCE DTLLXLEVYP AGEAPIPGAD SRSLCRTIRG RGKIDPILVP DPARVAEXLA DATA SEQUENCE PVLTGNDLIL VQGAGNIGKI ARSLAEIKLK PQ 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.515 175.510 0.009 0.000 1.280 2 N CA 0.000 53.060 53.050 0.017 0.000 0.885 2 N CB 0.000 38.502 38.487 0.025 0.000 1.341 3 T N -0.220 114.334 114.554 0.001 0.000 2.665 3 T HA -0.274 4.077 4.350 0.002 0.000 0.268 3 T C 1.453 176.154 174.700 0.001 0.000 1.035 3 T CA 2.371 64.467 62.100 -0.007 0.000 1.151 3 T CB -0.428 68.435 68.868 -0.009 0.000 0.862 3 T HN 0.698 nan 8.240 nan 0.000 0.438 4 Q N 0.932 120.740 119.800 0.013 0.000 2.123 4 Q HA -0.083 4.258 4.340 0.002 0.000 0.199 4 Q C 2.215 178.237 176.000 0.037 0.000 0.966 4 Q CA 1.042 56.856 55.803 0.018 0.000 0.845 4 Q CB -0.399 28.349 28.738 0.017 0.000 0.907 4 Q HN 0.521 nan 8.270 nan 0.000 0.439 5 Q N 0.450 120.287 119.800 0.061 0.000 2.077 5 Q HA -0.177 4.164 4.340 0.002 0.000 0.206 5 Q C 2.166 178.207 176.000 0.068 0.000 0.989 5 Q CA 1.646 57.520 55.803 0.118 0.000 0.853 5 Q CB -0.157 28.690 28.738 0.181 0.000 0.907 5 Q HN 0.346 nan 8.270 nan 0.000 0.418 6 L N 0.462 121.697 121.223 0.019 0.000 2.046 6 L HA -0.113 4.228 4.340 0.002 0.000 0.208 6 L C 2.131 178.995 176.870 -0.010 0.000 1.077 6 L CA 2.022 56.855 54.840 -0.013 0.000 0.747 6 L CB -0.812 41.224 42.059 -0.037 0.000 0.896 6 L HN 0.136 nan 8.230 nan 0.000 0.432 7 A N -0.838 121.980 122.820 -0.003 0.000 1.933 7 A HA -0.232 4.089 4.320 0.002 0.000 0.218 7 A C 2.376 179.963 177.584 0.004 0.000 1.175 7 A CA 1.870 53.904 52.037 -0.006 0.000 0.628 7 A CB -0.485 18.512 19.000 -0.004 0.000 0.814 7 A HN 0.473 nan 8.150 nan 0.000 0.444 8 K N -1.015 119.400 120.400 0.024 0.000 1.985 8 K HA -0.141 4.180 4.320 0.002 0.000 0.210 8 K C 1.958 178.578 176.600 0.034 0.000 1.047 8 K CA 1.505 57.814 56.287 0.037 0.000 0.932 8 K CB -0.476 32.066 32.500 0.070 0.000 0.716 8 K HN 0.384 nan 8.250 nan 0.000 0.439 9 L N 1.685 122.932 121.223 0.040 0.000 2.089 9 L HA -0.215 4.126 4.340 0.002 0.000 0.213 9 L C 2.014 178.887 176.870 0.004 0.000 1.079 9 L CA 1.713 56.568 54.840 0.025 0.000 0.758 9 L CB -0.205 41.855 42.059 0.000 0.000 0.891 9 L HN 0.086 nan 8.230 nan 0.000 0.433 10 R N -0.602 119.892 120.500 -0.010 0.000 2.280 10 R HA 0.011 4.352 4.340 0.002 0.000 0.207 10 R C 2.386 178.660 176.300 -0.043 0.000 1.043 10 R CA 0.971 57.053 56.100 -0.031 0.000 1.006 10 R CB -0.736 29.541 30.300 -0.038 0.000 0.885 10 R HN 0.706 nan 8.270 nan 0.000 0.467 11 S N 0.609 116.294 115.700 -0.026 0.000 2.428 11 S HA -0.068 4.403 4.470 0.002 0.000 0.230 11 S C 1.980 176.556 174.600 -0.040 0.000 1.014 11 S CA 0.942 59.124 58.200 -0.029 0.000 0.957 11 S CB -0.243 62.950 63.200 -0.011 0.000 0.784 11 S HN 0.489 nan 8.310 nan 0.000 0.499 12 I N -1.617 118.936 120.570 -0.028 0.000 3.445 12 I HA 0.413 4.584 4.170 0.002 0.000 0.288 12 I C -0.303 175.787 176.117 -0.044 0.000 1.198 12 I CA -0.156 61.130 61.300 -0.023 0.000 1.417 12 I CB 0.346 38.356 38.000 0.015 0.000 1.205 12 I HN 0.023 nan 8.210 nan 0.000 0.448 13 V N 5.193 125.091 119.914 -0.027 0.000 2.304 13 V HA 0.450 4.571 4.120 0.002 0.000 0.278 13 V C -2.339 173.723 176.094 -0.054 0.000 1.018 13 V CA -1.468 60.830 62.300 -0.003 0.000 0.814 13 V CB 0.816 32.689 31.823 0.083 0.000 1.021 13 V HN 0.157 nan 8.190 nan 0.000 0.440 14 P HA 0.237 nan 4.420 nan 0.000 0.274 14 P C -0.112 177.195 177.300 0.012 0.000 1.237 14 P CA -0.374 62.649 63.100 -0.129 0.000 0.793 14 P CB 1.069 32.610 31.700 -0.265 0.000 0.977 18 R N 0.120 120.666 120.500 0.076 0.000 3.963 18 R HA -0.165 4.176 4.340 0.002 0.000 0.394 18 R C -0.001 176.351 176.300 0.086 0.000 1.131 18 R CA 1.330 57.470 56.100 0.068 0.000 1.059 18 R CB -1.711 28.616 30.300 0.046 0.000 1.614 18 R HN 0.332 nan 8.270 nan 0.000 0.546 19 V N -0.847 119.145 119.914 0.130 0.000 2.334 19 V HA 0.326 4.447 4.120 0.002 0.000 0.267 19 V C 1.095 177.344 176.094 0.259 0.000 1.040 19 V CA -0.302 62.086 62.300 0.147 0.000 0.866 19 V CB 1.385 33.251 31.823 0.072 0.000 1.019 19 V HN 0.170 nan 8.190 nan 0.000 0.468 20 R N 2.924 123.546 120.500 0.203 0.000 2.105 20 R HA 0.294 4.635 4.340 0.002 0.000 0.214 20 R C 0.660 177.129 176.300 0.282 0.000 1.091 20 R CA 0.678 56.906 56.100 0.213 0.000 1.007 20 R CB 0.182 30.567 30.300 0.141 0.000 0.912 20 R HN 0.908 nan 8.270 nan 0.000 0.450 21 H N 0.130 119.271 119.070 0.118 0.000 2.744 21 H HA 0.426 4.983 4.556 0.002 0.000 0.339 21 H C -1.206 174.155 175.328 0.056 0.000 1.004 21 H CA -0.762 55.346 56.048 0.100 0.000 1.257 21 H CB 1.016 30.822 29.762 0.073 0.000 1.552 21 H HN -0.069 nan 8.280 nan 0.000 0.522 22 I N 4.743 125.527 120.570 0.357 0.000 2.362 22 I HA 0.130 4.302 4.170 0.002 0.000 0.289 22 I C -0.584 175.613 176.117 0.133 0.000 0.994 22 I CA -0.595 60.742 61.300 0.062 0.000 1.158 22 I CB 1.344 39.290 38.000 -0.089 0.000 1.315 22 I HN 0.621 nan 8.210 nan 0.000 0.451 23 H N 6.299 125.259 119.070 -0.184 0.000 2.459 23 H HA 0.522 5.079 4.556 0.002 0.000 0.332 23 H C -1.572 173.628 175.328 -0.214 0.000 1.094 23 H CA -0.488 55.519 56.048 -0.068 0.000 1.224 23 H CB 0.936 30.632 29.762 -0.110 0.000 1.449 23 H HN 0.299 nan 8.280 nan 0.000 0.484 24 F N 4.870 124.485 119.950 -0.558 0.000 2.375 24 F HA 0.265 4.793 4.527 0.002 0.000 0.361 24 F C -0.415 175.133 175.800 -0.420 0.000 1.117 24 F CA -0.913 56.870 58.000 -0.362 0.000 1.037 24 F CB 1.288 40.166 39.000 -0.203 0.000 1.192 24 F HN 0.276 nan 8.300 nan 0.000 0.452 25 V N 3.400 123.243 119.914 -0.117 0.000 2.370 25 V HA 0.474 4.595 4.120 0.002 0.000 0.257 25 V C 0.745 176.871 176.094 0.054 0.000 1.064 25 V CA 0.017 62.313 62.300 -0.007 0.000 0.975 25 V CB 0.163 31.974 31.823 -0.021 0.000 1.067 25 V HN 1.041 nan 8.190 nan 0.000 0.485 26 G N 4.284 113.163 108.800 0.131 0.000 2.226 26 G HA2 -0.196 3.765 3.960 0.002 0.000 0.176 26 G HA3 -0.196 3.765 3.960 0.002 0.000 0.176 26 G C 0.505 175.451 174.900 0.075 0.000 1.042 26 G CA 0.061 45.236 45.100 0.125 0.000 0.732 26 G HN 0.710 nan 8.290 nan 0.000 0.494 27 I N 0.188 120.789 120.570 0.051 0.000 2.800 27 I HA 0.017 4.188 4.170 0.002 0.000 0.266 27 I C 2.296 178.367 176.117 -0.077 0.000 1.249 27 I CA 2.010 63.285 61.300 -0.043 0.000 1.458 27 I CB -0.002 37.945 38.000 -0.089 0.000 1.093 27 I HN 0.322 nan 8.210 nan 0.000 0.466 28 G N -0.257 108.538 108.800 -0.008 0.000 2.453 28 G HA2 0.095 4.057 3.960 0.002 0.000 0.215 28 G HA3 0.095 4.057 3.960 0.002 0.000 0.215 28 G C 0.938 175.810 174.900 -0.047 0.000 1.147 28 G CA 0.568 45.664 45.100 -0.006 0.000 0.802 28 G HN 0.519 nan 8.290 nan 0.000 0.535 29 G N -0.623 108.157 108.800 -0.032 0.000 3.310 29 G HA2 0.570 4.531 3.960 0.002 0.000 0.176 29 G HA3 0.570 4.531 3.960 0.002 0.000 0.176 29 G C 1.068 175.919 174.900 -0.082 0.000 1.307 29 G CA 0.465 45.539 45.100 -0.043 0.000 0.935 29 G HN 1.018 nan 8.290 nan 0.000 0.628 30 A N -1.162 121.641 122.820 -0.029 0.000 5.499 30 A HA 0.146 4.467 4.320 0.002 0.000 0.547 30 A C 1.305 178.853 177.584 -0.059 0.000 1.592 30 A CA 2.210 54.233 52.037 -0.023 0.000 1.643 30 A CB -1.471 17.529 19.000 -0.001 0.000 1.539 30 A HN 2.133 nan 8.150 nan 0.000 0.645 34 G N 1.547 110.236 108.800 -0.185 0.000 2.476 34 G HA2 -0.143 3.818 3.960 0.002 0.000 0.218 34 G HA3 -0.143 3.818 3.960 0.002 0.000 0.218 34 G C 1.755 176.588 174.900 -0.112 0.000 1.164 34 G CA 1.372 46.417 45.100 -0.092 0.000 0.768 34 G HN 0.463 nan 8.290 nan 0.000 0.560 35 I N 1.319 121.819 120.570 -0.117 0.000 2.252 35 I HA -0.147 4.024 4.170 0.002 0.000 0.245 35 I C 3.299 179.337 176.117 -0.131 0.000 1.102 35 I CA 0.891 62.159 61.300 -0.053 0.000 1.385 35 I CB -0.254 37.800 38.000 0.090 0.000 1.064 35 I HN 0.249 nan 8.210 nan 0.000 0.414 36 A N 0.588 123.108 122.820 -0.500 0.000 1.908 36 A HA -0.286 4.035 4.320 0.002 0.000 0.218 36 A C 2.285 179.740 177.584 -0.215 0.000 1.181 36 A CA 2.144 53.813 52.037 -0.613 0.000 0.627 36 A CB -0.653 17.708 19.000 -1.065 0.000 0.818 36 A HN 0.528 nan 8.150 nan 0.000 0.445 37 E N -0.280 119.809 120.200 -0.186 0.000 2.051 37 E HA -0.129 4.222 4.350 0.002 0.000 0.192 37 E C 1.819 178.383 176.600 -0.060 0.000 0.991 37 E CA 1.504 57.842 56.400 -0.103 0.000 0.799 37 E CB -0.208 29.434 29.700 -0.096 0.000 0.748 37 E HN 0.263 nan 8.360 nan 0.000 0.449 38 V N 0.819 120.697 119.914 -0.061 0.000 2.255 38 V HA -0.252 3.869 4.120 0.002 0.000 0.247 38 V C 2.370 178.488 176.094 0.041 0.000 1.051 38 V CA 1.388 63.670 62.300 -0.031 0.000 1.018 38 V CB -0.479 31.324 31.823 -0.033 0.000 0.641 38 V HN 0.341 nan 8.190 nan 0.000 0.445 39 L N 0.228 121.496 121.223 0.075 0.000 2.131 39 L HA -0.072 4.269 4.340 0.002 0.000 0.210 39 L C 2.552 179.561 176.870 0.232 0.000 1.092 39 L CA 2.082 57.033 54.840 0.184 0.000 0.759 39 L CB -1.563 40.578 42.059 0.137 0.000 0.903 39 L HN 0.316 nan 8.230 nan 0.000 0.435 40 A N -0.367 122.520 122.820 0.112 0.000 1.877 40 A HA -0.195 4.126 4.320 0.002 0.000 0.216 40 A C 2.066 179.683 177.584 0.055 0.000 1.186 40 A CA 1.721 53.806 52.037 0.080 0.000 0.620 40 A CB -0.552 18.459 19.000 0.018 0.000 0.822 40 A HN 0.477 nan 8.150 nan 0.000 0.443 41 N N 0.089 118.806 118.700 0.028 0.000 2.453 41 N HA -0.092 4.649 4.740 0.002 0.000 0.183 41 N C 1.242 176.754 175.510 0.004 0.000 1.041 41 N CA 0.937 53.988 53.050 0.002 0.000 0.900 41 N CB -0.276 38.195 38.487 -0.026 0.000 0.961 41 N HN 0.646 nan 8.380 nan 0.000 0.443 42 E N -0.214 120.020 120.200 0.056 0.000 2.482 42 E HA 0.054 4.405 4.350 0.002 0.000 0.196 42 E C 0.660 177.214 176.600 -0.076 0.000 1.047 42 E CA 0.175 56.599 56.400 0.040 0.000 0.869 42 E CB 0.070 29.887 29.700 0.195 0.000 0.836 42 E HN 0.386 nan 8.360 nan 0.000 0.520 43 G N 0.813 109.599 108.800 -0.024 0.000 2.141 43 G HA2 -0.281 3.680 3.960 0.002 0.000 0.242 43 G HA3 -0.281 3.680 3.960 0.002 0.000 0.242 43 G C -0.153 174.676 174.900 -0.117 0.000 0.982 43 G CA -0.090 44.960 45.100 -0.083 0.000 0.662 43 G HN 0.204 nan 8.290 nan 0.000 0.527 44 Y N 0.337 120.652 120.300 0.025 0.000 2.357 44 Y HA 0.436 4.987 4.550 0.001 0.000 0.340 44 Y C 1.198 177.117 175.900 0.031 0.000 1.260 44 Y CA 0.076 58.201 58.100 0.040 0.000 1.425 44 Y CB 0.531 39.034 38.460 0.072 0.000 1.326 44 Y HN 0.217 nan 8.280 nan 0.000 0.580 45 Q N 2.259 122.174 119.800 0.192 0.000 2.286 45 Q HA 0.292 4.633 4.340 0.002 0.000 0.257 45 Q C -1.325 174.748 176.000 0.121 0.000 0.941 45 Q CA -0.331 55.505 55.803 0.054 0.000 0.912 45 Q CB 0.513 29.195 28.738 -0.093 0.000 1.192 45 Q HN 0.429 nan 8.270 nan 0.000 0.410 46 I N 2.878 123.502 120.570 0.090 0.000 2.465 46 I HA 0.327 4.498 4.170 0.002 0.000 0.291 46 I C -0.148 176.079 176.117 0.182 0.000 1.014 46 I CA -0.302 61.122 61.300 0.205 0.000 1.093 46 I CB 1.413 39.505 38.000 0.153 0.000 1.267 46 I HN 0.626 nan 8.210 nan 0.000 0.431 47 S N 3.655 119.578 115.700 0.373 0.000 2.627 47 S HA 1.012 5.483 4.470 0.002 0.000 0.283 47 S C -0.474 174.328 174.600 0.337 0.000 1.127 47 S CA -0.712 57.718 58.200 0.384 0.000 0.863 47 S CB 2.843 66.440 63.200 0.662 0.000 1.121 47 S HN 0.993 nan 8.310 nan 0.000 0.479 48 G N 0.111 109.024 108.800 0.188 0.000 2.623 48 G HA2 0.662 4.623 3.960 0.002 0.000 0.290 48 G HA3 0.662 4.623 3.960 0.002 0.000 0.290 48 G C -1.234 173.722 174.900 0.093 0.000 1.437 48 G CA -0.271 44.798 45.100 -0.051 0.000 0.798 48 G HN 1.604 nan 8.290 nan 0.000 0.488 49 S N -0.352 115.384 115.700 0.059 0.000 2.549 49 S HA 0.871 5.342 4.470 0.002 0.000 0.280 49 S C -1.514 173.144 174.600 0.095 0.000 1.109 49 S CA -0.731 57.538 58.200 0.116 0.000 0.905 49 S CB 3.081 66.449 63.200 0.280 0.000 1.081 49 S HN 0.784 nan 8.310 nan 0.000 0.477 50 D N 0.083 120.495 120.400 0.019 0.000 2.671 50 D HA 0.285 4.926 4.640 0.002 0.000 0.273 50 D C 0.261 176.639 176.300 0.131 0.000 1.264 50 D CA -0.520 53.551 54.000 0.118 0.000 0.788 50 D CB 1.788 42.687 40.800 0.165 0.000 1.324 50 D HN 0.527 nan 8.370 nan 0.000 0.424 51 L N 0.320 121.626 121.223 0.139 0.000 2.209 51 L HA 0.259 4.600 4.340 0.002 0.000 0.207 51 L C 0.978 177.919 176.870 0.119 0.000 1.094 51 L CA 0.701 55.606 54.840 0.109 0.000 0.790 51 L CB 0.044 42.164 42.059 0.102 0.000 0.932 51 L HN 0.298 nan 8.230 nan 0.000 0.447 52 A N -0.603 122.284 122.820 0.112 0.000 2.414 52 A HA 0.676 4.997 4.320 0.002 0.000 0.306 52 A C -2.532 175.039 177.584 -0.021 0.000 1.054 52 A CA -1.346 50.681 52.037 -0.017 0.000 0.724 52 A CB 0.796 19.785 19.000 -0.018 0.000 1.267 52 A HN -0.167 nan 8.150 nan 0.000 0.418 53 P HA 0.300 nan 4.420 nan 0.000 0.268 53 P C -0.703 176.578 177.300 -0.033 0.000 1.208 53 P CA 0.155 63.150 63.100 -0.175 0.000 0.777 53 P CB 0.517 31.955 31.700 -0.437 0.000 0.875 54 N N 0.405 119.127 118.700 0.035 0.000 3.106 54 N HA 0.316 5.057 4.740 0.002 0.000 0.253 54 N C -2.795 172.739 175.510 0.040 0.000 1.506 54 N CA -1.932 51.135 53.050 0.029 0.000 0.876 54 N CB -0.442 38.068 38.487 0.039 0.000 1.452 54 N HN -0.038 nan 8.380 nan 0.000 0.542 55 P HA -0.081 nan 4.420 nan 0.000 0.216 55 P C 1.321 178.652 177.300 0.052 0.000 1.150 55 P CA 0.932 64.061 63.100 0.047 0.000 0.837 55 P CB 0.265 32.001 31.700 0.060 0.000 0.786 56 V N 0.144 120.087 119.914 0.049 0.000 2.287 56 V HA -0.275 3.846 4.120 0.002 0.000 0.248 56 V C 2.582 178.675 176.094 -0.003 0.000 1.053 56 V CA 2.765 65.070 62.300 0.008 0.000 1.027 56 V CB -2.025 29.752 31.823 -0.077 0.000 0.646 56 V HN 0.311 nan 8.190 nan 0.000 0.447 57 T N -3.040 111.532 114.554 0.030 0.000 2.867 57 T HA -0.234 4.117 4.350 0.002 0.000 0.268 57 T C 1.869 176.604 174.700 0.057 0.000 1.057 57 T CA 1.110 63.242 62.100 0.054 0.000 1.136 57 T CB -0.288 68.687 68.868 0.178 0.000 0.874 57 T HN 0.307 nan 8.240 nan 0.000 0.466 58 Q N 1.087 120.923 119.800 0.060 0.000 2.030 58 Q HA -0.155 4.186 4.340 0.002 0.000 0.204 58 Q C 2.484 178.497 176.000 0.021 0.000 0.986 58 Q CA 2.212 58.041 55.803 0.044 0.000 0.843 58 Q CB -0.635 28.124 28.738 0.035 0.000 0.904 58 Q HN 0.716 nan 8.270 nan 0.000 0.420 59 Q N 0.136 119.946 119.800 0.016 0.000 2.096 59 Q HA -0.086 4.255 4.340 0.002 0.000 0.204 59 Q C 0.752 176.744 176.000 -0.012 0.000 0.982 59 Q CA 0.936 56.743 55.803 0.006 0.000 0.850 59 Q CB -0.198 28.548 28.738 0.014 0.000 0.901 59 Q HN 0.264 nan 8.270 nan 0.000 0.422 63 L N 0.854 122.068 121.223 -0.015 0.000 2.591 63 L HA 0.331 4.672 4.340 0.002 0.000 0.228 63 L C 0.940 177.800 176.870 -0.017 0.000 1.133 63 L CA 0.786 55.617 54.840 -0.016 0.000 0.880 63 L CB 0.175 42.222 42.059 -0.021 0.000 1.033 63 L HN 0.417 nan 8.230 nan 0.000 0.450 64 G N 0.147 108.934 108.800 -0.022 0.000 2.141 64 G HA2 -0.141 3.820 3.960 0.002 0.000 0.195 64 G HA3 -0.141 3.820 3.960 0.002 0.000 0.195 64 G C 0.102 174.980 174.900 -0.036 0.000 1.012 64 G CA -0.129 44.955 45.100 -0.027 0.000 0.696 64 G HN 0.418 nan 8.290 nan 0.000 0.508 65 A N -0.029 122.765 122.820 -0.043 0.000 2.306 65 A HA 0.835 5.156 4.320 0.002 0.000 0.314 65 A C 0.499 178.026 177.584 -0.096 0.000 1.164 65 A CA 0.265 52.272 52.037 -0.050 0.000 0.822 65 A CB 0.899 19.872 19.000 -0.045 0.000 1.130 65 A HN 0.719 nan 8.150 nan 0.000 0.496 66 T N 2.829 117.314 114.554 -0.115 0.000 2.723 66 T HA 0.458 4.809 4.350 0.002 0.000 0.297 66 T C -0.212 174.255 174.700 -0.387 0.000 0.925 66 T CA 0.529 62.478 62.100 -0.252 0.000 1.030 66 T CB -0.420 68.305 68.868 -0.239 0.000 0.905 66 T HN 0.397 nan 8.240 nan 0.000 0.502 67 I N 3.967 