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 3k58_1_A DATA FIRST_RESID -1 DATA SEQUENCE PHMAQAGFIL TRHWRDTPQG TEVSFWLATD NGPLQVTLAP QESVAFIPAD DATA SEQUENCE QVPRAQHILQ GEQGFRLTPL ALKDFHRQPV YGLYCRAHRQ LMNYEKRLRE DATA SEQUENCE GGVTVYEADV RPPERYLMER FITSPVWVEG DMHNGTIVNA RLKPHPDYRP DATA SEQUENCE PLKWVSIDIE TTRHGELYCI GLEGCGQRIV YMLGPENGDA SSLDFELEYV DATA SEQUENCE ASRPQLLEKL NAWFANYDPD VIIGWNVVQF DLRMLQKHAE RYRLPLRLGR DATA SEQUENCE DNSELEWREH GFKNGVFFAQ AKGRLIIDGI EALKSAFWNF SSFSLETVAQ DATA SEQUENCE ELLGEGKSXX NPWDRMDEID RRFAEDKPAL ATYNLKNCEL VTQIFHKTEI DATA SEQUENCE MPFLLERATV NGLPVDRHGG SVAAFGHLYF PRMHRAGYVA PNLGEVPPHA DATA SEQUENCE SPGGYVMDSR PGLYDSVLVL DYKSLYPSII RTFLIDPVGL VEGMAQPDPE DATA SEQUENCE HSTEGFLDAW FSREKHCLPE IVTNIWHGRD EAKRQGNKPL SQALKIIMNA DATA SEQUENCE FYGVLGTTAC RFFDPRLASS ITMRGHQIMR QTKALIEAQG YDVIYGDTDS DATA SEQUENCE TFVWLKGAHS EEEAAKIGRA LVQHVNAWWA ETLQKQRLTS ALELEYETHF DATA SEQUENCE CRFLMPTIRG ADTGSKKRYA GLIQEGDKQR MVFKGLETVR TDWTPLAQQF DATA SEQUENCE QQELYLRIFR NEPYQEYVRE TIDKLMAGEL DARLVYRKRL RRPLSEYQRN DATA SEQUENCE VPPHVRAARL ADEENQKRGR PLQYQNRGTI KYVWTTNGPE PLDYQRSPLD DATA SEQUENCE YEHYLTRQLQ PVAEGILPFI EDNFATLMTG XXXLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 P HA 0.000 nan 4.420 nan 0.000 0.216 -1 P C 0.000 177.346 177.300 0.076 0.000 1.155 -1 P CA 0.000 63.141 63.100 0.069 0.000 0.800 -1 P CB 0.000 31.732 31.700 0.053 0.000 0.726 0 H N 2.594 121.674 119.070 0.017 0.000 2.771 0 H HA 0.507 4.283 4.556 -1.300 0.000 0.364 0 H C -0.542 174.798 175.328 0.021 0.000 1.133 0 H CA 0.477 56.535 56.048 0.017 0.000 1.423 0 H CB 1.232 30.999 29.762 0.010 0.000 1.425 0 H HN 0.535 nan 8.280 nan 0.000 0.606 1 M N 2.803 122.314 119.600 -0.149 0.000 2.325 1 M HA 0.464 4.164 4.480 -1.300 0.000 0.285 1 M C -2.090 174.203 176.300 -0.011 0.000 1.119 1 M CA -0.411 54.877 55.300 -0.020 0.000 0.959 1 M CB 1.642 34.221 32.600 -0.036 0.000 1.737 1 M HN 0.499 nan 8.290 nan 0.000 0.486 2 A N 3.933 126.798 122.820 0.075 0.000 2.331 2 A HA 0.862 4.402 4.320 -1.300 0.000 0.320 2 A C -1.217 176.462 177.584 0.159 0.000 1.138 2 A CA -0.414 51.686 52.037 0.105 0.000 0.790 2 A CB 1.638 20.684 19.000 0.077 0.000 1.206 2 A HN 0.856 nan 8.150 nan 0.000 0.470 3 Q N 0.836 120.778 119.800 0.236 0.000 2.435 3 Q HA 0.638 4.198 4.340 -1.300 0.000 0.282 3 Q C -1.006 175.128 176.000 0.224 0.000 1.020 3 Q CA -0.652 55.290 55.803 0.232 0.000 0.820 3 Q CB 2.232 31.020 28.738 0.083 0.000 1.436 3 Q HN 1.182 nan 8.270 nan 0.000 0.395 4 A N 0.909 123.679 122.820 -0.083 0.000 2.316 4 A HA 0.896 4.436 4.320 -1.300 0.000 0.284 4 A C -0.111 176.990 177.584 -0.804 0.000 1.115 4 A CA 0.501 52.124 52.037 -0.689 0.000 0.812 4 A CB 0.942 19.247 19.000 -1.158 0.000 1.064 4 A HN 0.735 nan 8.150 nan 0.000 0.489 5 G N -0.740 107.617 108.800 -0.738 0.000 2.649 5 G HA2 0.556 3.736 3.960 -1.300 0.000 0.290 5 G HA3 0.556 3.736 3.960 -1.300 0.000 0.290 5 G C -1.816 173.126 174.900 0.070 0.000 1.426 5 G CA -0.461 44.450 45.100 -0.315 0.000 0.794 5 G HN 0.781 nan 8.290 nan 0.000 0.483 6 F N 0.920 120.968 119.950 0.164 0.000 2.507 6 F HA 0.592 4.340 4.527 -1.300 0.000 0.328 6 F C 0.234 176.112 175.800 0.129 0.000 1.136 6 F CA -0.957 57.142 58.000 0.166 0.000 0.930 6 F CB 1.337 40.453 39.000 0.194 0.000 1.166 6 F HN 