124.239 120.570 -0.497 0.000 2.389 67 I HA 0.361 4.532 4.170 0.002 0.000 0.288 67 I C -0.882 174.721 176.117 -0.856 0.000 0.999 67 I CA -1.031 59.922 61.300 -0.578 0.000 1.129 67 I CB 1.219 38.939 38.000 -0.468 0.000 1.288 67 I HN 0.559 nan 8.210 nan 0.000 0.444 68 Y N 5.424 125.479 120.300 -0.409 0.000 2.342 68 Y HA 0.382 4.933 4.550 0.002 0.000 0.334 68 Y C -0.158 175.428 175.900 -0.524 0.000 1.067 68 Y CA -0.669 57.210 58.100 -0.370 0.000 1.128 68 Y CB 0.758 39.150 38.460 -0.114 0.000 1.200 68 Y HN 0.348 nan 8.280 nan 0.000 0.464 69 F N 3.731 123.745 119.950 0.107 0.000 2.611 69 F HA 0.312 4.840 4.527 0.002 0.000 0.321 69 F C -0.475 175.294 175.800 -0.051 0.000 1.208 69 F CA -0.786 57.218 58.000 0.006 0.000 1.249 69 F CB -0.701 38.301 39.000 0.003 0.000 1.514 69 F HN 0.592 nan 8.300 nan 0.000 0.561 70 N N -1.809 116.861 118.700 -0.049 0.000 3.951 70 N HA 0.174 4.915 4.740 0.002 0.000 0.222 70 N C -1.744 173.577 175.510 -0.316 0.000 1.352 70 N CA -0.955 52.009 53.050 -0.144 0.000 0.852 70 N CB 0.805 39.290 38.487 -0.003 0.000 1.444 70 N HN 0.000 nan 8.380 nan 0.000 0.473 71 H N 0.012 119.117 119.070 0.058 0.000 2.736 71 H HA 0.495 5.052 4.556 0.002 0.000 0.271 71 H C -0.504 174.822 175.328 -0.003 0.000 1.184 71 H CA -0.429 55.640 56.048 0.034 0.000 1.378 71 H CB 0.593 30.381 29.762 0.042 0.000 1.428 71 H HN 0.615 nan 8.280 nan 0.000 0.500 72 R N 1.174 121.702 120.500 0.046 0.000 2.807 72 R HA 0.426 4.767 4.340 0.002 0.000 0.276 72 R C -2.503 173.756 176.300 -0.068 0.000 0.979 72 R CA -2.079 54.011 56.100 -0.016 0.000 0.928 72 R CB 1.251 31.523 30.300 -0.046 0.000 1.191 72 R HN -0.036 nan 8.270 nan 0.000 0.471 73 P HA -0.203 nan 4.420 nan 0.000 0.218 73 P C 0.206 177.424 177.300 -0.137 0.000 1.146 73 P CA 1.329 64.380 63.100 -0.083 0.000 0.820 73 P CB 0.233 31.898 31.700 -0.058 0.000 0.778 74 E N -0.978 119.124 120.200 -0.164 0.000 2.152 74 E HA -0.128 4.224 4.350 0.002 0.000 0.192 74 E C 1.620 178.007 176.600 -0.355 0.000 0.983 74 E CA 0.728 57.001 56.400 -0.212 0.000 0.818 74 E CB -0.906 28.682 29.700 -0.186 0.000 0.758 74 E HN 0.252 nan 8.360 nan 0.000 0.467 75 N N -0.045 118.368 118.700 -0.478 0.000 2.417 75 N HA -0.116 4.625 4.740 0.002 0.000 0.187 75 N C 1.080 176.157 175.510 -0.721 0.000 1.027 75 N CA 0.642 53.241 53.050 -0.751 0.000 0.891 75 N CB 0.022 38.232 38.487 -0.463 0.000 0.956 75 N HN 0.066 nan 8.380 nan 0.000 0.442 76 V N 0.034 119.640 119.914 -0.514 0.000 3.660 76 V HA 0.087 4.208 4.120 0.002 0.000 0.276 76 V C 1.086 176.977 176.094 -0.338 0.000 1.317 76 V CA -0.202 61.798 62.300 -0.501 0.000 1.097 76 V CB -0.065 31.590 31.823 -0.280 0.000 0.863 76 V HN 0.182 nan 8.190 nan 0.000 0.438 77 R N 1.279 121.633 120.500 -0.244 0.000 2.585 77 R HA -0.039 4.302 4.340 0.002 0.000 0.275 77 R C 0.495 176.736 176.300 -0.098 0.000 1.018 77 R CA 0.681 56.700 56.100 -0.136 0.000 1.072 77 R CB 0.014 30.263 30.300 -0.086 0.000 0.953 77 R HN 0.374 nan 8.270 nan 0.000 0.419 78 D N -0.225 120.134 120.400 -0.069 0.000 3.079 78 D HA -0.192 4.449 4.640 0.002 0.000 0.214 78 D C -0.613 175.633 176.300 -0.089 0.000 1.145 78 D CA 1.511 55.509 54.000 -0.004 0.000 0.958 78 D CB -1.002 39.867 40.800 0.116 0.000 1.117 78 D HN 0.670 nan 8.370 nan 0.000 0.416 79 A N 0.174 122.797 122.820 -0.330 0.000 2.409 79 A HA 0.484 4.805 4.320 0.002 0.000 0.262 79 A C 1.475 178.943 177.584 -0.194 0.000 1.113 79 A CA 0.323 52.060 52.037 -0.500 0.000 0.790 79 A CB 0.754 19.461 19.000 -0.488 0.000 1.046 79 A HN 0.055 nan 8.150 nan 0.000 0.496 80 S N 0.733 116.372 115.700 -0.102 0.000 2.406 80 S HA 0.104 4.575 4.470 0.002 0.000 0.228 80 S C 0.694 175.247 174.600 -0.078 0.000 1.020 80 S CA 1.181 59.356 58.200 -0.041 0.000 0.965 80 S CB -0.137 63.077 63.200 0.023 0.000 0.798 80 S HN 1.140 nan 8.310 nan 0.000 0.488 81 V N 0.844 120.686 119.914 -0.121 0.000 3.077 81 V HA 0.538 4.659 4.120 0.002 0.000 0.299 81 V C -1.886 174.095 176.094 -0.189 0.000 1.276 81 V CA -0.747 61.465 62.300 -0.146 0.000 0.993 81 V CB 2.282 34.014 31.823 -0.151 0.000 1.076 81 V HN -0.032 nan 8.190 nan 0.000 0.434 82 V N 6.086 125.890 119.914 -0.184 0.000 2.417 82 V HA 0.608 4.729 4.120 0.002 0.000 0.291 82 V C -0.370 175.577 176.094 -0.244 0.000 1.024 82 V CA -0.453 61.737 62.300 -0.183 0.000 0.861 82 V CB 1.840 33.589 31.823 -0.123 0.000 0.985 82 V HN 0.711 nan 8.190 nan 0.000 0.436 83 V N 5.758 125.462 119.914 -0.351 0.000 2.459 83 V HA 0.618 4.739 4.120 0.002 0.000 0.295 83 V C -0.202 175.786 176.094 -0.177 0.000 1.029 83 V CA -0.672 61.436 62.300 -0.321 0.000 0.874 83 V CB 1.878 33.377 31.823 -0.539 0.000 0.985 83 V HN 0.735 nan 8.190 nan 0.000 0.438 84 V N 2.099 121.952 119.914 -0.102 0.000 2.604 84 V HA 0.854 4.975 4.120 0.002 0.000 0.305 84 V C 0.180 176.264 176.094 -0.017 0.000 1.043 84 V CA -0.363 61.905 62.300 -0.052 0.000 0.888 84 V CB 1.747 33.533 31.823 -0.062 0.000 0.995 84 V HN 0.966 nan 8.190 nan 0.000 0.429 85 S N 3.224 118.929 115.700 0.008 0.000 2.614 85 S HA 0.258 4.729 4.470 0.002 0.000 0.265 85 S C 1.394 175.997 174.600 0.005 0.000 1.303 85 S CA 0.183 58.393 58.200 0.017 0.000 1.000 85 S CB 1.237 64.457 63.200 0.033 0.000 0.935 85 S HN 2.013 nan 8.310 nan 0.000 0.551 86 S N 0.829 116.534 115.700 0.008 0.000 2.500 86 S HA -0.004 4.467 4.470 0.002 0.000 0.239 86 S C 1.523 176.135 174.600 0.019 0.000 0.989 86 S CA 0.434 58.638 58.200 0.006 0.000 0.951 86 S CB -0.840 62.359 63.200 -0.002 0.000 0.759 86 S HN 1.131 nan 8.310 nan 0.000 0.523 87 A N 0.706 123.543 122.820 0.029 0.000 2.251 87 A HA 0.421 4.742 4.320 0.002 0.000 0.209 87 A C 0.512 178.107 177.584 0.018 0.000 1.187 87 A CA -0.097 51.966 52.037 0.042 0.000 0.823 87 A CB -0.191 18.849 19.000 0.067 0.000 0.846 87 A HN 0.486 nan 8.150 nan 0.000 0.486 88 I N 1.009 121.575 120.570 -0.008 0.000 2.354 88 I HA 0.254 4.425 4.170 0.002 0.000 0.292 88 I C 0.051 176.145 176.117 -0.038 0.000 0.989 88 I CA -0.421 60.850 61.300 -0.049 0.000 1.188 88 I CB 1.002 38.952 38.000 -0.083 0.000 1.342 88 I HN -0.040 nan 8.210 nan 0.000 0.457 89 S N 4.331 120.006 115.700 -0.042 0.000 2.572 89 S HA 0.251 4.722 4.470 0.002 0.000 0.279 89 S C 1.393 175.979 174.600 -0.024 0.000 1.341 89 S CA -0.179 58.007 58.200 -0.023 0.000 1.043 89 S CB 1.329 64.519 63.200 -0.018 0.000 0.887 89 S HN 0.768 nan 8.310 nan 0.000 0.516 90 A N 1.842 124.660 122.820 -0.004 0.000 2.070 90 A HA -0.128 4.193 4.320 0.002 0.000 0.220 90 A C 1.556 179.153 177.584 0.021 0.000 1.159 90 A CA 1.533 53.579 52.037 0.015 0.000 0.656 90 A CB -0.453 18.560 19.000 0.023 0.000 0.800 90 A HN 0.868 nan 8.150 nan 0.000 0.453 91 D N -0.887 119.516 120.400 0.006 0.000 2.340 91 D HA -0.034 4.607 4.640 0.002 0.000 0.217 91 D C 0.290 176.586 176.300 -0.007 0.000 1.081 91 D CA -0.490 53.515 54.000 0.008 0.000 0.842 91 D CB -0.921 39.883 40.800 0.007 0.000 0.934 91 D HN 0.242 nan 8.370 nan 0.000 0.511 92 N N 1.884 120.564 118.700 -0.033 0.000 2.294 92 N HA -0.072 4.669 4.740 0.002 0.000 0.263 92 N C -1.483 174.006 175.510 -0.036 0.000 1.281 92 N CA -0.686 52.324 53.050 -0.066 0.000 0.846 92 N CB 1.348 39.743 38.487 -0.154 0.000 1.061 92 N HN -0.098 nan 8.380 nan 0.000 0.478 93 P HA -0.184 nan 4.420 nan 0.000 0.216 93 P C 0.680 177.972 177.300 -0.013 0.000 1.154 93 P CA 1.693 64.795 63.100 0.003 0.000 0.865 93 P CB 0.213 31.930 31.700 0.029 0.000 0.789 94 E N -0.874 119.322 120.200 -0.007 0.000 2.077 94 E HA -0.153 4.198 4.350 0.002 0.000 0.193 94 E C 2.073 178.633 176.600 -0.066 0.000 0.989 94 E CA 0.950 57.339 56.400 -0.019 0.000 0.800 94 E CB -0.556 29.181 29.700 0.062 0.000 0.746 94 E HN 0.286 nan 8.360 nan 0.000 0.452 95 I N 0.807 121.328 120.570 -0.080 0.000 2.142 95 I HA -0.248 3.923 4.170 0.002 0.000 0.240 95 I C 2.412 178.446 176.117 -0.139 0.000 1.078 95 I CA 0.849 62.060 61.300 -0.147 0.000 1.343 95 I CB -0.363 37.581 38.000 -0.092 0.000 1.046 95 I HN -0.011 nan 8.210 nan 0.000 0.405 96 V N 1.331 121.238 119.914 -0.012 0.000 2.332 96 V HA -0.321 3.800 4.120 0.002 0.000 0.248 96 V C 2.784 178.885 176.094 0.012 0.000 1.055 96 V CA 2.038 64.370 62.300 0.053 0.000 1.038 96 V CB -1.233 30.614 31.823 0.040 0.000 0.651 96 V HN 0.505 nan 8.190 nan 0.000 0.450 97 A N 0.174 122.974 122.820 -0.033 0.000 1.883 97 A HA -0.162 4.159 4.320 0.002 0.000 0.217 97 A C 2.467 180.009 177.584 -0.069 0.000 1.186 97 A CA 2.366 54.374 52.037 -0.048 0.000 0.624 97 A CB -0.924 18.035 19.000 -0.068 0.000 0.822 97 A HN 0.599 nan 8.150 nan 0.000 0.444 98 A N -0.991 121.753 122.820 -0.127 0.000 1.883 98 A HA -0.230 4.091 4.320 0.002 0.000 0.217 98 A C 2.065 179.569 177.584 -0.133 0.000 1.186 98 A CA 1.781 53.716 52.037 -0.170 0.000 0.624 98 A CB -1.010 17.841 19.000 -0.249 0.000 0.822 98 A HN 0.661 nan 8.150 nan 0.000 0.444 99 H N -0.839 118.208 119.070 -0.037 0.000 2.352 99 H HA -0.124 4.432 4.556 0.002 0.000 0.299 99 H C 2.105 177.416 175.328 -0.029 0.000 1.097 99 H CA 1.876 57.905 56.048 -0.032 0.000 1.311 99 H CB -0.389 29.356 29.762 -0.027 0.000 1.377 99 H HN 0.623 nan 8.280 nan 0.000 0.504 100 E N 0.647 120.900 120.200 0.089 0.000 2.085 100 E HA -0.095 4.256 4.350 0.002 0.000 0.194 100 E C 2.038 178.645 176.600 0.012 0.000 0.994 100 E CA 1.226 57.648 56.400 0.036 0.000 0.801 100 E CB -0.098 29.610 29.700 0.014 0.000 0.743 100 E HN 0.425 nan 8.360 nan 0.000 0.453 101 A N -0.707 122.109 122.820 -0.008 0.000 2.251 101 A HA 0.112 4.433 4.320 0.002 0.000 0.209 101 A C 0.623 178.198 177.584 -0.014 0.000 1.187 101 A CA 0.504 52.529 52.037 -0.021 0.000 0.823 101 A CB -0.065 18.908 19.000 -0.046 0.000 0.846 101 A HN 0.060 nan 8.150 nan 0.000 0.486 102 R N -1.722 118.781 120.500 0.006 0.000 3.651 102 R HA -0.156 4.185 4.340 0.002 0.000 0.292 102 R C -0.190 176.106 176.300 -0.006 0.000 1.161 102 R CA 1.152 57.259 56.100 0.012 0.000 0.787 102 R CB -3.277 27.027 30.300 0.007 0.000 1.249 102 R HN 0.680 nan 8.270 nan 0.000 0.476 103 I N 2.248 122.800 120.570 -0.031 0.000 2.342 103 I HA 0.309 4.480 4.170 0.002 0.000 0.291 103 I C -1.528 174.550 176.117 -0.064 0.000 1.010 103 I CA -2.542 58.721 61.300 -0.060 0.000 1.308 103 I CB 1.248 39.188 38.000 -0.099 0.000 1.400 103 I HN -0.057 nan 8.210 nan 0.000 0.488 104 P HA 0.015 nan 4.420 nan 0.000 0.264 104 P C -0.644 176.602 177.300 -0.091 0.000 1.193 104 P CA 0.089 63.162 63.100 -0.045 0.000 0.763 104 P CB 0.644 32.318 31.700 -0.043 0.000 0.810 105 V N 5.636 125.501 119.914 -0.081 0.000 2.417 105 V HA 0.461 4.582 4.120 0.002 0.000 0.291 105 V C 0.639 176.689 176.094 -0.072 0.000 1.024 105 V CA -0.540 61.686 62.300 -0.124 0.000 0.861 105 V CB 1.156 32.849 31.823 -0.216 0.000 0.985 105 V HN 0.463 nan 8.190 nan 0.000 0.436 106 I N 1.762 122.265 120.570 -0.111 0.000 2.828 106 I HA 0.723 4.894 4.170 0.002 0.000 0.302 106 I C -0.123 175.919 176.117 -0.126 0.000 1.101 106 I CA -1.187 60.043 61.300 -0.116 0.000 1.031 106 I CB 2.132 40.046 38.000 -0.144 0.000 1.231 106 I HN 0.384 nan 8.210 nan 0.000 0.427 107 R N 2.061 122.481 120.500 -0.133 0.000 2.637 107 R HA 0.287 4.628 4.340 0.002 0.000 0.269 107 R C 1.274 177.504 176.300 -0.116 0.000 1.089 107 R CA -0.412 55.624 56.100 -0.107 0.000 1.177 107 R CB 0.647 30.899 30.300 -0.080 0.000 1.091 107 R HN 0.669 nan 8.270 nan 0.000 0.540 108 R N 1.376 121.843 120.500 -0.054 0.000 2.113 108 R HA -0.270 4.071 4.340 0.002 0.000 0.244 108 R C 1.796 178.077 176.300 -0.031 0.000 1.142 108 R CA 2.330 58.421 56.100 -0.014 0.000 0.953 108 R CB -0.439 29.874 30.300 0.020 0.000 0.860 108 R HN 0.766 nan 8.270 nan 0.000 0.438 109 A N 0.871 123.667 122.820 -0.040 0.000 1.933 109 A HA -0.114 4.208 4.320 0.002 0.000 0.218 109 A C 1.037 178.557 177.584 -0.107 0.000 1.175 109 A CA 0.904 52.936 52.037 -0.009 0.000 0.628 109 A CB -0.328 18.737 19.000 0.109 0.000 0.814 109 A HN 0.493 nan 8.150 nan 0.000 0.444 113 A N 0.262 123.096 122.820 0.022 0.000 1.969 113 A HA -0.128 4.193 4.320 0.002 0.000 0.218 113 A C 1.684 179.263 177.584 -0.008 0.000 1.169 113 A CA 1.524 53.576 52.037 0.025 0.000 0.635 113 A CB -0.197 18.834 19.000 0.050 0.000 0.810 113 A HN 0.487 nan 8.150 nan 0.000 0.445 114 E N -0.237 119.954 120.200 -0.015 0.000 2.107 114 E HA -0.029 4.322 4.350 0.002 0.000 0.191 114 E C 0.716 177.330 176.600 0.024 0.000 0.982 114 E CA 0.150 56.544 56.400 -0.010 0.000 0.809 114 E CB -0.544 29.146 29.700 -0.017 0.000 0.756 114 E HN 0.453 nan 8.360 nan 0.000 0.459 118 F N 2.333 122.298 119.950 0.024 0.000 2.684 118 F HA 0.506 5.034 4.527 0.001 0.000 0.298 118 F C 0.361 176.174 175.800 0.023 0.000 1.120 118 F CA -0.135 57.879 58.000 0.024 0.000 1.332 118 F CB 0.600 39.617 39.000 0.028 0.000 0.986 118 F HN -0.202 nan 8.300 nan 0.000 0.524 119 R N -1.314 119.257 120.500 0.120 0.000 2.902 119 R HA 0.309 4.650 4.340 0.002 0.000 0.258 119 R C -0.742 175.598 176.300 0.067 0.000 1.071 119 R CA -1.128 55.029 56.100 0.094 0.000 1.024 119 R CB 1.072 31.430 30.300 0.097 0.000 1.184 119 R HN 0.056 nan 8.270 nan 0.000 0.492 120 H N -0.100 118.941 119.070 -0.049 0.000 3.008 120 H HA 0.229 4.785 4.556 0.001 0.000 0.268 120 H C -0.140 175.209 175.328 0.035 0.000 1.323 120 H CA -0.080 55.943 56.048 -0.041 0.000 1.401 120 H CB 0.228 29.888 29.762 -0.170 0.000 1.556 120 H HN 0.707 nan 8.280 nan 0.000 0.502 121 G N 5.130 113.886 108.800 -0.073 0.000 2.380 121 G HA2 0.371 4.332 3.960 0.002 0.000 0.262 121 G HA3 0.371 4.332 3.960 0.002 0.000 0.262 121 G C -0.428 174.457 174.900 -0.024 0.000 1.243 121 G CA -0.589 44.505 45.100 -0.010 0.000 0.865 121 G HN 0.691 nan 8.290 nan 0.000 0.513 122 I N 2.150 122.756 120.570 0.060 0.000 2.390 122 I HA 0.415 4.586 4.170 0.002 0.000 0.283 122 I C 0.428 176.593 176.117 0.080 0.000 1.016 122 I CA -0.605 60.727 61.300 0.053 0.000 1.151 122 I CB 1.826 39.843 38.000 0.027 0.000 1.293 122 I HN 0.520 nan 8.210 nan 0.000 0.458 123 A N 7.344 130.238 122.820 0.124 0.000 2.292 123 A HA 0.792 5.113 4.320 0.002 0.000 0.319 123 A C -0.605 177.116 177.584 0.228 0.000 1.206 123 A CA -0.377 51.789 52.037 0.214 0.000 0.835 123 A CB 0.385 19.614 19.000 0.381 0.000 1.164 123 A HN 0.597 nan 8.150 nan 0.000 0.505 124 I N 2.502 123.180 120.570 0.180 0.000 2.330 124 I HA 0.520 4.691 4.170 0.002 0.000 0.286 124 I C 0.638 176.851 176.117 0.161 0.000 1.025 124 I CA 0.531 61.926 61.300 0.160 0.000 1.197 124 I CB 1.294 39.353 38.000 0.098 0.000 1.358 124 I HN 0.705 nan 8.210 nan 0.000 0.467 125 A N 4.145 127.097 122.820 0.220 0.000 2.344 125 A HA 1.046 5.367 4.320 0.002 0.000 0.307 125 A C 0.105 177.826 177.584 0.230 0.000 1.151 125 A CA -0.195 51.958 52.037 0.194 0.000 0.842 125 A CB 1.377 20.529 19.000 0.253 0.000 1.350 125 A HN 1.019 nan 8.150 nan 0.000 0.459 126 G N -1.815 107.154 108.800 0.282 0.000 2.340 126 G HA2 0.333 4.294 3.960 0.002 0.000 0.527 126 G HA3 0.333 4.294 3.960 0.002 0.000 0.527 126 G C 0.187 175.133 174.900 0.076 0.000 1.381 126 G CA 0.219 45.408 45.100 0.148 0.000 1.001 126 G HN 1.014 nan 8.290 nan 0.000 0.626 127 T N 0.556 115.049 114.554 -0.102 0.000 2.698 127 T HA 0.106 4.457 4.350 0.002 0.000 0.260 127 T C 0.914 175.477 174.700 -0.228 0.000 1.044 127 T CA 1.837 63.787 62.100 -0.250 0.000 1.149 127 T CB -0.258 68.251 68.868 -0.599 0.000 0.864 127 T HN 0.642 nan 8.240 nan 0.000 0.419 128 H N -1.292 117.776 119.070 -0.003 0.000 2.710 128 H HA 0.526 5.083 4.556 0.002 0.000 0.361 128 H C 1.330 176.698 175.328 0.068 0.000 1.175 128 H CA -0.607 55.453 56.048 0.020 0.000 1.206 128 H CB 0.918 30.659 29.762 -0.036 0.000 1.750 128 H HN 0.400 nan 8.280 nan 0.000 0.553 129 G N 0.707 109.651 108.800 0.240 0.000 2.148 129 G HA2 -0.336 3.625 3.960 0.002 0.000 0.254 129 G HA3 -0.336 3.625 3.960 0.002 0.000 0.254 129 G C 1.153 176.135 174.900 0.137 0.000 0.981 129 G CA 0.673 45.887 45.100 0.189 0.000 0.670 129 G HN 0.583 nan 8.290 nan 0.000 0.528 130 K N -0.505 119.972 120.400 0.128 0.000 2.001 130 K HA -0.048 4.273 4.320 0.002 0.000 0.208 130 K C 2.647 179.299 176.600 0.086 0.000 1.048 130 K CA 1.789 58.135 56.287 0.098 0.000 0.932 130 K CB -0.406 32.145 32.500 0.084 0.000 0.715 130 K HN 0.333 nan 8.250 nan 0.000 0.437 131 T N 0.884 115.492 114.554 0.090 0.000 2.720 131 T HA -0.142 4.210 4.350 0.002 0.000 0.268 131 T C 1.944 176.700 174.700 0.093 0.000 1.037 131 T CA 1.896 64.041 62.100 0.075 0.000 1.144 131 T CB -0.363 68.532 68.868 0.045 0.000 0.864 131 T HN 0.292 nan 8.240 nan 0.000 0.444 132 T N 1.616 116.241 114.554 0.117 0.000 2.777 132 T HA -0.082 4.269 4.350 0.002 0.000 0.266 132 T C 2.330 177.056 174.700 0.044 0.000 1.040 132 T CA 1.533 63.719 62.100 0.143 0.000 1.141 132 T CB -0.613 68.347 68.868 0.152 0.000 0.868 132 T HN 0.396 nan 8.240 nan 0.000 0.444 133 T N 1.572 116.135 114.554 0.015 0.000 2.708 133 T HA -0.129 4.222 4.350 0.002 0.000 0.266 133 T C 2.381 177.053 174.700 -0.047 0.000 1.037 133 T CA 1.820 63.892 62.100 -0.045 0.000 1.146 133 T CB -0.697 68.163 68.868 -0.012 0.000 0.865 133 T HN 0.573 nan 8.240 nan 0.000 0.435 134 T N 1.393 115.947 114.554 0.000 0.000 2.867 134 T HA 0.180 4.531 4.350 0.002 0.000 0.268 134 T C 1.047 175.718 174.700 -0.048 0.000 1.057 134 T CA 0.852 62.947 62.100 -0.008 0.000 1.136 134 T CB -0.509 68.381 68.868 0.036 0.000 0.874 134 T HN 0.401 nan 8.240 nan 0.000 0.466 138 S N 0.430 116.071 115.700 -0.097 0.000 2.423 138 S HA -0.120 4.351 4.470 0.002 0.000 0.231 138 S C 1.800 176.381 174.600 -0.033 0.000 1.014 138 S CA 1.709 59.840 58.200 -0.115 0.000 0.965 138 S CB -0.122 62.842 63.200 -0.393 0.000 0.785 138 S HN 0.501 nan 8.310 nan 0.000 0.495 139 S N 2.187 117.880 115.700 -0.012 0.000 2.368 139 S HA 0.106 4.577 4.470 0.002 0.000 0.224 139 S C 1.770 176.405 174.600 0.058 0.000 1.029 139 S CA 1.333 59.564 58.200 0.053 0.000 0.988 139 S CB -0.497 62.793 63.200 0.150 0.000 0.838 139 S HN 0.528 nan 8.310 nan 0.000 0.462 140 I N -0.099 120.507 120.570 0.059 0.000 2.252 140 I HA -0.184 3.987 4.170 0.002 0.000 0.245 140 I C 2.010 178.133 176.117 0.009 0.000 1.102 140 I CA 1.335 62.652 61.300 0.029 0.000 1.385 140 I CB -0.374 37.639 38.000 0.022 0.000 1.064 140 I HN 0.246 nan 8.210 nan 0.000 0.414 141 Y N 0.818 121.064 120.300 -0.090 0.000 2.242 141 Y HA -0.134 4.416 4.550 0.001 0.000 0.291 141 Y C 2.623 178.486 175.900 -0.061 0.000 1.137 141 Y CA 1.155 59.182 58.100 -0.123 0.000 1.181 141 Y CB -0.680 37.684 38.460 -0.161 0.000 0.989 141 Y HN 0.096 nan 8.280 nan 0.000 0.527 142 A N -0.154 122.747 122.820 0.135 0.000 1.873 142 A HA -0.206 4.116 4.320 0.002 0.000 0.215 142 A C 2.096 179.713 177.584 0.055 0.000 1.186 142 A CA 1.788 53.890 52.037 0.109 0.000 0.616 142 A CB -0.690 18.381 19.000 0.118 0.000 0.823 142 A HN 0.354 nan 8.150 nan 0.000 0.442 143 E N 0.475 120.694 120.200 0.032 0.000 2.097 143 E HA -0.155 4.196 4.350 0.002 0.000 0.196 143 E C 1.785 178.371 176.600 -0.024 0.000 1.000 143 E CA 1.688 58.091 56.400 0.005 0.000 0.804 143 E CB -0.466 29.232 29.700 -0.004 0.000 0.740 143 E HN 0.494 nan 8.360 nan 0.000 0.454 144 A N -0.792 121.990 122.820 -0.063 0.000 2.239 144 A HA 0.262 4.583 4.320 0.002 0.000 0.209 144 A C 1.718 179.263 177.584 -0.064 0.000 1.171 144 A CA 1.068 53.045 52.037 -0.100 0.000 0.768 144 A CB -0.895 17.979 19.000 -0.210 0.000 0.790 144 A HN 0.523 nan 8.150 nan 0.000 0.478 145 G N -1.169 107.620 108.800 -0.019 0.000 2.153 145 G HA2 -0.266 3.695 3.960 0.002 0.000 0.252 145 G HA3 -0.266 3.695 3.960 0.002 0.000 0.252 145 G C 0.607 175.527 174.900 0.034 0.000 0.994 145 G CA 0.504 45.611 45.100 0.013 0.000 0.698 145 G HN 0.526 nan 8.290 nan 0.000 0.521 146 L N -0.054 121.182 121.223 0.022 0.000 2.599 146 L HA 0.192 4.533 4.340 0.002 0.000 0.230 146 L C 1.295 178.280 176.870 0.191 0.000 1.141 146 L CA 0.457 55.340 54.840 0.072 0.000 0.877 146 L CB -0.072 41.917 42.059 -0.116 0.000 1.009 146 L HN 0.319 nan 8.230 nan 0.000 0.447 147 D N 0.849 121.352 120.400 0.172 0.000 2.810 147 D HA -0.132 4.510 4.640 0.002 0.000 0.224 147 D C -2.102 174.358 176.300 0.265 0.000 1.222 147 D CA -0.027 54.102 54.000 0.216 0.000 0.698 147 D CB 0.086 41.017 40.800 0.219 0.000 0.961 147 D HN 0.161 nan 8.370 nan 0.000 0.403 148 P HA 0.147 nan 4.420 nan 0.000 0.278 148 P C -0.042 177.420 177.300 0.270 0.000 1.238 148 P CA -0.420 62.870 63.100 0.317 0.000 0.794 148 P CB 1.073 32.938 31.700 0.275 0.000 0.955 149 T N 1.048 115.722 114.554 0.199 0.000 2.856 149 T HA 0.598 4.949 4.350 0.002 0.000 0.292 149 T C -0.385 174.404 174.700 0.149 0.000 0.980 149 T CA -0.429 61.714 62.100 0.072 0.000 1.091 149 T CB -0.386 68.494 68.868 0.020 0.000 0.936 149 T HN 0.335 nan 8.240 nan 0.000 0.503 150 F N 1.106 121.096 119.950 0.067 0.000 2.599 150 F HA 0.789 5.317 4.527 0.002 0.000 0.311 150 F C -1.719 174.116 175.800 0.057 0.000 1.076 150 F CA -1.641 56.393 58.000 0.056 0.000 0.937 150 F CB 1.397 40.427 39.000 0.049 0.000 1.282 150 F HN 0.381 nan 8.300 nan 0.000 0.460 151 V N 3.014 123.106 119.914 0.296 0.000 2.445 151 V HA 0.377 4.498 4.120 0.002 0.000 0.283 151 V C -0.938 175.302 176.094 0.242 0.000 1.014 151 V CA -0.490 61.930 62.300 0.200 0.000 0.852 151 V CB 0.998 32.881 31.823 0.101 0.000 1.021 151 V HN 0.873 nan 8.190 nan 0.000 0.435 152 N N 2.885 121.762 118.700 0.295 0.000 2.459 152 N HA 0.508 5.249 4.740 0.002 0.000 0.288 152 N C 1.175 176.796 175.510 0.186 0.000 1.186 152 N CA 0.224 53.402 53.050 0.213 0.000 0.917 152 N CB 2.433 41.034 38.487 0.190 0.000 1.219 152 N HN 0.560 nan 8.380 nan 0.000 0.525 153 G N -0.820 108.054 108.800 0.123 0.000 2.712 153 G HA2 0.196 4.157 3.960 0.002 0.000 0.212 153 G HA3 0.196 4.157 3.960 0.002 0.000 0.212 153 G C 0.454 175.428 174.900 0.124 0.000 1.142 153 G CA 0.411 45.566 45.100 0.091 0.000 0.789 153 G HN 0.616 nan 8.290 nan 0.000 0.535 154 G N -0.949 107.914 108.800 0.106 0.000 2.658 154 G HA2 0.507 4.469 3.960 0.002 0.000 0.292 154 G HA3 0.507 4.469 3.960 0.002 0.000 0.292 154 G C -1.051 173.690 174.900 -0.266 0.000 1.320 154 G CA -0.976 44.116 45.100 -0.013 0.000 0.933 154 G HN 0.288 nan 8.290 nan 0.000 0.476 155 L N 1.068 121.939 121.223 -0.587 0.000 2.462 155 L HA 0.390 4.731 4.340 0.002 0.000 0.272 155 L C -0.107 176.619 176.870 -0.240 0.000 1.166 155 L CA -0.395 54.066 54.840 -0.632 0.000 0.880 155 L CB 0.712 42.487 42.059 -0.474 0.000 1.142 155 L HN 0.159 nan 8.230 nan 0.000 0.473 156 V N 7.270 127.107 119.914 -0.128 0.000 2.372 156 V HA 0.122 4.243 4.120 0.002 0.000 0.261 156 V C 1.189 177.234 176.094 -0.082 0.000 1.055 156 V CA -0.523 61.726 62.300 -0.085 0.000 0.930 156 V CB 0.633 32.409 31.823 -0.078 0.000 1.031 156 V HN 0.836 nan 8.190 nan 0.000 0.479 157 K N 4.061 124.383 120.400 -0.130 0.000 2.074 157 K HA -0.199 4.122 4.320 0.002 0.000 0.209 157 K C 2.159 178.713 176.600 -0.076 0.000 1.048 157 K CA 1.609 57.831 56.287 -0.109 0.000 0.926 157 K CB -0.383 32.032 32.500 -0.141 0.000 0.713 157 K HN 0.734 nan 8.250 nan 0.000 0.444 158 A N 1.251 124.015 122.820 -0.093 0.000 1.972 158 A HA -0.065 4.256 4.320 0.002 0.000 0.219 158 A C 2.303 179.894 177.584 0.012 0.000 1.169 158 A CA 2.005 54.016 52.037 -0.045 0.000 0.635 158 A CB -0.359 18.612 19.000 -0.048 0.000 0.810 158 A HN 0.351 nan 8.150 nan 0.000 0.446 159 A N -2.474 120.370 122.820 0.041 0.000 2.095 159 A HA 0.424 4.745 4.320 0.002 0.000 0.212 159 A C 1.962 179.593 177.584 0.078 0.000 1.162 159 A CA 1.228 53.332 52.037 0.111 0.000 0.753 159 A CB -0.606 18.555 19.000 0.269 0.000 0.840 159 A HN 1.843 nan 8.150 nan 0.000 0.468 160 G N -1.258 107.565 108.800 0.037 0.000 2.162 160 G HA2 -0.130 3.831 3.960 0.002 0.000 0.260 160 G HA3 -0.130 3.831 3.960 0.002 0.000 0.260 160 G C 0.355 175.271 174.900 0.026 0.000 0.976 160 G CA 0.929 46.040 45.100 0.018 0.000 0.655 160 G HN 1.828 nan 8.290 nan 0.000 0.533 161 V N -5.028 114.920 119.914 0.055 0.000 3.130 161 V HA 0.817 4.938 4.120 0.002 0.000 0.310 161 V C 1.009 177.156 176.094 0.089 0.000 1.158 161 V CA -0.260 62.089 62.300 0.081 0.000 1.029 161 V CB 1.385 33.262 31.823 0.089 0.000 1.057 161 V HN 0.077 nan 8.190 nan 0.000 0.436 162 H N 1.020 120.149 119.070 0.097 0.000 2.470 162 H HA 0.700 5.257 4.556 0.002 0.000 0.289 162 H C 0.809 176.264 175.328 0.212 0.000 1.033 162 H CA 1.632 57.757 56.048 0.128 0.000 1.331 162 H CB 0.405 30.195 29.762 0.047 0.000 1.414 162 H HN 1.088 nan 8.280 nan 0.000 0.545 163 A N -0.164 122.750 122.820 0.156 0.000 2.589 163 A HA 0.674 4.995 4.320 0.002 0.000 0.296 163 A C -1.127 176.172 177.584 -0.475 0.000 1.062 163 A CA -0.785 51.132 52.037 -0.201 0.000 0.686 163 A CB 1.696 20.646 19.000 -0.083 0.000 1.282 163 A HN 0.230 nan 8.150 nan 0.000 0.404 164 R N 1.234 121.164 120.500 -0.950 0.000 2.584 164 R HA 0.558 4.899 4.340 0.002 0.000 0.276 164 R C -1.911 174.130 176.300 -0.432 0.000 1.046 164 R CA -0.757 54.983 56.100 -0.599 0.000 0.906 164 R CB 1.476 31.441 30.300 -0.557 0.000 1.215 164 R HN 0.850 nan 8.270 nan 0.000 0.449 165 L N 3.668 124.761 121.223 -0.217 0.000 2.313 165 L HA 0.533 4.874 4.340 0.002 0.000 0.282 165 L C -0.164 176.639 176.870 -0.112 0.000 1.092 165 L CA 0.590 55.349 54.840 -0.135 0.000 0.831 165 L CB 1.148 43.147 42.059 -0.100 0.000 1.159 165 L HN 0.747 nan 8.230 nan 0.000 0.442 166 G N 2.949 111.718 108.800 -0.052 0.000 2.509 166 G HA2 0.246 4.207 3.960 0.002 0.000 0.328 166 G HA3 0.246 4.207 3.960 0.002 0.000 0.328 166 G C 0.403 175.281 174.900 -0.036 0.000 1.194 166 G CA -0.364 44.750 45.100 0.024 0.000 0.967 166 G HN 0.796 nan 8.290 nan 0.000 0.488 167 H N 0.276 119.396 119.070 0.085 0.000 2.512 167 H HA 0.045 4.602 4.556 0.001 0.000 0.279 167 H C 1.969 177.354 175.328 0.095 0.000 0.999 167 H CA 0.601 56.695 56.048 0.076 0.000 1.283 167 H CB 0.319 30.119 29.762 0.064 0.000 1.421 167 H HN 0.490 nan 8.280 nan 0.000 0.554 168 G N 0.354 109.299 108.800 0.241 0.000 2.611 168 G HA2 0.051 4.013 3.960 0.002 0.000 0.273 168 G HA3 0.051 4.013 3.960 0.002 0.000 0.273 168 G C 0.801 175.792 174.900 0.152 0.000 1.305 168 G CA -0.460 44.783 45.100 0.239 0.000 1.010 168 G HN 0.236 nan 8.290 nan 0.000 0.509 169 R N -1.344 119.180 120.500 0.040 0.000 2.334 169 R HA 0.153 4.494 4.340 0.002 0.000 0.216 169 R C -0.411 175.839 176.300 -0.082 0.000 0.905 169 R CA -0.262 55.805 56.100 -0.055 0.000 1.064 169 R CB 0.002 30.228 30.300 -0.122 0.000 1.046 169 R HN 0.509 nan 8.270 nan 0.000 0.508 170 Y N 0.446 120.839 120.300 0.155 0.000 2.335 170 Y HA 0.193 4.745 4.550 0.003 0.000 0.331 170 Y C -0.099 175.875 175.900 0.123 0.000 1.094 170 Y CA -0.618 57.579 58.100 0.162 0.000 1.253 170 Y CB 0.866 39.419 38.460 0.155 0.000 1.203 170 Y HN -0.067 nan 8.280 nan 0.000 0.508 171 L N 5.715 127.084 121.223 0.243 0.000 2.319 171 L HA 0.576 4.917 4.340 0.002 0.000 0.281 171 L C -1.246 175.707 176.870 0.139 0.000 1.005 171 L CA -0.434 54.507 54.840 0.168 0.000 0.828 171 L CB 0.576 42.707 42.059 0.120 0.000 1.227 171 L HN 0.530 nan 8.230 nan 0.000 0.415 172 I N 5.657 126.310 120.570 0.138 0.000 2.328 172 I HA 0.711 4.882 4.170 0.002 0.000 0.287 172 I C -0.131 176.072 176.117 0.144 0.000 1.012 172 I CA -0.313 61.039 61.300 0.088 0.000 1.195 172 I CB 1.315 39.322 38.000 0.011 0.000 1.350 172 I HN 0.774 nan 8.210 nan 0.000 0.464 173 A N 5.269 128.160 122.820 0.119 0.000 2.449 173 A HA 0.486 4.807 4.320 0.002 0.000 0.302 173 A C -0.627 177.027 177.584 0.117 0.000 1.048 173 A CA -0.643 51.472 52.037 0.130 0.000 0.708 173 A CB 1.475 20.549 19.000 0.123 0.000 1.274 173 A HN 0.712 nan 8.150 nan 0.000 0.410 174 E N 1.589 121.853 120.200 0.107 0.000 2.344 174 E HA 0.465 4.816 4.350 0.002 0.000 0.270 174 E C 0.011 176.654 176.600 0.073 0.000 1.021 174 E CA -0.109 56.342 56.400 0.085 0.000 0.887 174 E CB 0.700 30.443 29.700 0.073 0.000 0.997 174 E HN 0.811 nan 8.360 nan 0.000 0.429 175 A N 4.642 127.496 122.820 0.057 0.000 2.304 175 A HA 0.246 4.567 4.320 0.002 0.000 0.323 175 A C -0.840 176.659 177.584 -0.141 0.000 1.195 175 A CA -0.786 51.267 52.037 0.026 0.000 0.826 175 A CB 1.246 20.296 19.000 0.082 0.000 1.184 175 A HN 0.708 nan 8.150 nan 0.000 0.496 176 D N 1.825 122.120 120.400 -0.175 0.000 2.317 176 D HA 0.213 4.854 4.640 0.002 0.000 0.234 176 D C 0.954 176.848 176.300 -0.676 0.000 1.112 176 D CA -0.241 53.570 54.000 -0.315 0.000 0.840 176 D CB 1.125 41.828 40.800 -0.160 0.000 1.078 176 D HN 0.588 nan 8.370 nan 0.000 0.486 177 E N 2.320 121.937 120.200 -0.973 0.000 2.400 177 E HA -0.113 4.238 4.350 0.002 0.000 0.195 177 E C 1.257 177.585 176.600 -0.453 0.000 1.012 177 E CA 0.436 56.072 56.400 -1.272 0.000 0.875 177 E CB -0.444 28.336 29.700 -1.534 0.000 0.859 177 E HN 0.339 nan 8.360 nan 0.000 0.498 178 S N 2.055 117.504 115.700 -0.418 0.000 2.420 178 S HA -0.188 4.283 4.470 0.002 0.000 0.237 178 S C 1.165 175.630 174.600 -0.225 0.000 1.023 178 S CA 1.604 59.533 58.200 -0.451 0.000 0.991 178 S CB -0.428 62.202 63.200 -0.950 0.000 0.792 178 S HN 0.414 nan 8.310 nan 0.000 0.488 179 D N -0.515 119.766 120.400 -0.199 0.000 2.535 179 D HA 0.493 5.134 4.640 0.002 0.000 0.229 179 D C 0.837 177.062 176.300 -0.125 0.000 1.238 179 D CA 0.264 54.176 54.000 -0.147 0.000 0.824 179 D CB -0.107 40.641 40.800 -0.086 0.000 1.045 179 D HN 0.658 nan 8.370 nan 0.000 0.500 180 A N 0.637 123.399 122.820 -0.097 0.000 2.945 180 A HA -0.301 4.020 4.320 0.002 0.000 0.263 180 A C 1.824 179.532 177.584 0.205 0.000 1.293 180 A CA 1.569 53.664 52.037 0.097 0.000 0.944 180 A CB -2.600 16.406 19.000 0.011 0.000 1.093 180 A HN 0.759 nan 8.150 nan 0.000 0.786 181 S N -0.264 115.520 115.700 0.141 0.000 2.453 181 S HA 0.019 4.490 4.470 0.002 0.000 0.231 181 S C 1.516 176.313 174.600 0.328 0.000 1.005 181 S CA 1.216 59.551 58.200 0.225 0.000 0.949 181 S CB -0.810 62.486 63.200 0.159 0.000 0.774 181 S HN 1.750 nan 8.310 nan 0.000 0.510 182 F N 2.260 122.165 119.950 -0.074 0.000 2.529 182 F HA 0.208 4.737 4.527 0.002 0.000 0.297 182 F C 1.300 177.129 175.800 0.048 0.000 1.114 182 F CA -0.483 57.451 58.000 -0.111 0.000 1.467 182 F CB -1.398 37.331 39.000 -0.452 0.000 1.096 182 F HN 0.179 nan 8.300 nan 0.000 0.586 183 L N 0.011 121.211 121.223 -0.038 0.000 2.353 183 L HA -0.174 4.167 4.340 0.002 0.000 0.220 183 L C 2.631 179.435 176.870 -0.110 0.000 1.133 183 L CA 0.855 55.606 54.840 -0.149 0.000 0.798 183 L CB -0.993 40.960 42.059 -0.178 0.000 0.922 183 L HN 0.253 nan 8.230 nan 0.000 0.445 184 H N 0.028 119.124 119.070 0.043 0.000 2.462 184 H HA 0.081 4.638 4.556 0.002 0.000 0.292 184 H C 0.995 176.340 175.328 0.028 0.000 1.049 184 H CA 0.344 56.408 56.048 0.027 0.000 1.334 184 H CB 0.042 29.822 29.762 0.029 0.000 1.404 184 H HN 0.242 nan 8.280 nan 0.000 0.544 185 L N 2.172 123.508 121.223 0.189 0.000 2.453 185 L HA 0.018 4.359 4.340 0.002 0.000 0.272 185 L C 0.481 177.371 176.870 0.034 0.000 1.182 185 L CA 0.286 55.215 54.840 0.148 0.000 0.858 185 L CB 0.543 42.763 42.059 0.267 0.000 1.120 185 L HN 0.050 nan 8.230 nan 0.000 0.474 186 Q N 4.068 123.854 119.800 -0.023 0.000 2.849 186 Q HA 0.338 4.679 4.340 0.002 0.000 0.289 186 Q C -2.152 173.769 176.000 -0.131 0.000 1.012 186 Q CA -1.474 54.266 55.803 -0.105 0.000 0.899 186 Q CB 1.159 29.834 28.738 -0.106 0.000 1.235 186 Q HN 0.476 nan 8.270 nan 0.000 0.457 190 A N 4.506 127.332 122.820 0.009 0.000 2.381 190 A HA 0.921 5.242 4.320 0.002 0.000 0.299 190 A C -1.049 176.627 177.584 0.154 0.000 1.049 190 A CA -0.435 51.658 52.037 0.095 0.000 0.715 190 A CB 1.098 20.095 19.000 -0.005 0.000 1.222 190 A HN 0.772 nan 8.150 nan 0.000 0.428 191 I N 2.359 123.049 120.570 0.200 0.000 2.365 191 I HA 0.379 4.550 4.170 0.002 0.000 0.291 191 I C -0.635 175.636 176.117 0.256 0.000 1.004 191 I CA -0.668 60.752 61.300 0.200 0.000 1.311 191 I CB 1.830 39.918 38.000 0.147 0.000 1.401 191 I HN 0.317 nan 8.210 nan 0.000 0.491 192 V N 5.292 125.339 119.914 0.221 0.000 2.349 192 V HA 0.104 4.225 4.120 0.002 0.000 0.284 192 V C 0.949 177.096 176.094 0.089 0.000 1.014 192 V CA -0.413 61.983 62.300 0.160 0.000 0.826 192 V CB 1.102 32.978 31.823 0.087 0.000 1.009 192 V HN 0.961 nan 8.190 nan 0.000 0.431 193 T N 1.822 116.435 114.554 0.098 0.000 2.737 193 T HA -0.018 4.333 4.350 0.002 0.000 0.265 193 T C 0.586 175.270 174.700 -0.027 0.000 1.038 193 T CA 1.346 63.511 62.100 0.109 0.000 1.144 193 T CB -0.174 68.762 68.868 0.113 0.000 0.866 193 T HN 0.784 nan 8.240 nan 0.000 0.434 194 N N -0.470 118.152 118.700 -0.131 0.000 3.265 194 N HA 0.449 5.190 4.740 0.002 0.000 0.235 194 N C -2.128 173.164 175.510 -0.363 0.000 1.343 194 N CA -0.967 51.956 53.050 -0.212 0.000 0.904 194 N CB 0.609 39.012 38.487 -0.140 0.000 1.492 194 N HN 0.244 nan 8.380 nan 0.000 0.504 195 I N 0.018 120.380 120.570 -0.346 0.000 2.439 195 I HA 0.426 4.597 4.170 0.002 0.000 0.283 195 I C -0.672 175.417 176.117 -0.048 0.000 1.023 195 I CA -0.338 60.741 61.300 -0.368 0.000 1.100 195 I CB 1.435 39.094 38.000 -0.569 0.000 1.238 195 I HN 0.473 nan 8.210 nan 0.000 0.445 196 E N 3.598 123.792 120.200 -0.010 0.000 2.393 196 E HA 0.659 5.010 4.350 0.002 0.000 0.273 196 E C -0.846 175.924 176.600 0.282 0.000 0.918 196 E CA -1.186 55.289 56.400 0.125 0.000 0.773 196 E CB 2.511 32.170 29.700 -0.068 0.000 1.275 196 E HN 0.621 nan 8.360 nan 0.000 0.451 197 A N 2.245 125.246 122.820 0.301 0.000 2.444 197 A HA 0.282 4.603 4.320 0.002 0.000 0.287 197 A C -0.607 177.150 177.584 0.289 0.000 1.195 197 A CA 0.526 52.758 52.037 0.324 0.000 0.858 197 A CB -0.178 18.884 19.000 0.104 0.000 1.117 197 A HN 0.484 nan 8.150 nan 0.000 0.521 198 D N 0.613 121.168 120.400 0.257 0.000 2.599 198 D HA 0.415 5.056 4.640 0.002 0.000 0.252 198 D C -0.142 176.286 176.300 0.212 0.000 1.232 198 D CA 0.047 54.149 54.000 0.170 0.000 0.819 198 D CB 0.698 41.540 40.800 0.071 0.000 1.401 198 D HN 0.653 nan 8.370 nan 0.000 0.429 202 T N -0.934 113.623 114.554 0.005 0.000 3.072 202 T HA -0.064 4.287 4.350 0.002 0.000 0.266 202 T C 0.570 175.015 174.700 -0.424 0.000 1.127 202 T CA 0.743 62.712 62.100 -0.218 0.000 1.107 202 T CB -0.535 68.144 68.868 -0.315 0.000 0.910 202 T HN 0.205 nan 8.240 nan 0.000 0.513 203 Y N 1.197 121.544 120.300 0.078 0.000 2.708 203 Y HA 0.464 5.015 4.550 0.002 0.000 0.287 203 Y C 0.669 176.613 175.900 0.074 0.000 1.145 203 Y CA -1.023 57.118 58.100 0.068 0.000 1.249 203 Y CB -0.244 38.260 38.460 0.073 0.000 1.152 203 Y HN 0.213 nan 8.280 nan 0.000 0.532 204 Q N -0.239 119.638 119.800 0.127 0.000 2.461 204 Q HA -0.263 4.078 4.340 0.002 0.000 0.273 204 Q C 1.589 177.667 176.000 0.130 0.000 1.163 204 Q CA 1.361 57.227 55.803 0.105 0.000 0.929 204 Q CB -1.915 26.873 28.738 0.083 0.000 1.334 204 Q HN 0.782 nan 8.270 nan 0.000 0.499 205 G N -0.986 107.914 108.800 0.166 0.000 2.196 205 G HA2 -0.366 3.595 3.960 0.002 0.000 0.268 205 G HA3 -0.366 3.595 3.960 0.002 0.000 0.268 205 G C -0.184 174.826 174.900 0.183 0.000 0.975 205 G CA 0.245 45.445 45.100 0.166 0.000 0.648 205 G HN 0.498 nan 8.290 nan 0.000 0.538 206 D N -0.715 119.801 120.400 0.194 0.000 2.359 206 D HA 0.463 5.104 4.640 0.002 0.000 0.230 206 D C 0.897 177.326 176.300 0.214 0.000 1.118 206 D CA -1.022 53.089 54.000 0.185 0.000 0.844 206 D CB 0.227 41.111 40.800 0.140 0.000 1.059 206 D HN -0.032 nan 8.370 nan 0.000 0.493 207 F N 3.130 123.120 119.950 0.066 0.000 2.451 207 F HA -0.047 4.482 4.527 0.002 0.000 0.299 207 F C 1.824 177.635 175.800 0.018 0.000 1.101 207 F CA 0.925 58.945 58.000 0.034 0.000 1.436 207 F CB 0.390 39.406 39.000 0.027 0.000 1.074 207 F HN 0.401 nan 8.300 nan 0.000 0.553 208 E N 0.300 120.530 120.200 0.049 0.000 2.107 208 E HA -0.137 4.214 4.350 0.002 0.000 0.191 208 E C 1.867 178.433 176.600 -0.057 0.000 0.982 208 E CA 1.072 57.461 56.400 -0.019 0.000 0.809 208 E CB -0.289 29.441 29.700 0.051 0.000 0.756 208 E HN 0.256 nan 8.360 nan 0.000 0.459 209 N N 0.087 118.789 118.700 0.003 0.000 2.223 209 N HA -0.143 4.598 4.740 0.002 0.000 0.185 209 N C 1.585 177.060 175.510 -0.060 0.000 1.016 209 N CA 0.613 53.696 53.050 0.056 0.000 0.863 209 N CB -0.258 38.342 38.487 0.188 0.000 0.983 209 N HN 0.173 nan 8.380 nan 0.000 0.429 210 L N 1.397 122.417 121.223 -0.339 0.000 2.027 210 L HA -0.055 4.286 4.340 0.002 0.000 0.206 210 L C 1.824 178.509 176.870 -0.309 0.000 1.074 210 L CA 1.720 56.132 54.840 -0.714 0.000 0.745 210 L CB -0.350 41.234 42.059 -0.792 0.000 0.898 210 L HN -0.024 nan 8.230 nan 0.000 0.433 211 K N -0.896 119.305 120.400 -0.333 0.000 2.032 211 K HA -0.248 4.073 4.320 0.002 0.000 0.209 211 K C 2.179 178.763 176.600 -0.026 0.000 1.048 211 K CA 1.668 57.852 56.287 -0.170 0.000 0.927 211 K CB -0.234 32.127 32.500 -0.231 0.000 0.712 211 K HN 0.292 nan 8.250 nan 0.000 0.441 212 Q N 0.772 120.546 119.800 -0.043 0.000 2.167 212 Q HA -0.092 4.249 4.340 0.002 0.000 0.202 212 Q C 1.729 177.738 176.000 0.015 0.000 0.970 212 Q CA 1.818 57.619 55.803 -0.004 0.000 0.855 212 Q CB -0.325 28.420 28.738 0.012 0.000 0.911 212 Q HN 0.182 nan 8.270 nan 0.000 0.438 213 T N -0.084 114.482 114.554 0.021 0.000 2.777 213 T HA -0.067 4.285 4.350 0.002 0.000 0.266 213 T C 1.160 175.861 174.700 0.000 0.000 1.040 213 T CA 1.181 63.302 62.100 0.036 0.000 1.141 213 T CB -0.361 68.586 68.868 0.131 0.000 0.868 213 T HN 0.247 nan 8.240 nan 0.000 0.444 214 F N 0.979 120.958 119.950 0.048 0.000 2.171 214 F HA -0.033 4.495 4.527 0.002 0.000 0.300 214 F C 2.173 177.966 175.800 -0.011 0.000 1.090 214 F CA 0.554 58.612 58.000 0.096 0.000 1.293 214 F CB -0.377 38.647 39.000 0.041 0.000 1.013 214 F HN 0.112 nan 8.300 nan 0.000 0.486 215 I N 0.090 120.698 120.570 0.063 0.000 2.202 215 I HA -0.277 3.894 4.170 0.002 0.000 0.242 215 I C 1.987 177.884 176.117 -0.366 0.000 1.091 215 I CA 1.270 62.456 61.300 -0.189 0.000 1.368 215 I CB -1.328 36.568 38.000 -0.173 0.000 1.058 215 I HN 0.150 nan 8.210 nan 0.000 0.410 216 N N 0.798 119.405 118.700 -0.155 0.000 2.166 216 N HA -0.220 4.521 4.740 0.002 0.000 0.186 216 N C 1.801 177.240 175.510 -0.118 0.000 1.019 216 N CA 1.081 54.080 53.050 -0.086 0.000 0.856 216 N CB -0.682 37.789 38.487 -0.027 0.000 0.993 216 N HN 0.296 nan 8.380 nan 0.000 0.426 217 F N 1.619 121.360 119.950 -0.347 0.000 2.051 217 F HA -0.115 4.413 4.527 0.002 0.000 0.296 217 F C 1.869 177.510 175.800 -0.265 0.000 1.122 217 F CA 0.938 58.649 58.000 -0.482 0.000 1.201 217 F CB -0.527 37.920 39.000 -0.921 0.000 0.978 217 F HN -0.121 nan 8.300 nan 0.000 0.472 218 L N 0.575 121.579 121.223 -0.365 0.000 2.129 218 L HA -0.266 4.075 4.340 0.002 0.000 0.212 218 L C 2.411 179.127 176.870 -0.257 0.000 1.087 218 L CA 1.880 56.498 54.840 -0.371 0.000 0.757 218 L CB -1.775 40.178 42.059 -0.176 0.000 0.896 218 L HN 0.361 nan 8.230 nan 0.000 0.434 219 H N -1.576 117.376 119.070 -0.197 0.000 2.546 219 H HA -0.033 4.525 4.556 0.002 0.000 0.277 219 H C 1.543 176.755 175.328 -0.193 0.000 1.004 219 H CA 0.174 56.129 56.048 -0.154 0.000 1.231 219 H CB 0.231 29.936 29.762 -0.095 0.000 1.382 219 H HN 0.363 nan 8.280 nan 0.000 0.580 220 N N 0.620 119.215 118.700 -0.175 0.000 2.381 220 N HA -0.054 4.687 4.740 0.002 0.000 0.182 220 N C 0.224 175.586 175.510 -0.246 0.000 1.025 220 N CA 0.388 53.306 53.050 -0.221 0.000 0.888 220 N CB 0.002 38.309 38.487 -0.300 0.000 0.965 220 N HN 0.293 nan 8.380 nan 0.000 0.438 221 L N 2.612 123.667 121.223 -0.280 0.000 2.490 221 L HA 0.079 4.420 4.340 0.002 0.000 0.274 221 L C -1.703 175.012 176.870 -0.260 0.000 1.201 221 L CA -1.204 53.466 54.840 -0.283 0.000 0.869 221 L CB 0.068 41.974 42.059 -0.254 0.000 1.123 221 L HN 0.010 nan 8.230 nan 0.000 0.484 222 P HA -0.013 nan 4.420 nan 0.000 0.274 222 P C 0.608 177.642 177.300 -0.443 0.000 1.256 222 P CA -0.398 62.431 63.100 -0.452 0.000 0.795 222 P CB 0.396 31.574 31.700 -0.871 0.000 1.038 223 F N 0.109 119.946 119.950 -0.188 0.000 2.236 223 F HA -0.193 4.335 4.527 0.001 0.000 0.302 223 F C 1.655 177.452 175.800 -0.005 0.000 1.073 223 F CA 0.903 58.872 58.000 -0.052 0.000 1.336 223 F CB -1.882 37.144 39.000 0.042 0.000 1.040 223 F HN 0.277 nan 8.300 nan 0.000 0.507 224 Y N -0.160 119.740 120.300 -0.668 0.000 2.485 224 Y HA 0.655 5.206 4.550 0.002 0.000 0.260 224 Y C 1.145 176.917 175.900 -0.212 0.000 1.173 224 Y CA -1.240 56.626 58.100 -0.391 0.000 1.252 224 Y CB -0.985 37.138 38.460 -0.561 0.000 1.123 224 Y HN 0.056 nan 8.280 nan 0.000 0.524 225 G N 1.371 109.875 108.800 -0.492 0.000 2.616 225 G HA2 0.445 4.406 3.960 0.002 0.000 0.268 225 G HA3 0.445 4.406 3.960 0.002 0.000 0.268 225 G C -1.037 173.789 174.900 -0.125 0.000 1.213 225 G CA -0.994 43.916 45.100 -0.315 0.000 0.926 225 G HN 0.381 nan 8.290 nan 0.000 0.523 226 R N -0.790 119.664 120.500 -0.077 0.000 2.628 226 R HA 0.578 4.919 4.340 0.002 0.000 0.288 226 R C -0.714 175.578 176.300 -0.014 0.000 0.980 226 R CA -0.672 55.418 56.100 -0.017 0.000 0.891 226 R CB 1.751 32.071 30.300 0.034 0.000 1.188 226 R HN 0.666 nan 8.270 nan 0.000 0.450 227 A N 3.853 126.675 122.820 0.004 0.000 2.260 227 A HA 0.579 4.900 4.320 0.002 0.000 0.314 227 A C -0.650 176.974 177.584 0.065 0.000 1.257 227 A CA -0.516 51.536 52.037 0.025 0.000 0.871 227 A CB 1.085 20.091 19.000 0.011 0.000 1.166 227 A HN 0.448 nan 8.150 nan 0.000 0.522 231 V N 3.706 123.376 119.914 -0.406 0.000 2.871 231 V HA 0.011 4.132 4.120 0.002 0.000 0.256 231 V C 1.754 177.764 176.094 -0.140 0.000 1.082 231 V CA 2.504 64.681 62.300 -0.205 0.000 1.105 231 V CB -0.053 31.688 31.823 -0.136 0.000 0.713 231 V HN 0.945 nan 8.190 nan 0.000 0.473 232 D N 0.346 120.663 120.400 -0.139 0.000 2.265 232 D HA -0.111 4.530 4.640 0.002 0.000 0.208 232 D C 1.017 177.278 176.300 -0.065 0.000 0.977 232 D CA 0.967 54.930 54.000 -0.060 0.000 0.871 232 D CB -0.248 40.550 40.800 -0.003 0.000 0.925 232 D HN 0.474 nan 8.370 nan 0.000 0.485 233 D N 0.053 120.392 120.400 -0.102 0.000 2.336 233 D HA 0.022 4.663 4.640 0.002 0.000 0.249 233 D C -1.541 174.716 176.300 -0.072 0.000 1.213 233 D CA -1.976 51.972 54.000 -0.086 0.000 0.870 233 D CB 1.700 42.429 40.800 -0.118 0.000 1.076 233 D HN -0.028 nan 8.370 nan 0.000 0.483 234 P HA -0.161 nan 4.420 nan 0.000 0.216 234 P C 1.622 178.908 177.300 -0.024 0.000 1.150 234 P CA 0.550 63.632 63.100 -0.031 0.000 0.837 234 P CB 0.412 32.100 31.700 -0.020 0.000 0.786 235 V N 0.003 119.909 119.914 -0.014 0.000 2.427 235 V HA -0.200 3.921 4.120 0.002 0.000 0.248 235 V C 2.675 178.732 176.094 -0.061 0.000 1.051 235 V CA 1.449 63.751 62.300 0.002 0.000 1.048 235 V CB -0.995 30.868 31.823 0.066 0.000 0.666 235 V HN 0.007 nan 8.190 nan 0.000 0.456 236 I N -0.278 120.232 120.570 -0.101 0.000 2.202 236 I HA -0.217 3.954 4.170 0.002 0.000 0.242 236 I C 2.747 178.812 176.117 -0.086 0.000 1.091 236 I CA 1.569 62.795 61.300 -0.124 0.000 1.368 236 I CB -0.404 37.497 38.000 -0.165 0.000 1.058 236 I HN 0.200 nan 8.210 nan 0.000 0.410 237 R N 0.932 121.388 120.500 -0.073 0.000 2.105 237 R HA -0.236 4.105 4.340 0.002 0.000 0.239 237 R C 2.277 178.557 176.300 -0.034 0.000 1.135 237 R CA 1.647 57.716 56.100 -0.053 0.000 0.967 237 R CB -0.216 30.057 30.300 -0.045 0.000 0.861 237 R HN 0.335 nan 8.270 nan 0.000 0.442 238 E N 0.637 120.820 120.200 -0.028 0.000 2.106 238 E HA -0.165 4.186 4.350 0.002 0.000 0.192 238 E C 1.940 178.530 176.600 -0.017 0.000 0.984 238 E CA 1.003 57.394 56.400 -0.014 0.000 0.806 238 E CB 0.009 29.709 29.700 -0.001 0.000 0.750 238 E HN 0.438 nan 8.360 nan 0.000 0.458 239 L N 0.632 121.836 121.223 -0.032 0.000 2.313 239 L HA -0.073 4.268 4.340 0.002 0.000 0.214 239 L C 2.546 179.401 176.870 -0.024 0.000 1.119 239 L CA 0.058 54.879 54.840 -0.033 0.000 0.809 239 L CB -0.286 41.739 42.059 -0.056 0.000 0.933 239 L HN 0.149 nan 8.230 nan 0.000 0.449 240 L N 0.593 121.800 121.223 -0.026 0.000 2.058 240 L HA -0.261 4.080 4.340 0.002 0.000 0.226 240 L C -0.052 176.819 176.870 0.002 0.000 1.089 240 L CA 1.975 56.806 54.840 -0.015 0.000 0.799 240 L CB -2.323 39.726 42.059 -0.017 0.000 0.900 240 L HN 0.324 nan 8.230 nan 0.000 0.442 241 P HA -0.146 nan 4.420 nan 0.000 0.222 241 P C 1.140 178.458 177.300 0.031 0.000 1.147 241 P CA 1.334 64.444 63.100 0.017 0.000 0.790 241 P CB -0.174 31.534 31.700 0.014 0.000 0.780 242 R N -0.502 120.014 120.500 0.027 0.000 2.299 242 R HA 0.072 4.413 4.340 0.002 0.000 0.197 242 R C 2.053 178.399 176.300 0.076 0.000 0.971 242 R CA 0.301 56.431 56.100 0.048 0.000 1.030 242 R CB -0.551 29.764 30.300 0.026 0.000 0.932 242 R HN 0.141 nan 8.270 nan 0.000 0.477 243 V N 0.507 120.448 119.914 0.044 0.000 2.237 243 V HA -0.092 4.029 4.120 0.002 0.000 0.245 243 V C 1.632 177.834 176.094 0.180 0.000 1.046 243 V CA 2.032 64.355 62.300 0.038 0.000 1.007 243 V CB -0.907 30.920 31.823 0.007 0.000 0.638 243 V HN 0.622 nan 8.190 nan 0.000 0.445 244 G N 0.456 109.333 108.800 0.128 0.000 2.160 244 G HA2 -0.222 3.739 3.960 0.002 0.000 0.244 244 G HA3 -0.222 3.739 3.960 0.002 0.000 0.244 244 G C 0.097 175.050 174.900 0.088 0.000 1.022 244 G CA 0.317 45.483 45.100 0.111 0.000 0.741 244 G HN 0.432 nan 8.290 nan 0.000 0.508 245 R N -0.841 119.702 120.500 0.072 0.000 2.799 245 R HA 0.371 4.712 4.340 0.002 0.000 0.270 245 R C 0.035 176.359 176.300 0.039 0.000 1.010 245 R CA -0.916 55.212 56.100 0.048 0.000 0.916 245 R CB 0.572 30.883 30.300 0.018 0.000 1.228 245 R HN 0.419 nan 8.270 nan 0.000 0.469 246 Q N 1.209 121.031 119.800 0.038 0.000 2.263 246 Q HA 0.122 4.463 4.340 0.002 0.000 0.289 246 Q C 0.165 176.183 176.000 0.030 0.000 1.061 246 Q CA 0.696 56.523 55.803 0.040 0.000 0.927 246 Q CB 0.353 29.120 28.738 0.049 0.000 1.154 246 Q HN 0.584 nan 8.270 nan 0.000 0.378 247 T N -0.609 113.965 114.554 0.033 0.000 2.886 247 T HA 0.527 4.878 4.350 0.002 0.000 0.292 247 T C -0.371 174.353 174.700 0.041 0.000 1.012 247 T CA -0.876 61.245 62.100 0.034 0.000 0.982 247 T CB 1.897 70.779 68.868 0.023 0.000 1.018 247 T HN 0.540 nan 8.240 nan 0.000 0.451 248 T N 0.893 115.480 114.554 0.056 0.000 2.797 248 T HA 0.667 5.018 4.350 0.002 0.000 0.279 248 T C 0.335 175.086 174.700 0.086 0.000 0.991 248 T CA -0.453 61.686 62.100 0.064 0.000 0.979 248 T CB 1.040 69.949 68.868 0.069 0.000 0.943 248 T HN 1.026 nan 8.240 nan 0.000 0.444 249 T N 1.771 116.360 114.554 0.058 0.000 2.918 249 T HA 0.679 5.030 4.350 0.002 0.000 0.283 249 T C -0.577 174.183 174.700 0.100 0.000 1.001 249 T CA -0.739 61.375 62.100 0.024 0.000 1.041 249 T CB 0.704 69.551 68.868 -0.035 0.000 1.028 249 T HN 0.942 nan 8.240 nan 0.000 0.511 250 Y N -1.534 118.747 120.300 -0.033 0.000 2.588 250 Y HA 0.838 5.389 4.550 0.002 0.000 0.343 250 Y C -0.128 175.727 175.900 -0.074 0.000 1.065 250 Y CA -0.728 57.337 58.100 -0.059 0.000 1.038 250 Y CB 1.274 39.694 38.460 -0.066 0.000 1.297 250 Y HN 1.243 nan 8.280 nan 0.000 0.467 251 G N 0.342 109.163 108.800 0.035 0.000 2.369 251 G HA2 0.043 4.004 3.960 0.002 0.000 0.293 251 G HA3 0.043 4.004 3.960 0.002 0.000 0.293 251 G C -1.090 173.725 174.900 -0.142 0.000 1.301 251 G CA -0.613 44.446 45.100 -0.069 0.000 0.913 251 G HN 0.620 nan 8.290 nan 0.000 0.540 252 F N 1.494 121.426 119.950 -0.030 0.000 2.661 252 F HA 0.234 4.762 4.527 0.002 0.000 0.298 252 F C 2.081 177.872 175.800 -0.016 0.000 1.137 252 F CA 0.942 58.928 58.000 -0.023 0.000 1.454 252 F CB 0.218 39.193 39.000 -0.041 0.000 1.103 252 F HN 0.289 nan 8.300 nan 0.000 0.577 253 S N 1.299 117.071 115.700 0.120 0.000 2.566 253 S HA -0.075 4.397 4.470 0.002 0.000 0.280 253 S C 1.576 176.203 174.600 0.046 0.000 1.343 253 S CA -0.138 58.099 58.200 0.062 0.000 1.036 253 S CB 0.568 63.779 63.200 0.018 0.000 0.866 253 S HN 0.384 nan 8.310 nan 0.000 0.526 254 E N 2.377 122.600 120.200 0.038 0.000 2.107 254 E HA -0.183 4.168 4.350 0.002 0.000 0.191 254 E C 0.651 177.263 176.600 0.020 0.000 0.982 254 E CA 1.186 57.605 56.400 0.032 0.000 0.809 254 E CB -0.596 29.121 29.700 0.029 0.000 0.756 254 E HN 0.779 nan 8.360 nan 0.000 0.459 255 D N 1.406 121.814 120.400 0.013 0.000 2.325 255 D HA 0.193 4.834 4.640 0.002 0.000 0.234 255 D C 0.099 176.401 176.300 0.004 0.000 1.122 255 D CA -0.043 53.962 54.000 0.008 0.000 0.850 255 D CB -0.168 40.633 40.800 0.003 0.000 0.921 255 D HN 0.218 nan 8.370 nan 0.000 0.513 256 A N 0.527 123.349 122.820 0.004 0.000 2.327 256 A HA 0.226 4.547 4.320 0.002 0.000 0.283 256 A C 0.895 178.490 177.584 0.018 0.000 1.127 256 A CA -0.573 51.466 52.037 0.003 0.000 0.810 256 A CB 0.738 19.735 19.000 -0.004 0.000 1.066 256 A HN -0.054 nan 8.150 nan 0.000 0.492 257 D N 0.789 121.206 120.400 0.028 0.000 2.123 257 D HA -0.037 4.604 4.640 0.002 0.000 0.200 257 D C 0.220 176.544 176.300 0.039 0.000 0.976 257 D CA 1.504 55.525 54.000 0.035 0.000 0.831 257 D CB 0.022 40.847 40.800 0.041 0.000 0.974 257 D HN 0.232 nan 8.370 nan 0.000 0.469 258 V N 2.013 121.962 119.914 0.059 0.000 2.293 258 V HA 0.223 4.344 4.120 0.002 0.000 0.275 258 V C 0.221 176.335 176.094 0.033 0.000 1.021 258 V CA -0.691 61.637 62.300 0.048 0.000 0.815 258 V CB 1.765 33.620 31.823 0.053 0.000 1.025 258 V HN -0.049 nan 8.190 nan 0.000 0.448 259 R N 3.666 124.168 120.500 0.003 0.000 2.407 259 R HA 0.668 5.009 4.340 0.002 0.000 0.303 259 R C -1.111 175.140 176.300 -0.082 0.000 0.981 259 R CA -0.433 55.646 56.100 -0.035 0.000 0.905 259 R CB 1.822 32.118 30.300 -0.007 0.000 1.099 259 R HN 0.505 nan 8.270 nan 0.000 0.459 260 V N 3.876 123.639 119.914 -0.251 0.000 2.509 260 V HA 0.365 4.486 4.120 0.002 0.000 0.284 260 V C 0.060 176.025 176.094 -0.215 0.000 1.047 260 V CA -0.287 61.780 62.300 -0.389 0.000 0.952 260 V CB 1.424 32.594 31.823 -1.088 0.000 0.988 260 V HN 0.829 nan 8.190 nan 0.000 0.469 261 E N 1.535 121.764 120.200 0.048 0.000 2.408 261 E HA 0.419 4.771 4.350 0.002 0.000 0.275 261 E C -1.156 175.614 176.600 0.284 0.000 0.935 261 E CA -0.843 55.672 56.400 0.191 0.000 0.775 261 E CB 1.866 31.643 29.700 0.129 0.000 1.277 261 E HN 0.761 nan 8.360 nan 0.000 0.455 262 D N 0.475 121.038 120.400 0.272 0.000 2.800 262 D HA -0.250 4.391 4.640 0.002 0.000 0.232 262 D C -0.989 175.476 176.300 0.275 0.000 1.137 262 D CA 0.799 54.930 54.000 0.218 0.000 0.718 262 D CB -1.897 38.986 40.800 0.139 0.000 1.084 262 D HN 0.351 nan 8.370 nan 0.000 0.432 263 Y N 0.705 121.172 120.300 0.279 0.000 2.605 263 Y HA 0.334 4.885 4.550 0.002 0.000 0.336 263 Y C 0.614 176.615 175.900 0.169 0.000 1.111 263 Y CA 0.780 59.050 58.100 0.283 0.000 1.422 263 Y CB 0.102 38.754 38.460 0.319 0.000 1.193 263 Y HN 0.218 nan 8.280 nan 0.000 0.526 264 Q N 5.860 125.368 119.800 -0.487 0.000 2.337 264 Q HA 0.392 4.733 4.340 0.002 0.000 0.270 264 Q C -1.354 174.254 176.000 -0.652 0.000 1.043 264 Q CA -1.024 54.530 55.803 -0.415 0.000 0.794 264 Q CB 1.813 30.447 28.738 -0.172 0.000 1.281 264 Q HN 0.807 nan 8.270 nan 0.000 0.446 265 Q N 1.581 121.136 119.800 -0.407 0.000 2.278 265 Q HA 0.649 4.990 4.340 0.002 0.000 0.257 265 Q C -1.127 174.787 176.000 -0.144 0.000 0.928 265 Q CA -0.407 55.267 55.803 -0.214 0.000 0.932 265 Q CB 0.779 29.521 28.738 0.007 0.000 1.221 265 Q HN 0.770 nan 8.270 nan 0.000 0.434 266 I N 4.850 125.363 120.570 -0.096 0.000 2.390 266 I HA 0.338 4.509 4.170 0.002 0.000 0.283 266 I C 0.902 176.880 176.117 -0.233 0.000 1.016 266 I CA -0.250 60.968 61.300 -0.137 0.000 1.151 266 I CB 1.153 39.113 38.000 -0.067 0.000 1.293 266 I HN 1.025 nan 8.210 nan 0.000 0.458 267 G N 8.389 116.917 108.800 -0.453 0.000 2.651 267 G HA2 -0.268 3.693 3.960 0.002 0.000 0.315 267 G HA3 -0.268 3.693 3.960 0.002 0.000 0.315 267 G C -1.625 172.846 174.900 -0.715 0.000 1.258 267 G CA 0.313 44.941 45.100 -0.787 0.000 1.002 267 G HN 0.507 nan 8.290 nan 0.000 0.551 268 P HA 0.133 nan 4.420 nan 0.000 0.249 268 P C 0.388 177.666 177.300 -0.037 0.000 1.229 268 P CA 0.846 63.945 63.100 -0.003 0.000 0.788 268 P CB 0.260 32.075 31.700 0.192 0.000 1.072 269 Q N -0.103 119.640 119.800 -0.094 0.000 2.306 269 Q HA 0.593 4.934 4.340 0.002 0.000 0.265 269 Q C 0.212 176.129 176.000 -0.138 0.000 1.022 269 Q CA -0.800 54.938 55.803 -0.108 0.000 0.853 269 Q CB 2.161 30.817 28.738 -0.138 0.000 1.327 269 Q HN -0.015 nan 8.270 nan 0.000 0.449 270 G N 1.257 109.969 108.800 -0.147 0.000 2.388 270 G HA2 0.471 4.432 3.960 0.002 0.000 0.330 270 G HA3 0.471 4.432 3.960 0.002 0.000 0.330 270 G C -0.929 173.779 174.900 -0.321 0.000 1.142 270 G CA -0.203 44.856 45.100 -0.067 0.000 0.908 270 G HN 0.513 nan 8.290 nan 0.000 0.473 271 H N 1.088 120.080 119.070 -0.130 0.000 2.589 271 H HA 0.547 5.104 4.556 0.002 0.000 0.351 271 H C -0.812 174.528 175.328 0.019 0.000 1.074 271 H CA -0.191 55.766 56.048 -0.151 0.000 1.203 271 H CB 2.078 31.732 29.762 -0.181 0.000 1.558 271 H HN 0.617 nan 8.280 nan 0.000 0.522 272 F N -1.092 118.881 119.950 0.038 0.000 2.858 272 F HA 0.478 5.006 4.527 0.002 0.000 0.319 272 F C -1.408 174.414 175.800 0.038 0.000 1.166 272 F CA -0.922 57.122 58.000 0.074 0.000 0.899 272 F CB 1.250 40.363 39.000 0.188 0.000 1.332 272 F HN 0.172 nan 8.300 nan 0.000 0.461 273 T N 2.656 117.376 114.554 0.278 0.000 2.841 273 T HA 0.661 5.012 4.350 0.002 0.000 0.283 273 T C -1.508 173.307 174.700 0.193 0.000 1.000 273 T CA -0.443 61.733 62.100 0.126 0.000 0.977 273 T CB 1.548 70.468 68.868 0.086 0.000 0.979 273 T HN 0.514 nan 8.240 nan 0.000 0.446 274 L N 3.806 125.093 121.223 0.107 0.000 2.305 274 L HA 0.546 4.887 4.340 0.002 0.000 0.284 274 L C -0.616 176.276 176.870 0.037 0.000 1.013 274 L CA -0.514 54.378 54.840 0.088 0.000 0.819 274 L CB 1.129 43.240 42.059 0.086 0.000 1.227 274 L HN 0.560 nan 8.230 nan 0.000 0.417 275 L N 5.086 126.326 121.223 0.028 0.000 2.272 275 L HA 0.583 4.924 4.340 0.002 0.000 0.289 275 L C 0.027 176.906 176.870 0.015 0.000 1.032 275 L CA -0.483 54.369 54.840 0.019 0.000 0.810 275 L CB 0.953 43.024 42.059 0.020 0.000 1.205 275 L HN 0.553 nan 8.230 nan 0.000 0.422 276 R N 2.047 122.554 120.500 0.012 0.000 2.807 276 R HA 0.405 4.746 4.340 0.002 0.000 0.276 276 R C -0.914 175.393 176.300 0.011 0.000 0.979 276 R CA -1.000 55.107 56.100 0.012 0.000 0.928 276 R CB 1.860 32.164 30.300 0.007 0.000 1.191 276 R HN 0.505 nan 8.270 nan 0.000 0.471 277 Q N 1.909 121.717 119.800 0.014 0.000 2.315 277 Q HA -0.060 4.281 4.340 0.002 0.000 0.289 277 Q C -0.469 175.537 176.000 0.010 0.000 1.044 277 Q CA 0.810 56.621 55.803 0.014 0.000 0.920 277 Q CB 0.324 29.072 28.738 0.017 0.000 1.214 277 Q HN 0.586 nan 8.270 nan 0.000 0.392 278 D N 1.226 121.632 120.400 0.009 0.000 2.811 278 D HA -0.163 4.479 4.640 0.002 0.000 0.231 278 D C -0.612 175.690 176.300 0.003 0.000 1.157 278 D CA 1.301 55.304 54.000 0.006 0.000 0.716 278 D CB -0.360 40.444 40.800 0.007 0.000 1.077 278 D HN 0.373 nan 8.370 nan 0.000 0.428 279 K N 0.439 120.840 120.400 0.002 0.000 2.498 279 K HA 0.249 4.570 4.320 0.002 0.000 0.254 279 K C 0.215 176.814 176.600 -0.002 0.000 0.933 279 K CA -0.693 55.593 56.287 -0.002 0.000 0.806 279 K CB 2.229 34.727 32.500 -0.003 0.000 1.301 279 K HN -0.126 nan 8.250 nan 0.000 0.432 280 E N 2.403 122.600 120.200 -0.006 0.000 2.413 280 E HA 0.128 4.479 4.350 0.002 0.000 0.263 280 E C -1.901 174.696 176.600 -0.006 0.000 1.015 280 E CA -1.390 55.006 56.400 -0.006 0.000 0.916 280 E CB -0.012 29.682 29.700 -0.010 0.000 0.947 280 E HN 0.271 nan 8.360 nan 0.000 0.440 284 V N 2.171 121.847 119.914 -0.395 0.000 2.427 284 V HA 0.406 4.527 4.120 0.002 0.000 0.286 284 V C 0.358 176.113 176.094 -0.566 0.000 1.034 284 V CA -0.363 61.604 62.300 -0.554 0.000 0.893 284 V CB 1.929 33.199 31.823 -0.921 0.000 0.982 284 V HN 0.611 nan 8.190 nan 0.000 0.452 285 T N 6.761 121.096 114.554 -0.365 0.000 2.743 285 T HA 0.454 4.805 4.350 0.002 0.000 0.292 285 T C -0.391 174.123 174.700 -0.310 0.000 0.972 285 T CA -0.165 61.706 62.100 -0.381 0.000 0.967 285 T CB 0.630 69.375 68.868 -0.206 0.000 0.926 285 T HN 0.411 nan 8.240 nan 0.000 0.459 286 L N 4.094 125.138 121.223 -0.298 0.000 2.296 286 L HA 0.459 4.800 4.340 0.002 0.000 0.286 286 L C 0.274 177.115 176.870 -0.048 0.000 1.023 286 L CA -0.718 54.071 54.840 -0.084 0.000 0.812 286 L CB 1.214 43.350 42.059 0.129 0.000 1.223 286 L HN 0.502 nan 8.230 nan 0.000 0.421 287 N N 3.996 122.719 118.700 0.039 0.000 3.243 287 N HA 0.363 5.104 4.740 0.002 0.000 0.310 287 N C -0.919 174.685 175.510 0.156 0.000 1.313 287 N CA 0.095 53.193 53.050 0.080 0.000 1.204 287 N CB -0.073 38.477 38.487 0.106 0.000 1.483 287 N HN 0.635 nan 8.380 nan 0.000 0.553 288 A N 0.876 123.760 122.820 0.106 0.000 2.555 288 A HA 0.517 4.838 4.320 0.002 0.000 0.297 288 A C -2.959 174.639 177.584 0.023 0.000 1.060 288 A CA -1.075 51.025 52.037 0.106 0.000 0.710 288 A CB 1.511 20.603 19.000 0.153 0.000 1.282 288 A HN 0.168 nan 8.150 nan 0.000 0.399 289 P HA 0.564 nan 4.420 nan 0.000 0.279 289 P C 0.413 177.654 177.300 -0.100 0.000 1.252 289 P CA 1.002 64.046 63.100 -0.093 0.000 0.811 289 P CB 1.317 32.844 31.700 -0.289 0.000 1.035 290 G N 1.292 110.123 108.800 0.052 0.000 2.719 290 G HA2 -0.191 3.770 3.960 0.002 0.000 0.686 290 G HA3 -0.191 3.770 3.960 0.002 0.000 0.686 290 G C 0.647 175.404 174.900 -0.237 0.000 1.201 290 G CA -0.535 44.574 45.100 0.016 0.000 0.768 290 G HN 0.488 nan 8.290 nan 0.000 0.629 291 R N 0.332 120.590 120.500 -0.404 0.000 2.120 291 R HA -0.131 4.210 4.340 0.002 0.000 0.234 291 R C 2.477 178.638 176.300 -0.231 0.000 1.123 291 R CA 1.936 57.666 56.100 -0.617 0.000 0.975 291 R CB -0.324 29.679 30.300 -0.495 0.000 0.866 291 R HN 0.877 nan 8.270 nan 0.000 0.446 292 H N -0.102 118.877 119.070 -0.152 0.000 2.421 292 H HA 0.001 4.558 4.556 0.002 0.000 0.298 292 H C 1.064 176.361 175.328 -0.051 0.000 1.087 292 H CA 1.058 57.071 56.048 -0.058 0.000 1.330 292 H CB -0.319 29.430 29.762 -0.022 0.000 1.388 292 H HN 0.114 nan 8.280 nan 0.000 0.526 293 N N 1.135 119.460 118.700 -0.624 0.000 2.409 293 N HA 0.058 4.799 4.740 0.002 0.000 0.179 293 N C 2.035 177.392 175.510 -0.255 0.000 1.032 293 N CA 1.080 53.894 53.050 -0.392 0.000 0.898 293 N CB -0.121 38.133 38.487 -0.388 0.000 0.971 293 N HN 0.536 nan 8.380 nan 0.000 0.441 294 A N 0.795 123.412 122.820 -0.338 0.000 1.968 294 A HA 0.012 4.334 4.320 0.002 0.000 0.217 294 A C 2.270 179.556 177.584 -0.497 0.000 1.169 294 A CA 0.691 52.353 52.037 -0.626 0.000 0.638 294 A CB -0.461 17.959 19.000 -0.966 0.000 0.812 294 A HN 0.174 nan 8.150 nan 0.000 0.446 295 L N -0.289 120.772 121.223 -0.269 0.000 2.027 295 L HA -0.172 4.170 4.340 0.002 0.000 0.206 295 L C 2.269 179.061 176.870 -0.129 0.000 1.074 295 L CA 1.100 55.892 54.840 -0.081 0.000 0.745 295 L CB -0.657 41.478 42.059 0.127 0.000 0.898 295 L HN 0.325 nan 8.230 nan 0.000 0.433 296 N N 0.558 119.188 118.700 -0.116 0.000 2.104 296 N HA -0.182 4.559 4.740 0.002 0.000 0.190 296 N C 1.868 177.235 175.510 -0.237 0.000 1.024 296 N CA 1.631 54.594 53.050 -0.145 0.000 0.853 296 N CB -0.422 38.007 38.487 -0.096 0.000 1.008 296 N HN 0.330 nan 8.380 nan 0.000 0.424 297 A N 1.073 123.765 122.820 -0.214 0.000 1.877 297 A HA 0.002 4.323 4.320 0.002 0.000 0.216 297 A C 2.401 179.871 177.584 -0.189 0.000 1.186 297 A CA 2.103 54.042 52.037 -0.164 0.000 0.620 297 A CB -1.015 17.992 19.000 0.013 0.000 0.822 297 A HN 0.320 nan 8.150 nan 0.000 0.443 298 A N -0.082 122.585 122.820 -0.254 0.000 1.917 298 A HA 0.065 4.386 4.320 0.002 0.000 0.219 298 A C 2.527 179.784 177.584 -0.545 0.000 1.182 298 A CA 2.451 54.300 52.037 -0.312 0.000 0.633 298 A CB -1.132 17.695 19.000 -0.288 0.000 0.819 298 A HN 1.147 nan 8.150 nan 0.000 0.448 299 A N -0.131 122.136 122.820 -0.922 0.000 1.865 299 A HA 0.079 4.400 4.320 0.002 0.000 0.217 299 A C 2.561 179.944 177.584 -0.335 0.000 1.191 299 A CA 2.517 54.037 52.037 -0.862 0.000 0.623 299 A CB -1.202 17.377 19.000 -0.703 0.000 0.826 299 A HN 1.195 nan 8.150 nan 0.000 0.444 300 A N -0.793 121.879 122.820 -0.247 0.000 1.908 300 A HA -0.018 4.303 4.320 0.002 0.000 0.218 300 A C 2.258 179.795 177.584 -0.078 0.000 1.181 300 A CA 1.913 53.874 52.037 -0.126 0.000 0.627 300 A CB -0.943 17.973 19.000 -0.141 0.000 0.818 300 A HN 0.420 nan 8.150 nan 0.000 0.445 301 V N -0.230 119.618 119.914 -0.110 0.000 2.307 301 V HA -0.223 3.898 4.120 0.002 0.000 0.245 301 V C 3.070 179.135 176.094 -0.048 0.000 1.045 301 V CA 1.809 64.068 62.300 -0.069 0.000 1.024 301 V CB -1.273 30.515 31.823 -0.058 0.000 0.651 301 V HN 0.627 nan 8.190 nan 0.000 0.449 302 A N -0.086 122.692 122.820 -0.070 0.000 1.892 302 A HA -0.217 4.104 4.320 0.002 0.000 0.218 302 A C 2.407 180.002 177.584 0.019 0.000 1.188 302 A CA 2.474 54.498 52.037 -0.022 0.000 0.631 302 A CB -0.813 18.174 19.000 -0.022 0.000 0.822 302 A HN 0.344 nan 8.150 nan 0.000 0.447 303 V N -0.371 119.561 119.914 0.029 0.000 2.270 303 V HA -0.226 3.895 4.120 0.002 0.000 0.245 303 V C 3.080 179.251 176.094 0.128 0.000 1.043 303 V CA 1.987 64.347 62.300 0.100 0.000 1.014 303 V CB -1.310 30.582 31.823 0.116 0.000 0.645 303 V HN 0.646 nan 8.190 nan 0.000 0.447 304 A N 0.438 123.313 122.820 0.092 0.000 1.908 304 A HA -0.282 4.039 4.320 0.002 0.000 0.218 304 A C 2.522 180.077 177.584 -0.048 0.000 1.181 304 A CA 2.842 54.876 52.037 -0.006 0.000 0.627 304 A CB -1.039 17.929 19.000 -0.053 0.000 0.818 304 A HN 0.627 nan 8.150 nan 0.000 0.445 305 T N -1.617 112.925 114.554 -0.020 0.000 2.904 305 T HA -0.121 4.230 4.350 0.002 0.000 0.267 305 T C 1.718 176.420 174.700 0.004 0.000 1.059 305 T CA 1.714 63.802 62.100 -0.020 0.000 1.137 305 T CB -0.249 68.610 68.868 -0.015 0.000 0.879 305 T HN 0.538 nan 8.240 nan 0.000 0.467 306 E N 1.472 121.692 120.200 0.033 0.000 2.077 306 E HA -0.187 4.164 4.350 0.002 0.000 0.193 306 E C 2.124 178.763 176.600 0.065 0.000 0.989 306 E CA 1.722 58.157 56.400 0.058 0.000 0.800 306 E CB -0.569 29.182 29.700 0.085 0.000 0.746 306 E HN 0.622 nan 8.360 nan 0.000 0.452 307 E N -0.104 120.133 120.200 0.062 0.000 2.268 307 E HA -0.040 4.311 4.350 0.002 0.000 0.195 307 E C 1.066 177.650 176.600 -0.027 0.000 0.995 307 E CA 1.194 57.615 56.400 0.035 0.000 0.836 307 E CB -0.385 29.302 29.700 -0.022 0.000 0.763 307 E HN 0.439 nan 8.360 nan 0.000 0.491 308 G N 0.186 108.962 108.800 -0.039 0.000 2.149 308 G HA2 -0.271 3.690 3.960 0.002 0.000 0.235 308 G HA3 -0.271 3.690 3.960 0.002 0.000 0.235 308 G C 0.169 175.015 174.900 -0.090 0.000 1.018 308 G CA 0.192 45.263 45.100 -0.047 0.000 0.728 308 G HN 0.283 nan 8.290 nan 0.000 0.508 309 I N 0.892 121.375 120.570 -0.145 0.000 2.648 309 I HA 0.112 4.283 4.170 0.002 0.000 0.284 309 I C 0.955 176.999 176.117 -0.121 0.000 1.153 309 I CA -0.153 61.035 61.300 -0.188 0.000 1.426 309 I CB 0.533 38.355 38.000 -0.296 0.000 1.381 309 I HN 0.313 nan 8.210 nan 0.000 0.571 310 D N 4.988 125.323 120.400 -0.107 0.000 2.450 310 D HA -0.079 4.562 4.640 0.002 0.000 0.247 310 D C 0.734 176.990 176.300 -0.074 0.000 1.162 310 D CA 0.101 54.055 54.000 -0.076 0.000 0.879 310 D CB 0.785 41.546 40.800 -0.065 0.000 1.163 310 D HN 0.361 nan 8.370 nan 0.000 0.472 311 D N 3.189 123.553 120.400 -0.060 0.000 2.182 311 D HA -0.168 4.473 4.640 0.002 0.000 0.201 311 D C 1.951 178.217 176.300 -0.057 0.000 0.986 311 D CA 1.896 55.862 54.000 -0.057 0.000 0.847 311 D CB -0.275 40.497 40.800 -0.047 0.000 0.942 311 D HN 0.753 nan 8.370 nan 0.000 0.467 312 E N 0.768 120.937 120.200 -0.051 0.000 2.077 312 E HA -0.068 4.283 4.350 0.002 0.000 0.193 312 E C 2.137 178.708 176.600 -0.049 0.000 0.989 312 E CA 1.597 57.969 56.400 -0.047 0.000 0.800 312 E CB -0.928 28.748 29.700 -0.039 0.000 0.746 312 E HN 0.336 nan 8.360 nan 0.000 0.452 313 A N 0.580 123.367 122.820 -0.055 0.000 1.902 313 A HA -0.022 4.299 4.320 0.002 0.000 0.217 313 A C 2.517 180.065 177.584 -0.061 0.000 1.181 313 A CA 1.555 53.557 52.037 -0.058 0.000 0.623 313 A CB -0.469 18.485 19.000 -0.076 0.000 0.818 313 A HN 0.524 nan 8.150 nan 0.000 0.443 314 I N -0.548 119.979 120.570 -0.073 0.000 2.118 314 I HA -0.313 3.858 4.170 0.002 0.000 0.241 314 I C 2.446 178.524 176.117 -0.066 0.000 1.070 314 I CA 1.509 62.766 61.300 -0.072 0.000 1.327 314 I CB -0.375 37.580 38.000 -0.075 0.000 1.034 314 I HN 0.299 nan 8.210 nan 0.000 0.405 315 L N -0.227 120.957 121.223 -0.066 0.000 2.093 315 L HA -0.175 4.166 4.340 0.002 0.000 0.208 315 L C 2.726 179.563 176.870 -0.054 0.000 1.085 315 L CA 1.069 55.865 54.840 -0.072 0.000 0.755 315 L CB -0.415 41.600 42.059 -0.075 0.000 0.904 315 L HN 0.095 nan 8.230 nan 0.000 0.435 316 R N -0.020 120.456 120.500 -0.040 0.000 2.080 316 R HA -0.181 4.160 4.340 0.002 0.000 0.236 316 R C 2.365 178.662 176.300 -0.004 0.000 1.137 316 R CA 1.803 57.890 56.100 -0.022 0.000 0.943 316 R CB -0.667 29.622 30.300 -0.018 0.000 0.846 316 R HN 0.383 nan 8.270 nan 0.000 0.431 317 A N 0.247 123.065 122.820 -0.004 0.000 1.902 317 A HA -0.113 4.208 4.320 0.002 0.000 0.217 317 A C 2.157 179.770 177.584 0.049 0.000 1.181 317 A CA 1.241 53.296 52.037 0.029 0.000 0.623 317 A CB -0.587 18.422 19.000 0.015 0.000 0.818 317 A HN 0.259 nan 8.150 nan 0.000 0.443 318 L N -0.880 120.335 121.223 -0.013 0.000 2.083 318 L HA -0.191 4.150 4.340 0.002 0.000 0.209 318 L C 2.663 179.542 176.870 0.015 0.000 1.083 318 L CA 1.868 56.688 54.840 -0.034 0.000 0.752 318 L CB -0.504 41.503 42.059 -0.087 0.000 0.899 318 L HN 0.649 nan 8.230 nan 0.000 0.433 319 E N 0.389 120.584 120.200 -0.008 0.000 2.107 319 E HA -0.183 4.168 4.350 0.002 0.000 0.191 319 E C 1.792 178.412 176.600 0.033 0.000 0.982 319 E CA 1.347 57.740 56.400 -0.012 0.000 0.809 319 E CB 0.149 29.828 29.700 -0.035 0.000 0.756 319 E HN 0.428 nan 8.360 nan 0.000 0.459 320 S N -0.210 115.524 115.700 0.056 0.000 2.582 320 S HA 0.102 4.573 4.470 0.002 0.000 0.234 320 S C 0.180 174.838 174.600 0.096 0.000 0.961 320 S CA -0.803 57.431 58.200 0.057 0.000 0.953 320 S CB -0.388 62.833 63.200 0.034 0.000 0.800 320 S HN 0.254 nan 8.310 nan 0.000 0.471 321 F N 3.218 123.157 119.950 -0.018 0.000 2.602 321 F HA 0.198 4.726 4.527 0.002 0.000 0.385 321 F C 1.252 177.054 175.800 0.002 0.000 1.063 321 F CA 0.032 58.023 58.000 -0.014 0.000 1.233 321 F CB 0.544 39.535 39.000 -0.016 0.000 1.067 321 F HN 0.206 nan 8.300 nan 0.000 0.564 322 Q N 4.547 123.951 119.800 -0.660 0.000 2.282 322 Q HA 0.271 4.612 4.340 0.002 0.000 0.206 322 Q C 1.074 176.711 176.000 -0.604 0.000 0.878 322 Q CA 0.220 55.748 55.803 -0.459 0.000 0.944 322 Q CB 0.319 28.900 28.738 -0.261 0.000 1.100 322 Q HN 1.095 nan 8.270 nan 0.000 0.509 323 G N 1.551 109.564 108.800 -1.310 0.000 2.693 323 G HA2 -0.262 3.700 3.960 0.002 0.000 0.226 323 G HA3 -0.262 3.700 3.960 0.002 0.000 0.226 323 G C -0.142 174.531 174.900 -0.379 0.000 1.354 323 G CA -0.205 44.455 45.100 -0.732 0.000 0.873 323 G HN 0.300 nan 8.290 nan 0.000 0.562 324 T N -2.423 112.069 114.554 -0.104 0.000 2.900 324 T HA 0.752 5.103 4.350 0.002 0.000 0.295 324 T C 0.716 175.399 174.700 -0.027 0.000 1.044 324 T CA 0.580 62.643 62.100 -0.062 0.000 0.995 324 T CB 1.719 70.584 68.868 -0.005 0.000 1.072 324 T HN 2.286 nan 8.240 nan 0.000 0.473 325 G N 1.922 110.687 108.800 -0.059 0.000 2.224 325 G HA2 0.287 4.249 3.960 0.002 0.000 0.239 325 G HA3 0.287 4.249 3.960 0.002 0.000 0.239 325 G C 0.726 175.633 174.900 0.012 0.000 1.240 325 G CA -0.457 44.625 45.100 -0.030 0.000 0.896 325 G HN 0.968 nan 8.290 nan 0.000 0.496 326 R N 0.080 120.613 120.500 0.054 0.000 3.878 326 R HA -0.159 4.182 4.340 0.002 0.000 0.330 326 R C -0.149 176.249 176.300 0.163 0.000 1.186 326 R CA 0.946 57.114 56.100 0.113 0.000 0.885 326 R CB -1.358 29.042 30.300 0.167 0.000 1.377 326 R HN 0.496 nan 8.270 nan 0.000 0.523 327 R N 0.350 120.942 120.500 0.154 0.000 2.358 327 R HA 0.269 4.610 4.340 0.002 0.000 0.309 327 R C -0.231 176.257 176.300 0.314 0.000 1.026 327 R CA -0.765 55.473 56.100 0.230 0.000 0.909 327 R CB 0.088 30.511 30.300 0.205 0.000 1.153 327 R HN 0.199 nan 8.270 nan 0.000 0.515 328 F N 1.414 121.466 119.950 0.171 0.000 2.729 328 F HA -0.321 4.207 4.527 0.002 0.000 0.208 328 F C -0.228 175.664 175.800 0.153 0.000 1.040 328 F CA 0.778 58.879 58.000 0.169 0.000 0.844 328 F CB -0.321 38.805 39.000 0.210 0.000 0.704 328 F HN 0.470 nan 8.300 nan 0.000 0.849 329 D N 2.548 123.000 120.400 0.088 0.000 2.380 329 D HA 0.082 4.723 4.640 0.002 0.000 0.230 329 D C -0.333 176.008 176.300 0.069 0.000 1.154 329 D CA -0.285 53.775 54.000 0.099 0.000 0.859 329 D CB 0.204 41.038 40.800 0.057 0.000 1.045 329 D HN 0.142 nan 8.370 nan 0.000 0.495 330 F N 4.517 124.454 119.950 -0.021 0.000 2.541 330 F HA 0.052 4.580 4.527 0.002 0.000 0.378 330 F C 0.347 176.117 175.800 -0.051 0.000 1.068 330 F CA -0.327 57.636 58.000 -0.061 0.000 1.199 330 F CB 0.613 39.606 39.000 -0.012 0.000 1.091 330 F HN 0.308 nan 8.300 nan 0.000 0.555 331 L N 4.860 125.721 121.223 -0.603 0.000 2.638 331 L HA 0.485 4.827 4.340 0.002 0.000 0.232 331 L C 0.876 177.312 176.870 -0.724 0.000 1.099 331 L CA 0.606 55.168 54.840 -0.463 0.000 0.883 331 L CB -0.416 41.531 42.059 -0.186 0.000 1.136 331 L HN 0.851 nan 8.230 nan 0.000 0.492 332 G N -0.433 107.452 108.800 -1.526 0.000 2.359 332 G HA2 0.139 4.100 3.960 0.002 0.000 0.314 332 G HA3 0.139 4.100 3.960 0.002 0.000 0.314 332 G C -1.368 172.858 174.900 -1.124 0.000 1.364 332 G CA -0.795 43.451 45.100 -1.422 0.000 0.978 332 G HN -0.078 nan 8.290 nan 0.000 0.615 333 E N -0.290 119.411 120.200 -0.831 0.000 2.216 333 E HA 0.669 5.020 4.350 0.002 0.000 0.260 333 E C -1.302 174.958 176.600 -0.566 0.000 0.880 333 E CA -0.751 55.386 56.400 -0.438 0.000 0.765 333 E CB 0.872 30.556 29.700 -0.027 0.000 1.174 333 E HN 0.318 nan 8.360 nan 0.000 0.417 334 F N 4.533 124.474 119.950 -0.016 0.000 2.480 334 F HA 0.459 4.987 4.527 0.002 0.000 0.329 334 F C -2.055 173.741 175.800 -0.005 0.000 1.091 334 F CA -2.621 55.367 58.000 -0.020 0.000 0.972 334 F CB 1.375 40.350 39.000 -0.041 0.000 1.150 334 F HN 0.339 nan 8.300 nan 0.000 0.467 335 P HA 0.138 nan 4.420 nan 0.000 0.275 335 P C 0.237 177.592 177.300 0.091 0.000 1.227 335 P CA -0.256 62.907 63.100 0.104 0.000 0.781 335 P CB 0.960 32.708 31.700 0.079 0.000 0.906 336 L N 2.049 123.310 121.223 0.063 0.000 2.492 336 L HA -0.040 4.301 4.340 0.002 0.000 0.223 336 L C 2.012 178.899 176.870 0.028 0.000 1.132 336 L CA 1.223 56.089 54.840 0.044 0.000 0.850 336 L CB -1.039 41.042 42.059 0.037 0.000 0.966 336 L HN 0.347 nan 8.230 nan 0.000 0.454 337 E N 0.703 120.921 120.200 0.029 0.000 2.065 337 E HA -0.210 4.141 4.350 0.002 0.000 0.201 337 E C -0.670 175.937 176.600 0.012 0.000 1.016 337 E CA 1.664 58.076 56.400 0.020 0.000 0.818 337 E CB -1.842 27.871 29.700 0.022 0.000 0.749 337 E HN 0.439 nan 8.360 nan 0.000 0.453 338 P HA 0.095 nan 4.420 nan 0.000 0.261 338 P C 1.119 178.411 177.300 -0.013 0.000 1.352 338 P CA 0.292 63.391 63.100 -0.001 0.000 0.891 338 P CB 0.443 32.141 31.700 -0.002 0.000 1.383 339 V N 0.286 120.195 119.914 -0.009 0.000 2.911 339 V HA 0.207 4.328 4.120 0.002 0.000 0.237 339 V C 0.570 176.656 176.094 -0.013 0.000 1.156 339 V CA 1.444 63.731 62.300 -0.020 0.000 1.180 339 V CB -0.167 31.640 31.823 -0.027 0.000 0.932 339 V HN 0.168 nan 8.190 nan 0.000 0.483 340 N N -0.737 117.961 118.700 -0.003 0.000 2.390 340 N HA 0.338 5.079 4.740 0.002 0.000 0.259 340 N C 0.981 176.492 175.510 0.003 0.000 1.395 340 N CA 0.688 53.737 53.050 -0.001 0.000 0.852 340 N CB 0.635 39.122 38.487 -0.000 0.000 1.371 340 N HN 0.719 nan 8.380 nan 0.000 0.491 341 G N 1.167 109.970 108.800 0.004 0.000 3.078 341 G HA2 -0.413 3.549 3.960 0.002 0.000 0.227 341 G HA3 -0.413 3.549 3.960 0.002 0.000 0.227 341 G C 0.072 174.979 174.900 0.011 0.000 1.306 341 G CA 0.565 45.669 45.100 0.006 0.000 0.841 341 G HN 0.543 nan 8.290 nan 0.000 0.530 342 K N 1.745 122.152 120.400 0.012 0.000 2.505 342 K HA 0.323 4.644 4.320 0.002 0.000 0.272 342 K C 1.166 177.777 176.600 0.019 0.000 0.963 342 K CA 0.782 57.078 56.287 0.015 0.000 0.932 342 K CB 0.217 32.727 32.500 0.016 0.000 0.924 342 K HN 0.775 nan 8.250 nan 0.000 0.520 343 S N -0.005 115.708 115.700 0.020 0.000 2.672 343 S HA 0.734 5.205 4.470 0.002 0.000 0.276 343 S C 0.488 175.104 174.600 0.028 0.000 1.207 343 S CA -0.181 58.033 58.200 0.024 0.000 1.002 343 S CB 1.519 64.732 63.200 0.021 0.000 0.998 343 S HN 1.017 nan 8.310 nan 0.000 0.542 344 G N 0.335 109.154 108.800 0.032 0.000 2.582 344 G HA2 0.248 4.209 3.960 0.002 0.000 0.222 344 G HA3 0.248 4.209 3.960 0.002 0.000 0.222 344 G C -0.262 174.664 174.900 0.043 0.000 1.311 344 G CA -0.201 44.921 45.100 0.036 0.000 0.915 344 G HN 2.078 nan 8.290 nan 0.000 0.528 345 T N -2.345 112.236 114.554 0.045 0.000 2.901 345 T HA 1.036 5.387 4.350 0.002 0.000 0.293 345 T C 0.126 174.858 174.700 0.053 0.000 1.084 345 T CA 0.570 62.703 62.100 0.054 0.000 1.008 345 T CB 1.800 70.694 68.868 0.042 0.000 1.170 345 T HN 2.517 nan 8.240 nan 0.000 0.509 349 V N 3.317 123.138 119.914 -0.156 0.000 2.487 349 V HA 0.563 4.684 4.120 0.002 0.000 0.298 349 V C -0.737 175.236 176.094 -0.201 0.000 1.028 349 V CA -0.522 61.631 62.300 -0.245 0.000 0.860 349 V CB 1.862 33.347 31.823 -0.563 0.000 0.991 349 V HN 0.741 nan 8.190 nan 0.000 0.427 350 D N 2.988 123.305 120.400 -0.138 0.000 2.177 350 D HA 0.551 5.192 4.640 0.002 0.000 0.247 350 D C -1.040 175.249 176.300 -0.017 0.000 1.063 350 D CA 0.019 53.985 54.000 -0.057 0.000 0.867 350 D CB 1.807 42.595 40.800 -0.021 0.000 1.168 350 D HN 0.725 nan 8.370 nan 0.000 0.445 351 D N 1.981 122.404 120.400 0.039 0.000 2.990 351 D HA 0.105 4.746 4.640 0.002 0.000 0.227 351 D C -0.402 176.011 176.300 0.190 0.000 1.249 351 D CA -0.553 53.526 54.000 0.133 0.000 0.891 351 D CB 0.780 41.659 40.800 0.133 0.000 1.647 351 D HN 0.286 nan 8.370 nan 0.000 0.530 352 Y N 2.825 123.195 120.300 0.117 0.000 2.457 352 Y HA 0.238 4.789 4.550 0.002 0.000 0.292 352 Y C 1.358 177.395 175.900 0.227 0.000 1.125 352 Y CA 0.954 59.134 58.100 0.134 0.000 1.254 352 Y CB 0.047 38.588 38.460 0.136 0.000 1.012 352 Y HN 0.523 nan 8.280 nan 0.000 0.555 353 G N 0.844 109.814 108.800 0.283 0.000 2.138 353 G HA2 -0.129 3.832 3.960 0.002 0.000 0.244 353 G HA3 -0.129 3.832 3.960 0.002 0.000 0.244 353 G C 0.404 175.433 174.900 0.216 0.000 1.166 353 G CA 0.638 45.855 45.100 0.195 0.000 0.902 353 G HN 0.734 nan 8.290 nan 0.000 0.460 354 H N 0.811 119.966 119.070 0.142 0.000 3.622 354 H HA 0.162 4.719 4.556 0.002 0.000 0.259 354 H C 0.063 175.608 175.328 0.363 0.000 1.145 354 H CA -0.271 55.905 56.048 0.214 0.000 1.178 354 H CB 0.314 30.077 29.762 0.001 0.000 1.542 354 H HN 0.609 nan 8.280 nan 0.000 0.586 355 H N 2.558 121.476 119.070 -0.254 0.000 2.463 355 H HA 0.195 4.753 4.556 0.002 0.000 0.332 355 H C -1.941 173.199 175.328 -0.314 0.000 1.127 355 H CA -1.798 54.102 56.048 -0.247 0.000 1.238 355 H CB 2.710 32.252 29.762 -0.365 0.000 1.478 355 H HN -0.111 nan 8.280 nan 0.000 0.499 356 P HA -0.180 nan 4.420 nan 0.000 0.218 356 P C 1.299 178.429 177.300 -0.283 0.000 1.154 356 P CA 2.026 64.772 63.100 -0.590 0.000 0.872 356 P CB 0.174 31.387 31.700 -0.810 0.000 0.790 357 T N -0.575 113.908 114.554 -0.118 0.000 2.684 357 T HA -0.188 4.163 4.350 0.002 0.000 0.267 357 T C 1.642 176.186 174.700 -0.260 0.000 1.036 357 T CA 1.490 63.504 62.100 -0.144 0.000 1.148 357 T CB -0.746 68.060 68.868 -0.104 0.000 0.863 357 T HN 0.343 nan 8.240 nan 0.000 0.436 358 E N 0.363 120.351 120.200 -0.353 0.000 2.051 358 E HA -0.106 4.245 4.350 0.002 0.000 0.192 358 E C 2.419 178.931 176.600 -0.146 0.000 0.991 358 E CA 1.135 57.374 56.400 -0.269 0.000 0.799 358 E CB -0.272 29.284 29.700 -0.241 0.000 0.748 358 E HN 0.251 nan 8.360 nan 0.000 0.449 359 V N 1.460 121.309 119.914 -0.109 0.000 2.343 359 V HA -0.269 3.852 4.120 0.002 0.000 0.247 359 V C 2.034 178.073 176.094 -0.091 0.000 1.051 359 V CA 2.137 64.395 62.300 -0.071 0.000 1.036 359 V CB -0.546 31.206 31.823 -0.119 0.000 0.654 359 V HN 0.277 nan 8.190 nan 0.000 0.451 360 D N 0.299 120.619 120.400 -0.133 0.000 2.144 360 D HA -0.142 4.500 4.640 0.002 0.000 0.199 360 D C 2.102 178.336 176.300 -0.109 0.000 0.984 360 D CA 1.459 55.390 54.000 -0.115 0.000 0.834 360 D CB -0.137 40.586 40.800 -0.129 0.000 0.955 360 D HN 0.382 nan 8.370 nan 0.000 0.465 361 A N -0.708 122.000 122.820 -0.187 0.000 1.930 361 A HA -0.124 4.197 4.320 0.002 0.000 0.217 361 A C 2.345 179.830 177.584 -0.165 0.000 1.175 361 A CA 2.042 53.888 52.037 -0.318 0.000 0.627 361 A CB -0.944 17.613 19.000 -0.737 0.000 0.815 361 A HN 0.307 nan 8.150 nan 0.000 0.443 362 T N 0.345 114.886 114.554 -0.023 0.000 2.746 362 T HA -0.085 4.266 4.350 0.002 0.000 0.267 362 T C 1.793 176.656 174.700 0.270 0.000 1.039 362 T CA 1.507 63.753 62.100 0.244 0.000 1.142 362 T CB -0.395 68.624 68.868 0.251 0.000 0.866 362 T HN 0.420 nan 8.240 nan 0.000 0.444 363 I N 0.792 121.438 120.570 0.126 0.000 2.142 363 I HA -0.180 3.991 4.170 0.002 0.000 0.240 363 I C 2.603 178.794 176.117 0.123 0.000 1.078 363 I CA 1.191 62.559 61.300 0.112 0.000 1.343 363 I CB -0.269 37.751 38.000 0.034 0.000 1.046 363 I HN 0.076 nan 8.210 nan 0.000 0.405 364 K N 0.887 121.329 120.400 0.069 0.000 2.113 364 K HA -0.182 4.139 4.320 0.002 0.000 0.208 364 K C 2.168 178.834 176.600 0.110 0.000 1.047 364 K CA 1.690 58.015 56.287 0.063 0.000 0.928 364 K CB -0.485 32.024 32.500 0.014 0.000 0.716 364 K HN 0.381 nan 8.250 nan 0.000 0.446 365 A N 1.436 124.336 122.820 0.134 0.000 1.897 365 A HA -0.011 4.310 4.320 0.002 0.000 0.215 365 A C 2.448 180.192 177.584 0.266 0.000 1.181 365 A CA 1.722 53.821 52.037 0.103 0.000 0.620 365 A CB -0.510 18.437 19.000 -0.088 0.000 0.821 365 A HN 0.299 nan 8.150 nan 0.000 0.443 366 A N -0.234 122.852 122.820 0.443 0.000 1.858 366 A HA -0.155 4.166 4.320 0.002 0.000 0.216 366 A C 2.181 180.041 177.584 0.460 0.000 1.190 366 A CA 2.004 54.397 52.037 0.593 0.000 0.617 366 A CB -0.484 18.767 19.000 0.417 0.000 0.827 366 A HN 0.415 nan 8.150 nan 0.000 0.443 367 R N -0.265 120.398 120.500 0.271 0.000 2.097 367 R HA -0.146 4.195 4.340 0.002 0.000 0.236 367 R C 2.363 178.753 176.300 0.151 0.000 1.135 367 R CA 2.034 58.244 56.100 0.184 0.000 0.934 367 R CB -0.805 29.564 30.300 0.115 0.000 0.846 367 R HN 0.508 nan 8.270 nan 0.000 0.431 368 A N -1.077 121.812 122.820 0.116 0.000 1.929 368 A HA 0.021 4.342 4.320 0.002 0.000 0.216 368 A C 2.195 179.741 177.584 -0.063 0.000 1.176 368 A CA 1.589 53.651 52.037 0.042 0.000 0.628 368 A CB -0.803 18.234 19.000 0.061 0.000 0.816 368 A HN 0.490 nan 8.150 nan 0.000 0.444 369 G N -2.875 105.852 108.800 -0.122 0.000 2.683 369 G HA2 0.139 4.100 3.960 0.002 0.000 0.213 369 G HA3 0.139 4.100 3.960 0.002 0.000 0.213 369 G C 0.327 174.683 174.900 -0.907 0.000 1.142 369 G CA 0.039 44.733 45.100 -0.677 0.000 0.793 369 G HN 0.511 nan 8.290 nan 0.000 0.534 370 W N -0.049 121.288 121.300 0.062 0.000 1.851 370 W HA 0.298 4.959 4.660 0.002 0.000 0.303 370 W C -2.435 174.115 176.519 0.052 0.000 0.969 370 W CA -1.352 56.026 57.345 0.056 0.000 1.537 370 W CB 1.200 30.703 29.460 0.073 0.000 1.682 370 W HN 0.061 nan 8.180 nan 0.000 0.367 371 P HA -0.125 nan 4.420 nan 0.000 0.218 371 P C 1.007 178.375 177.300 0.113 0.000 1.149 371 P CA 1.662 64.831 63.100 0.115 0.000 0.817 371 P CB 0.479 32.212 31.700 0.055 0.000 0.785 372 D N -1.301 119.170 120.400 0.117 0.000 2.339 372 D HA 0.042 4.683 4.640 0.002 0.000 0.217 372 D C 0.524 176.884 176.300 0.100 0.000 1.050 372 D CA 0.378 54.433 54.000 0.092 0.000 0.856 372 D CB 0.147 40.991 40.800 0.073 0.000 0.922 372 D HN 0.240 nan 8.370 nan 0.000 0.518 373 K N 1.278 121.759 120.400 0.136 0.000 2.168 373 K HA 0.121 4.442 4.320 0.002 0.000 0.258 373 K C 0.270 176.919 176.600 0.082 0.000 1.010 373 K CA -0.538 55.815 56.287 0.110 0.000 0.929 373 K CB 0.691 33.264 32.500 0.123 0.000 0.998 373 K HN -0.145 nan 8.250 nan 0.000 0.479 374 N N 2.231 120.965 118.700 0.058 0.000 2.401 374 N HA 0.052 4.793 4.740 0.002 0.000 0.255 374 N C -0.986 174.548 175.510 0.040 0.000 1.110 374 N CA -0.107 52.970 53.050 0.045 0.000 0.949 374 N CB 0.278 38.785 38.487 0.035 0.000 1.110 374 N HN 0.440 nan 8.380 nan 0.000 0.490 375 L N 4.919 126.169 121.223 0.045 0.000 2.283 375 L HA 0.340 4.681 4.340 0.002 0.000 0.287 375 L C -0.554 176.332 176.870 0.026 0.000 1.073 375 L CA -0.468 54.397 54.840 0.041 0.000 0.822 375 L CB 0.340 42.434 42.059 0.058 0.000 1.186 375 L HN 0.352 nan 8.230 nan 0.000 0.436 379 F N 4.449 124.375 119.950 -0.040 0.000 2.508 379 F HA 0.596 5.124 4.527 0.002 0.000 0.325 379 F C -0.578 175.183 175.800 -0.065 0.000 1.090 379 F CA -0.159 57.813 58.000 -0.046 0.000 0.945 379 F CB 1.866 40.842 39.000 -0.041 0.000 1.156 379 F HN 0.535 nan 8.300 nan 0.000 0.463 380 Q N 7.541 126.692 119.800 -1.082 0.000 2.303 380 Q HA 0.465 4.806 4.340 0.002 0.000 0.267 380 Q C -2.857 172.388 176.000 -1.258 0.000 1.011 380 Q CA -2.358 52.918 55.803 -0.879 0.000 0.740 380 Q CB 2.198 30.671 28.738 -0.441 0.000 1.250 380 Q HN 0.330 nan 8.270 nan 0.000 0.458 381 P HA 0.011 nan 4.420 nan 0.000 0.271 381 P C -1.247 175.862 177.300 -0.319 0.000 1.216 381 P CA 0.067 62.799 63.100 -0.614 0.000 0.776 381 P CB 0.484 31.924 31.700 -0.434 0.000 0.881 382 H N 5.326 124.270 119.070 -0.209 0.000 2.556 382 H HA 0.322 4.879 4.556 0.002 0.000 0.310 382 H C 0.137 175.419 175.328 -0.077 0.000 1.057 382 H CA -0.193 55.800 56.048 -0.091 0.000 1.264 382 H CB 0.260 29.997 29.762 -0.041 0.000 1.404 382 H HN 0.474 nan 8.280 nan 0.000 0.462 383 R N 2.137 122.425 120.500 -0.353 0.000 3.337 383 R HA -0.228 4.113 4.340 0.002 0.000 0.490 383 R C -0.091 176.031 176.300 -0.297 0.000 0.830 383 R CA 0.605 56.541 56.100 -0.274 0.000 1.485 383 R CB -0.891 29.412 30.300 0.005 0.000 2.108 383 R HN 0.497 nan 8.270 nan 0.000 0.519 384 F N 0.256 120.201 119.950 -0.008 0.000 2.270 384 F HA -0.100 4.428 4.527 0.002 0.000 0.295 384 F C 2.774 178.612 175.800 0.063 0.000 1.087 384 F CA 1.346 59.356 58.000 0.017 0.000 1.365 384 F CB -0.299 38.701 39.000 -0.000 0.000 1.056 384 F HN 0.800 nan 8.300 nan 0.000 0.506 385 T N -0.787 113.916 114.554 0.249 0.000 2.652 385 T HA -0.279 4.072 4.350 0.002 0.000 0.267 385 T C 2.144 176.962 174.700 0.197 0.000 1.039 385 T CA 1.479 63.696 62.100 0.195 0.000 1.153 385 T CB -0.646 68.322 68.868 0.167 0.000 0.863 385 T HN 0.214 nan 8.240 nan 0.000 0.428 386 R N 1.071 121.693 120.500 0.203 0.000 2.083 386 R HA -0.128 4.213 4.340 0.002 0.000 0.237 386 R C 2.520 179.026 176.300 0.344 0.000 1.137 386 R CA 2.057 58.310 56.100 0.255 0.000 0.951 386 R CB -0.939 29.532 30.300 0.285 0.000 0.851 386 R HN 0.498 nan 8.270 nan 0.000 0.434 387 T N 0.697 115.406 114.554 0.258 0.000 2.788 387 T HA -0.166 4.185 4.350 0.002 0.000 0.268 387 T C 1.762 176.677 174.700 0.358 0.000 1.044 387 T CA 1.469 63.711 62.100 0.236 0.000 1.139 387 T CB -0.268 68.629 68.868 0.048 0.000 0.867 387 T HN 0.347 nan 8.240 nan 0.000 0.454 388 R N 1.000 121.668 120.500 0.279 0.000 2.066 388 R HA -0.126 4.215 4.340 0.002 0.000 0.232 388 R C 1.595 178.019 176.300 0.206 0.000 1.131 388 R CA 1.821 58.053 56.100 0.220 0.000 0.955 388 R CB -0.246 30.145 30.300 0.152 0.000 0.851 388 R HN 0.257 nan 8.270 nan 0.000 0.432 389 D N 0.294 120.812 120.400 0.196 0.000 2.183 389 D HA -0.060 4.581 4.640 0.002 0.000 0.203 389 D C 1.324 177.703 176.300 0.131 0.000 0.969 389 D CA 1.013 55.100 54.000 0.145 0.000 0.842 389 D CB 0.176 41.056 40.800 0.133 0.000 0.957 389 D HN 0.299 nan 8.370 nan 0.000 0.484 390 L N -0.502 120.831 121.223 0.182 0.000 2.857 390 L HA 0.197 4.538 4.340 0.002 0.000 0.249 390 L C 1.373 178.342 176.870 0.164 0.000 1.172 390 L CA -0.356 54.505 54.840 0.034 0.000 0.980 390 L CB 0.000 41.905 42.059 -0.258 0.000 1.299 390 L HN -0.094 nan 8.230 nan 0.000 0.535 391 Y N 2.035 122.454 120.300 0.199 0.000 2.030 391 Y HA -0.410 4.141 4.550 0.002 0.000 0.272 391 Y C 2.196 178.180 175.900 0.141 0.000 1.185 391 Y CA 2.387 60.620 58.100 0.222 0.000 1.120 391 Y CB 0.118 38.656 38.460 0.130 0.000 0.955 391 Y HN 0.292 nan 8.280 nan 0.000 0.495 392 D N -0.108 120.439 120.400 0.245 0.000 2.149 392 D HA -0.176 4.465 4.640 0.002 0.000 0.198 392 D C 1.776 178.058 176.300 -0.029 0.000 0.990 392 D CA 1.631 55.695 54.000 0.106 0.000 0.839 392 D CB -0.441 40.420 40.800 0.102 0.000 0.948 392 D HN 0.490 nan 8.370 nan 0.000 0.460 393 D N -0.287 120.057 120.400 -0.093 0.000 2.117 393 D HA -0.106 4.535 4.640 0.002 0.000 0.198 393 D C 2.013 178.149 176.300 -0.274 0.000 0.982 393 D CA 0.430 54.299 54.000 -0.219 0.000 0.828 393 D CB -0.393 40.207 40.800 -0.333 0.000 0.967 393 D HN 0.183 nan 8.370 nan 0.000 0.464 394 F N 1.690 121.519 119.950 -0.201 0.000 2.095 394 F HA -0.164 4.364 4.527 0.002 0.000 0.298 394 F C 2.536 178.173 175.800 -0.272 0.000 1.104 394 F CA 1.091 58.935 58.000 -0.261 0.000 1.232 394 F CB -0.859 37.994 39.000 -0.245 0.000 0.987 394 F HN -0.081 nan 8.300 nan 0.000 0.475 395 A N 0.142 122.910 122.820 -0.086 0.000 1.908 395 A HA -0.215 4.106 4.320 0.002 0.000 0.218 395 A C 2.159 179.689 177.584 -0.089 0.000 1.181 395 A CA 1.982 53.947 52.037 -0.120 0.000 0.627 395 A CB -0.825 18.092 19.000 -0.139 0.000 0.818 395 A HN 0.369 nan 8.150 nan 0.000 0.445 396 N N 0.096 118.742 118.700 -0.089 0.000 2.084 396 N HA -0.153 4.588 4.740 0.002 0.000 0.190 396 N C 1.911 177.365 175.510 -0.093 0.000 1.030 396 N CA 2.167 55.167 53.050 -0.082 0.000 0.849 396 N CB -0.670 37.766 38.487 -0.084 0.000 1.012 396 N HN 0.567 nan 8.380 nan 0.000 0.423 397 V N -1.062 118.777 119.914 -0.125 0.000 2.535 397 V HA 0.071 4.192 4.120 0.002 0.000 0.246 397 V C 2.090 178.108 176.094 -0.126 0.000 1.045 397 V CA 0.919 63.142 62.300 -0.129 0.000 1.058 397 V CB -0.766 30.959 31.823 -0.164 0.000 0.689 397 V HN 0.103 nan 8.190 nan 0.000 0.461 398 L N 0.762 121.896 121.223 -0.148 0.000 2.275 398 L HA -0.084 4.257 4.340 0.002 0.000 0.215 398 L C 2.701 179.512 176.870 -0.098 0.000 1.119 398 L CA 1.925 56.667 54.840 -0.164 0.000 0.790 398 L CB -0.656 41.274 42.059 -0.214 0.000 0.919 398 L HN 0.456 nan 8.230 nan 0.000 0.443 399 T N -1.165 113.343 114.554 -0.076 0.000 3.160 399 T HA -0.066 4.285 4.350 0.002 0.000 0.257 399 T C 1.588 176.267 174.700 -0.036 0.000 1.147 399 T CA 0.610 62.681 62.100 -0.048 0.000 1.064 399 T CB -0.008 68.836 68.868 -0.040 0.000 0.949 399 T HN 0.403 nan 8.240 nan 0.000 0.526 400 Q N 0.562 120.337 119.800 -0.042 0.000 2.432 400 Q HA 0.120 4.461 4.340 0.002 0.000 0.205 400 Q C 0.944 176.938 176.000 -0.009 0.000 0.945 400 Q CA 0.168 55.956 55.803 -0.025 0.000 0.924 400 Q CB 0.193 28.914 28.738 -0.030 0.000 1.016 400 Q HN 0.569 nan 8.270 nan 0.000 0.503 401 V N -1.706 118.200 119.914 -0.014 0.000 3.083 401 V HA 0.107 4.228 4.120 0.002 0.000 0.306 401 V C 0.667 176.765 176.094 0.006 0.000 1.077 401 V CA -0.568 61.733 62.300 0.002 0.000 1.073 401 V CB 1.124 32.946 31.823 -0.001 0.000 1.081 401 V HN -0.025 nan 8.190 nan 0.000 0.474 402 D N 0.869 121.278 120.400 0.016 0.000 2.123 402 D HA 0.039 4.681 4.640 0.002 0.000 0.200 402 D C 0.629 176.936 176.300 0.012 0.000 0.976 402 D CA 1.596 55.605 54.000 0.016 0.000 0.831 402 D CB 0.135 40.948 40.800 0.023 0.000 0.974 402 D HN 0.748 nan 8.370 nan 0.000 0.469 403 T N 0.950 115.512 114.554 0.012 0.000 2.879 403 T HA 0.435 4.786 4.350 0.002 0.000 0.290 403 T C -0.862 173.845 174.700 0.011 0.000 0.993 403 T CA -0.609 61.498 62.100 0.011 0.000 0.975 403 T CB 2.266 71.141 68.868 0.012 0.000 0.981 403 T HN -0.151 nan 8.240 nan 0.000 0.439 404 L N 4.595 125.825 121.223 0.011 0.000 2.313 404 L HA 0.747 5.088 4.340 0.002 0.000 0.283 404 L C -1.452 175.433 176.870 0.025 0.000 1.013 404 L CA -0.510 54.341 54.840 0.018 0.000 0.816 404 L CB 0.727 42.791 42.059 0.007 0.000 1.236 404 L HN 0.517 nan 8.230 nan 0.000 0.419 408 E N -0.087 120.077 120.200 -0.061 0.000 2.418 408 E HA 0.319 4.670 4.350 0.002 0.000 0.261 408 E C -0.682 175.843 176.600 -0.126 0.000 1.070 408 E CA -0.394 55.972 56.400 -0.058 0.000 0.931 408 E CB 0.775 30.465 29.700 -0.016 0.000 0.954 408 E HN 0.325 nan 8.360 nan 0.000 0.439 409 V N 3.025 122.831 119.914 -0.179 0.000 2.617 409 V HA -0.184 3.937 4.120 0.002 0.000 0.304 409 V C -0.169 175.728 176.094 -0.328 0.000 1.040 409 V CA 0.597 62.677 62.300 -0.367 0.000 1.149 409 V CB -0.374 31.017 31.823 -0.719 0.000 0.914 409 V HN 0.518 nan 8.190 nan 0.000 0.487 410 Y N 8.655 128.699 120.300 -0.426 0.000 2.539 410 Y HA 0.303 4.854 4.550 0.002 0.000 0.352 410 Y C -1.622 173.977 175.900 -0.502 0.000 1.004 410 Y CA -2.096 55.780 58.100 -0.374 0.000 1.278 410 Y CB 1.386 39.657 38.460 -0.315 0.000 1.136 410 Y HN 0.549 nan 8.280 nan 0.000 0.528 411 P HA -0.047 nan 4.420 nan 0.000 0.221 411 P C 0.231 177.246 177.300 -0.476 0.000 1.150 411 P CA 1.634 64.435 63.100 -0.498 0.000 0.800 411 P CB 0.127 31.746 31.700 -0.135 0.000 0.787 412 A N -1.229 121.132 122.820 -0.765 0.000 2.687 412 A HA -0.006 4.315 4.320 0.002 0.000 0.299 412 A C 1.447 178.931 177.584 -0.168 0.000 1.497 412 A CA 1.248 53.022 52.037 -0.438 0.000 0.751 412 A CB -2.215 16.636 19.000 -0.248 0.000 1.048 412 A HN 0.543 nan 8.150 nan 0.000 0.464 413 G N -2.045 106.659 108.800 -0.161 0.000 2.258 413 G HA2 -0.221 3.740 3.960 0.002 0.000 0.233 413 G HA3 -0.221 3.740 3.960 0.002 0.000 0.233 413 G C 0.009 174.900 174.900 -0.015 0.000 1.006 413 G CA 0.633 45.700 45.100 -0.056 0.000 0.620 413 G HN 1.150 nan 8.290 nan 0.000 0.511 414 E N 1.039 121.243 120.200 0.008 0.000 2.390 414 E HA 0.544 4.895 4.350 0.002 0.000 0.261 414 E C 0.703 177.375 176.600 0.120 0.000 1.076 414 E CA 0.067 56.525 56.400 0.096 0.000 0.905 414 E CB 1.065 30.879 29.700 0.190 0.000 0.984 414 E HN 0.668 nan 8.360 nan 0.000 0.427 415 A N 3.598 126.446 122.820 0.046 0.000 2.322 415 A HA 0.371 4.692 4.320 0.002 0.000 0.269 415 A C -2.222 175.177 177.584 -0.309 0.000 1.094 415 A CA -1.395 50.602 52.037 -0.066 0.000 0.807 415 A CB -0.031 18.922 19.000 -0.078 0.000 1.047 415 A HN 0.338 nan 8.150 nan 0.000 0.487 416 P HA 0.211 nan 4.420 nan 0.000 0.266 416 P C -0.891 175.924 177.300 -0.809 0.000 1.195 416 P CA 0.588 62.942 63.100 -1.244 0.000 0.768 416 P CB 0.298 31.622 31.700 -0.626 0.000 0.838 417 I N 4.647 124.693 120.570 -0.874 0.000 2.436 417 I HA 0.301 4.472 4.170 0.002 0.000 0.289 417 I C -2.111 173.889 176.117 -0.194 0.000 1.010 417 I CA -2.694 58.413 61.300 -0.320 0.000 1.098 417 I CB 2.238 40.174 38.000 -0.106 0.000 1.266 417 I HN 0.188 nan 8.210 nan 0.000 0.434 418 P HA 0.145 nan 4.420 nan 0.000 0.271 418 P C 0.727 178.004 177.300 -0.039 0.000 1.216 418 P CA 0.430 63.485 63.100 -0.074 0.000 0.776 418 P CB 1.107 32.767 31.700 -0.067 0.000 0.881 419 G N 2.351 111.142 108.800 -0.014 0.000 2.225 419 G HA2 -0.265 3.696 3.960 0.002 0.000 0.254 419 G HA3 -0.265 3.696 3.960 0.002 0.000 0.254 419 G C 0.630 175.545 174.900 0.025 0.000 0.988 419 G CA 0.186 45.270 45.100 -0.027 0.000 0.625 419 G HN 0.846 nan 8.290 nan 0.000 0.527 420 A N 0.422 123.307 122.820 0.108 0.000 2.708 420 A HA 0.601 4.923 4.320 0.002 0.000 0.293 420 A C 0.319 178.089 177.584 0.310 0.000 1.303 420 A CA 0.519 52.703 52.037 0.244 0.000 0.949 420 A CB 0.069 19.224 19.000 0.258 0.000 1.121 420 A HN 0.340 nan 8.150 nan 0.000 0.542 421 D N -0.831 119.714 120.400 0.242 0.000 2.411 421 D HA 0.342 4.983 4.640 0.002 0.000 0.251 421 D C 1.242 177.623 176.300 0.135 0.000 1.201 421 D CA -0.063 54.062 54.000 0.208 0.000 0.996 421 D CB 0.879 41.766 40.800 0.144 0.000 1.101 421 D HN 0.051 nan 8.370 nan 0.000 0.504 422 S N -0.441 115.302 115.700 0.072 0.000 2.383 422 S HA -0.144 4.327 4.470 0.002 0.000 0.227 422 S C 1.794 176.423 174.600 0.049 0.000 1.026 422 S CA 0.905 59.122 58.200 0.028 0.000 0.981 422 S CB -0.166 63.031 63.200 -0.005 0.000 0.818 422 S HN 0.475 nan 8.310 nan 0.000 0.472 423 R N 1.294 121.831 120.500 0.062 0.000 2.115 423 R HA 0.090 4.431 4.340 0.002 0.000 0.226 423 R C 2.048 178.398 176.300 0.083 0.000 1.100 423 R CA 1.505 57.641 56.100 0.059 0.000 0.980 423 R CB -0.784 29.545 30.300 0.047 0.000 0.875 423 R HN 0.161 nan 8.270 nan 0.000 0.445 424 S N 1.856 117.629 115.700 0.122 0.000 2.359 424 S HA -0.135 4.337 4.470 0.002 0.000 0.223 424 S C 1.942 176.686 174.600 0.240 0.000 1.039 424 S CA 1.429 59.743 58.200 0.189 0.000 1.042 424 S CB -0.350 62.996 63.200 0.243 0.000 0.915 424 S HN 0.280 nan 8.310 nan 0.000 0.439 425 L N 0.594 121.915 121.223 0.164 0.000 2.093 425 L HA -0.135 4.206 4.340 0.002 0.000 0.208 425 L C 2.326 179.183 176.870 -0.021 0.000 1.085 425 L CA 1.029 55.843 54.840 -0.044 0.000 0.755 425 L CB -0.355 41.613 42.059 -0.152 0.000 0.904 425 L HN 0.436 nan 8.230 nan 0.000 0.435 426 C N -0.561 118.751 119.300 0.020 0.000 2.440 426 C HA -0.123 4.338 4.460 0.002 0.000 0.278 426 C C 2.787 177.794 174.990 0.028 0.000 1.295 426 C CA 0.494 59.522 59.018 0.018 0.000 1.738 426 C CB -0.981 26.774 27.740 0.024 0.000 1.987 426 C HN 0.458 nan 8.230 nan 0.000 0.492 427 R N 0.249 120.780 120.500 0.051 0.000 2.073 427 R HA -0.114 4.227 4.340 0.002 0.000 0.234 427 R C 2.195 178.529 176.300 0.056 0.000 1.134 427 R CA 1.904 58.036 56.100 0.054 0.000 0.952 427 R CB -0.843 29.497 30.300 0.067 0.000 0.850 427 R HN 0.514 nan 8.270 nan 0.000 0.433 428 T N 1.538 116.141 114.554 0.081 0.000 2.684 428 T HA -0.121 4.230 4.350 0.002 0.000 0.267 428 T C 1.950 176.666 174.700 0.027 0.000 1.036 428 T CA 1.378 63.527 62.100 0.081 0.000 1.148 428 T CB -0.200 68.745 68.868 0.127 0.000 0.863 428 T HN 0.145 nan 8.240 nan 0.000 0.436 429 I N 0.513 121.081 120.570 -0.005 0.000 2.226 429 I HA -0.156 4.015 4.170 0.002 0.000 0.245 429 I C 2.817 178.933 176.117 -0.002 0.000 1.100 429 I CA 1.218 62.507 61.300 -0.017 0.000 1.374 429 I CB -0.377 37.603 38.000 -0.034 0.000 1.057 429 I HN 0.104 nan 8.210 nan 0.000 0.413 430 R N 1.122 121.626 120.500 0.007 0.000 2.096 430 R HA -0.179 4.163 4.340 0.002 0.000 0.240 430 R C 2.361 178.668 176.300 0.013 0.000 1.139 430 R CA 1.831 57.937 56.100 0.011 0.000 0.952 430 R CB -0.671 29.639 30.300 0.016 0.000 0.854 430 R HN 0.448 nan 8.270 nan 0.000 0.436 431 G N 0.576 109.388 108.800 0.019 0.000 2.462 431 G HA2 -0.256 3.705 3.960 0.002 0.000 0.220 431 G HA3 -0.256 3.705 3.960 0.002 0.000 0.220 431 G C 1.258 176.167 174.900 0.015 0.000 1.121 431 G CA 0.392 45.505 45.100 0.021 0.000 0.758 431 G HN 0.246 nan 8.290 nan 0.000 0.559 432 R N 0.226 120.732 120.500 0.011 0.000 2.235 432 R HA 0.031 4.372 4.340 0.002 0.000 0.213 432 R C 2.020 178.322 176.300 0.003 0.000 1.059 432 R CA 0.777 56.880 56.100 0.005 0.000 0.997 432 R CB -0.657 29.642 30.300 -0.002 0.000 0.884 432 R HN 0.497 nan 8.270 nan 0.000 0.462 433 G N 1.068 109.870 108.800 0.004 0.000 2.143 433 G HA2 -0.337 3.624 3.960 0.002 0.000 0.248 433 G HA3 -0.337 3.624 3.960 0.002 0.000 0.248 433 G C 0.855 175.757 174.900 0.002 0.000 0.991 433 G CA 0.902 46.004 45.100 0.004 0.000 0.689 433 G HN 0.369 nan 8.290 nan 0.000 0.522 434 K N -0.675 119.725 120.400 -0.000 0.000 2.214 434 K HA 0.446 4.767 4.320 0.002 0.000 0.201 434 K C 1.255 177.855 176.600 0.000 0.000 1.049 434 K CA 1.207 57.493 56.287 -0.001 0.000 0.978 434 K CB 0.342 32.839 32.500 -0.004 0.000 0.842 434 K HN 0.759 nan 8.250 nan 0.000 0.474 435 I N -2.650 117.919 120.570 -0.001 0.000 2.969 435 I HA 0.421 4.592 4.170 0.002 0.000 0.307 435 I C -1.646 174.472 176.117 0.002 0.000 1.149 435 I CA -1.099 60.201 61.300 0.001 0.000 1.008 435 I CB 2.320 40.319 38.000 -0.002 0.000 1.232 435 I HN -0.287 nan 8.210 nan 0.000 0.435 436 D N 4.788 125.190 120.400 0.004 0.000 2.472 436 D HA 0.509 5.150 4.640 0.002 0.000 0.234 436 D C -2.507 173.797 176.300 0.007 0.000 1.088 436 D CA -1.764 52.240 54.000 0.006 0.000 0.882 436 D CB 1.115 41.920 40.800 0.007 0.000 1.037 436 D HN 0.329 nan 8.370 nan 0.000 0.520 437 P HA 0.198 nan 4.420 nan 0.000 0.268 437 P C -0.293 177.014 177.300 0.012 0.000 1.205 437 P CA -0.048 63.058 63.100 0.010 0.000 0.771 437 P CB 0.688 32.394 31.700 0.009 0.000 0.858 438 I N 3.083 123.660 120.570 0.013 0.000 2.321 438 I HA 0.219 4.390 4.170 0.002 0.000 0.291 438 I C 0.509 176.633 176.117 0.012 0.000 0.998 438 I CA -0.707 60.599 61.300 0.011 0.000 1.227 438 I CB 0.717 38.722 38.000 0.008 0.000 1.368 438 I HN 0.149 nan 8.210 nan 0.000 0.466 439 L N 6.684 127.914 121.223 0.011 0.000 2.426 439 L HA 0.273 4.614 4.340 0.002 0.000 0.271 439 L C -0.373 176.499 176.870 0.003 0.000 1.169 439 L CA -0.319 54.526 54.840 0.009 0.000 0.836 439 L CB 1.170 43.236 42.059 0.010 0.000 1.112 439 L HN 0.352 nan 8.230 nan 0.000 0.465 440 V N 4.624 124.537 119.914 -0.003 0.000 2.276 440 V HA 0.196 4.317 4.120 0.002 0.000 0.268 440 V C -1.488 174.600 176.094 -0.010 0.000 1.032 440 V CA -0.787 61.508 62.300 -0.008 0.000 0.810 440 V CB 0.918 32.732 31.823 -0.014 0.000 1.060 440 V HN 0.707 nan 8.190 nan 0.000 0.446 441 P HA 0.032 nan 4.420 nan 0.000 0.224 441 P C 0.209 177.505 177.300 -0.006 0.000 1.157 441 P CA 0.649 63.747 63.100 -0.004 0.000 0.799 441 P CB 0.619 32.319 31.700 0.000 0.000 0.809 442 D N 0.882 121.277 120.400 -0.009 0.000 2.392 442 D HA 0.166 4.807 4.640 0.002 0.000 0.228 442 D C -1.511 174.780 176.300 -0.015 0.000 1.074 442 D CA -2.542 51.452 54.000 -0.010 0.000 0.838 442 D CB 1.188 41.982 40.800 -0.010 0.000 1.067 442 D HN -0.064 nan 8.370 nan 0.000 0.511 443 P HA -0.053 nan 4.420 nan 0.000 0.231 443 P C 0.573 177.858 177.300 -0.026 0.000 1.158 443 P CA 0.415 63.501 63.100 -0.023 0.000 0.763 443 P CB 0.354 32.043 31.700 -0.018 0.000 0.805 444 A N -0.254 122.552 122.820 -0.022 0.000 2.169 444 A HA 0.230 4.551 4.320 0.002 0.000 0.210 444 A C 2.141 179.708 177.584 -0.027 0.000 1.168 444 A CA 0.433 52.455 52.037 -0.026 0.000 0.813 444 A CB -0.719 18.268 19.000 -0.022 0.000 0.861 444 A HN 0.215 nan 8.150 nan 0.000 0.481 445 R N 0.185 120.670 120.500 -0.024 0.000 2.555 445 R HA 0.524 4.865 4.340 0.002 0.000 0.272 445 R C 1.207 177.492 176.300 -0.025 0.000 1.089 445 R CA 0.628 56.714 56.100 -0.023 0.000 1.126 445 R CB -1.771 28.519 30.300 -0.018 0.000 1.250 445 R HN 0.274 nan 8.270 nan 0.000 0.551 446 V N 0.113 120.009 119.914 -0.030 0.000 2.244 446 V HA -0.186 3.935 4.120 0.002 0.000 0.244 446 V C 3.018 179.092 176.094 -0.034 0.000 1.042 446 V CA 2.223 64.504 62.300 -0.032 0.000 1.006 446 V CB -0.642 31.159 31.823 -0.037 0.000 0.641 446 V HN 0.667 nan 8.190 nan 0.000 0.446 447 A N -0.701 122.093 122.820 -0.043 0.000 2.019 447 A HA -0.123 4.198 4.320 0.002 0.000 0.219 447 A C 1.374 178.935 177.584 -0.037 0.000 1.164 447 A CA 0.925 52.933 52.037 -0.049 0.000 0.644 447 A CB -0.398 18.562 19.000 -0.066 0.000 0.805 447 A HN 0.595 nan 8.150 nan 0.000 0.449 451 A N 1.196 124.007 122.820 -0.016 0.000 1.873 451 A HA -0.092 4.229 4.320 0.002 0.000 0.218 451 A C -0.459 177.122 177.584 -0.005 0.000 1.193 451 A CA 2.519 54.549 52.037 -0.012 0.000 0.629 451 A CB -1.926 17.064 19.000 -0.017 0.000 0.826 451 A HN 0.452 nan 8.150 nan 0.000 0.447 452 P HA -0.117 nan 4.420 nan 0.000 0.218 452 P C 1.412 178.713 177.300 0.003 0.000 1.148 452 P CA 1.887 64.986 63.100 -0.000 0.000 0.822 452 P CB -0.254 31.445 31.700 -0.001 0.000 0.784 453 V N -5.520 114.396 119.914 0.003 0.000 3.608 453 V HA 0.098 4.219 4.120 0.002 0.000 0.269 453 V C 0.759 176.859 176.094 0.010 0.000 1.245 453 V CA 0.078 62.382 62.300 0.007 0.000 1.138 453 V CB -1.066 30.761 31.823 0.006 0.000 0.841 453 V HN -0.154 nan 8.190 nan 0.000 0.451 454 L N 2.861 124.089 121.223 0.009 0.000 2.410 454 L HA 0.378 4.719 4.340 0.002 0.000 0.273 454 L C 1.627 178.507 176.870 0.017 0.000 1.152 454 L CA 1.389 56.238 54.840 0.014 0.000 0.855 454 L CB 1.140 43.208 42.059 0.015 0.000 1.129 454 L HN 0.562 nan 8.230 nan 0.000 0.463 455 T N -1.747 112.819 114.554 0.020 0.000 3.038 455 T HA 0.368 4.719 4.350 0.002 0.000 0.244 455 T C 1.048 175.762 174.700 0.024 0.000 1.016 455 T CA 0.512 62.624 62.100 0.021 0.000 1.098 455 T CB 0.493 69.375 68.868 0.022 0.000 0.954 455 T HN 0.734 nan 8.240 nan 0.000 0.469 456 G N 0.962 109.779 108.800 0.028 0.000 2.672 456 G HA2 -0.073 3.888 3.960 0.002 0.000 0.197 456 G HA3 -0.073 3.888 3.960 0.002 0.000 0.197 456 G C 0.011 174.932 174.900 0.036 0.000 0.995 456 G CA 0.003 45.121 45.100 0.031 0.000 0.754 456 G HN 0.625 nan 8.290 nan 0.000 0.505 457 N N 1.101 119.823 118.700 0.037 0.000 2.673 457 N HA 0.274 5.015 4.740 0.002 0.000 0.265 457 N C -1.655 173.879 175.510 0.040 0.000 1.709 457 N CA -0.098 52.978 53.050 0.043 0.000 0.792 457 N CB 0.691 39.208 38.487 0.049 0.000 1.286 457 N HN 0.275 nan 8.380 nan 0.000 0.506 458 D N 0.971 121.389 120.400 0.030 0.000 2.228 458 D HA 0.375 5.016 4.640 0.002 0.000 0.247 458 D C -0.394 175.904 176.300 -0.004 0.000 0.995 458 D CA -0.323 53.690 54.000 0.021 0.000 0.903 458 D CB 2.530 43.342 40.800 0.021 0.000 1.205 458 D HN 0.138 nan 8.370 nan 0.000 0.459 459 L N 1.973 123.185 121.223 -0.018 0.000 2.342 459 L HA 0.471 4.812 4.340 0.002 0.000 0.276 459 L C -1.345 175.496 176.870 -0.047 0.000 0.997 459 L CA -0.667 54.131 54.840 -0.070 0.000 0.838 459 L CB 0.542 42.531 42.059 -0.117 0.000 1.224 459 L HN 0.377 nan 8.230 nan 0.000 0.416 460 I N 5.773 126.314 120.570 -0.047 0.000 2.325 460 I HA 0.225 4.396 4.170 0.002 0.000 0.291 460 I C -0.352 175.721 176.117 -0.072 0.000 1.019 460 I CA -0.231 61.047 61.300 -0.037 0.000 1.302 460 I CB 1.016 39.007 38.000 -0.016 0.000 1.401 460 I HN 0.434 nan 8.210 nan 0.000 0.485 461 L N 7.348 128.537 121.223 -0.057 0.000 2.257 461 L HA 0.409 4.750 4.340 0.002 0.000 0.290 461 L C -0.396 176.460 176.870 -0.023 0.000 1.044 461 L CA -0.762 54.035 54.840 -0.072 0.000 0.810 461 L CB 1.319 43.354 42.059 -0.040 0.000 1.193 461 L HN 0.326 nan 8.230 nan 0.000 0.425 462 V N 3.432 123.325 119.914 -0.035 0.000 2.383 462 V HA 0.337 4.458 4.120 0.002 0.000 0.275 462 V C -0.129 175.977 176.094 0.021 0.000 1.036 462 V CA -0.449 61.846 62.300 -0.007 0.000 0.889 462 V CB 1.343 33.149 31.823 -0.028 0.000 0.985 462 V HN 0.712 nan 8.190 nan 0.000 0.459 463 Q N 3.072 122.913 119.800 0.068 0.000 2.285 463 Q HA 0.735 5.077 4.340 0.002 0.000 0.269 463 Q C -0.408 175.650 176.000 0.097 0.000 1.030 463 Q CA 0.443 56.338 55.803 0.153 0.000 0.788 463 Q CB 2.031 30.941 28.738 0.287 0.000 1.266 463 Q HN 1.171 nan 8.270 nan 0.000 0.438 464 G N 1.277 110.096 108.800 0.032 0.000 2.339 464 G HA2 0.466 4.427 3.960 0.002 0.000 0.381 464 G HA3 0.466 4.427 3.960 0.002 0.000 0.381 464 G C -1.727 173.006 174.900 -0.279 0.000 1.400 464 G CA -0.373 44.642 45.100 -0.141 0.000 1.002 464 G HN 0.863 nan 8.290 nan 0.000 0.633 465 A N 0.039 122.597 122.820 -0.437 0.000 2.258 465 A HA 1.022 5.343 4.320 0.002 0.000 0.316 465 A C 1.087 178.394 177.584 -0.461 0.000 1.279 465 A CA 0.968 52.520 52.037 -0.808 0.000 0.876 465 A CB 0.553 18.752 19.000 -1.334 0.000 1.170 465 A HN 2.839 nan 8.150 nan 0.000 0.520 466 G N 2.607 111.223 108.800 -0.308 0.000 2.825 466 G HA2 -0.092 3.869 3.960 0.002 0.000 0.684 466 G HA3 -0.092 3.869 3.960 0.002 0.000 0.684 466 G C 0.565 175.164 174.900 -0.501 0.000 1.528 466 G CA 0.482 45.401 45.100 -0.302 0.000 0.963 466 G HN 1.990 nan 8.290 nan 0.000 0.577 467 N N -1.056 117.417 118.700 -0.379 0.000 2.124 467 N HA -0.309 4.432 4.740 0.002 0.000 0.216 467 N C 1.824 177.228 175.510 -0.177 0.000 0.473 467 N CA 2.552 55.432 53.050 -0.283 0.000 4.165 467 N CB -1.248 36.994 38.487 -0.409 0.000 0.769 467 N HN 1.156 nan 8.380 nan 0.000 0.240 468 I N 1.678 122.124 120.570 -0.207 0.000 2.614 468 I HA -0.091 4.080 4.170 0.002 0.000 0.258 468 I C 2.333 178.396 176.117 -0.089 0.000 1.189 468 I CA 1.597 62.814 61.300 -0.139 0.000 1.462 468 I CB -0.508 37.396 38.000 -0.160 0.000 1.092 468 I HN 0.471 nan 8.210 nan 0.000 0.442 469 G N 0.592 109.344 108.800 -0.080 0.000 2.446 469 G HA2 -0.272 3.689 3.960 0.002 0.000 0.217 469 G HA3 -0.272 3.689 3.960 0.002 0.000 0.217 469 G C 1.709 176.591 174.900 -0.030 0.000 1.168 469 G CA 0.655 45.739 45.100 -0.028 0.000 0.771 469 G HN 0.308 nan 8.290 nan 0.000 0.551 470 K N -0.104 120.271 120.400 -0.041 0.000 2.044 470 K HA -0.063 4.258 4.320 0.002 0.000 0.210 470 K C 2.493 179.068 176.600 -0.043 0.000 1.049 470 K CA 1.307 57.572 56.287 -0.036 0.000 0.927 470 K CB -0.325 32.154 32.500 -0.036 0.000 0.713 470 K HN 0.345 nan 8.250 nan 0.000 0.443 471 I N 0.954 121.493 120.570 -0.051 0.000 2.208 471 I HA -0.299 3.872 4.170 0.002 0.000 0.245 471 I C 2.506 178.591 176.117 -0.053 0.000 1.097 471 I CA 1.169 62.437 61.300 -0.053 0.000 1.363 471 I CB -0.374 37.592 38.000 -0.057 0.000 1.051 471 I HN 0.172 nan 8.210 nan 0.000 0.413 472 A N 0.735 123.527 122.820 -0.047 0.000 1.902 472 A HA -0.215 4.106 4.320 0.002 0.000 0.217 472 A C 2.420 179.978 177.584 -0.044 0.000 1.181 472 A CA 1.605 53.617 52.037 -0.043 0.000 0.623 472 A CB -0.555 18.426 19.000 -0.032 0.000 0.818 472 A HN 0.315 nan 8.150 nan 0.000 0.443 473 R N -0.444 120.033 120.500 -0.038 0.000 2.075 473 R HA -0.053 4.288 4.340 0.002 0.000 0.232 473 R C 2.573 178.841 176.300 -0.054 0.000 1.126 473 R CA 1.406 57.484 56.100 -0.037 0.000 0.963 473 R CB -0.340 29.944 30.300 -0.027 0.000 0.858 473 R HN 0.520 nan 8.270 nan 0.000 0.435 474 S N 1.362 117.026 115.700 -0.059 0.000 2.359 474 S HA -0.126 4.345 4.470 0.002 0.000 0.224 474 S C 1.956 176.491 174.600 -0.108 0.000 1.035 474 S CA 1.171 59.327 58.200 -0.073 0.000 1.018 474 S CB -0.252 62.910 63.200 -0.064 0.000 0.876 474 S HN 0.219 nan 8.310 nan 0.000 0.448 475 L N 1.012 122.168 121.223 -0.111 0.000 2.127 475 L HA -0.177 4.164 4.340 0.002 0.000 0.211 475 L C 2.711 179.424 176.870 -0.262 0.000 1.089 475 L CA 1.140 55.883 54.840 -0.161 0.000 0.757 475 L CB -0.685 41.307 42.059 -0.112 0.000 0.899 475 L HN 0.333 nan 8.230 nan 0.000 0.434 476 A N 0.640 123.362 122.820 -0.163 0.000 1.872 476 A HA -0.187 4.134 4.320 0.002 0.000 0.214 476 A C 2.255 179.723 177.584 -0.193 0.000 1.187 476 A CA 1.523 53.487 52.037 -0.120 0.000 0.614 476 A CB -0.412 18.604 19.000 0.027 0.000 0.826 476 A HN 0.582 nan 8.150 nan 0.000 0.442 477 E N 0.711 120.832 120.200 -0.132 0.000 2.072 477 E HA -0.144 4.207 4.350 0.002 0.000 0.190 477 E C 1.898 178.406 176.600 -0.153 0.000 0.982 477 E CA 1.403 57.740 56.400 -0.104 0.000 0.803 477 E CB -0.702 28.959 29.700 -0.064 0.000 0.755 477 E HN 0.802 nan 8.360 nan 0.000 0.453 478 I N -0.718 119.738 120.570 -0.189 0.000 3.444 478 I HA 0.063 4.234 4.170 0.002 0.000 0.287 478 I C 0.027 175.963 176.117 -0.302 0.000 1.302 478 I CA 0.183 61.368 61.300 -0.192 0.000 1.368 478 I CB -0.416 37.493 38.000 -0.151 0.000 1.048 478 I HN -0.099 nan 8.210 nan 0.000 0.487 479 K N 1.145 121.222 120.400 -0.540 0.000 3.071 479 K HA -0.194 4.127 4.320 0.002 0.000 0.265 479 K C 0.229 176.387 176.600 -0.737 0.000 1.060 479 K CA 0.482 56.160 56.287 -1.015 0.000 0.767 479 K CB -1.332 30.867 32.500 -0.502 0.000 1.241 479 K HN 0.382 nan 8.250 nan 0.000 0.486 480 L N -2.750 118.147 121.223 -0.544 0.000 5.081 480 L HA -0.246 4.095 4.340 0.002 0.000 0.423 480 L C 0.122 176.889 176.870 -0.171 0.000 1.019 480 L CA 1.812 56.481 54.840 -0.286 0.000 1.223 480 L CB -1.490 40.447 42.059 -0.204 0.000 1.940 480 L HN 0.366 nan 8.230 nan 0.000 0.675 481 K N 0.457 120.754 120.400 -0.172 0.000 2.405 481 K HA 0.182 4.503 4.320 0.002 0.000 0.276 481 K C -0.606 175.944 176.600 -0.084 0.000 1.099 481 K CA 0.333 56.557 56.287 -0.106 0.000 1.120 481 K CB 0.061 32.504 32.500 -0.096 0.000 0.877 481 K HN 0.312 nan 8.250 nan 0.000 0.472 482 P HA -0.155 nan 4.420 nan 0.000 0.231 482 P C 0.337 177.611 177.300 -0.044 0.000 1.154 482 P CA 1.808 64.878 63.100 -0.049 0.000 0.762 482 P CB -0.339 31.341 31.700 -0.034 0.000 0.790 483 Q N 0.000 119.772 119.800 -0.047 0.000 2.315 483 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 483 Q CA 0.000 55.778 55.803 -0.041 0.000 1.022 483 Q CB 0.000 28.714 28.738 -0.039 0.000 1.108 483 Q HN 0.000 nan 8.270 nan 0.000 0.481