0.340 nan 8.300 nan 0.000 0.436 7 I N 7.327 127.866 120.570 -0.052 0.000 2.668 7 I HA -0.057 3.333 4.170 -1.300 0.000 0.285 7 I C 0.598 176.872 176.117 0.261 0.000 1.168 7 I CA 0.521 61.877 61.300 0.094 0.000 1.424 7 I CB 0.716 38.692 38.000 -0.040 0.000 1.377 7 I HN 0.776 nan 8.210 nan 0.000 0.560 8 L N 4.514 125.931 121.223 0.324 0.000 2.356 8 L HA 0.143 3.703 4.340 -1.300 0.000 0.193 8 L C 0.935 177.939 176.870 0.223 0.000 1.087 8 L CA 0.590 55.608 54.840 0.296 0.000 0.817 8 L CB -0.067 42.167 42.059 0.292 0.000 1.035 8 L HN 0.727 nan 8.230 nan 0.000 0.482 9 T N -1.262 113.462 114.554 0.283 0.000 2.907 9 T HA 0.647 4.217 4.350 -1.300 0.000 0.292 9 T C -0.549 174.246 174.700 0.159 0.000 1.043 9 T CA -0.793 61.405 62.100 0.162 0.000 1.003 9 T CB 2.667 71.634 68.868 0.165 0.000 1.084 9 T HN 0.015 nan 8.240 nan 0.000 0.483 10 R N 0.777 121.170 120.500 -0.178 0.000 2.670 10 R HA 0.738 4.298 4.340 -1.300 0.000 0.289 10 R C -1.130 174.787 176.300 -0.638 0.000 0.965 10 R CA -0.835 55.155 56.100 -0.183 0.000 0.899 10 R CB 1.562 31.904 30.300 0.070 0.000 1.173 10 R HN 0.774 nan 8.270 nan 0.000 0.456 11 H N 0.928 119.914 119.070 -0.140 0.000 3.012 11 H HA 0.531 4.307 4.556 -1.299 0.000 0.367 11 H C -1.201 174.114 175.328 -0.023 0.000 1.211 11 H CA -0.805 55.198 56.048 -0.076 0.000 1.139 11 H CB 1.855 31.589 29.762 -0.047 0.000 1.838 11 H HN 0.653 nan 8.280 nan 0.000 0.550 12 W N 1.134 122.423 121.300 -0.017 0.000 3.213 12 W HA 0.685 4.566 4.660 -1.299 0.000 0.318 12 W C -1.876 174.632 176.519 -0.018 0.000 1.248 12 W CA -1.081 56.227 57.345 -0.061 0.000 1.187 12 W CB 1.970 31.362 29.460 -0.112 0.000 1.403 12 W HN 0.845 nan 8.180 nan 0.000 0.556 13 R N 1.129 121.740 120.500 0.185 0.000 2.579 13 R HA 0.293 3.853 4.340 -1.300 0.000 0.260 13 R C -1.495 174.937 176.300 0.221 0.000 1.103 13 R CA -0.698 55.409 56.100 0.012 0.000 0.942 13 R CB 1.735 31.968 30.300 -0.110 0.000 1.251 13 R HN 0.174 nan 8.270 nan 0.000 0.450 14 D N 2.416 122.969 120.400 0.255 0.000 2.382 14 D HA 0.281 4.141 4.640 -1.300 0.000 0.245 14 D C 0.009 176.373 176.300 0.106 0.000 1.120 14 D CA 0.643 54.772 54.000 0.214 0.000 0.890 14 D CB 1.816 42.753 40.800 0.228 0.000 1.201 14 D HN 0.681 nan 8.370 nan 0.000 0.433 15 T N -1.890 112.716 114.554 0.087 0.000 2.841 15 T HA 0.458 4.028 4.350 -1.300 0.000 0.296 15 T C -2.287 172.444 174.700 0.051 0.000 1.166 15 T CA -1.507 60.626 62.100 0.055 0.000 1.007 15 T CB 1.788 70.682 68.868 0.043 0.000 1.253 15 T HN -0.099 nan 8.240 nan 0.000 0.511 16 P HA -0.021 nan 4.420 nan 0.000 0.218 16 P C 1.067 178.389 177.300 0.037 0.000 1.148 16 P CA 1.051 64.173 63.100 0.037 0.000 0.822 16 P CB -0.018 31.700 31.700 0.029 0.000 0.784 17 Q N -0.860 118.960 119.800 0.034 0.000 2.482 17 Q HA 0.348 3.908 4.340 -1.300 0.000 0.209 17 Q C 1.005 177.027 176.000 0.037 0.000 0.961 17 Q CA 0.681 56.502 55.803 0.031 0.000 0.945 17 Q CB -0.285 28.467 28.738 0.024 0.000 1.012 17 Q HN 0.256 nan 8.270 nan 0.000 0.515 18 G N -1.232 107.597 108.800 0.048 0.000 2.381 18 G HA2 -0.109 3.071 3.960 -1.300 0.000 0.672 18 G HA3 -0.109 3.071 3.960 -1.300 0.000 0.672 18 G C -0.834 174.110 174.900 0.073 0.000 1.324 18 G CA -0.872 44.263 45.100 0.058 0.000 0.975 18 G HN -0.101 nan 8.290 nan 0.000 0.593 19 T N 1.690 116.296 114.554 0.086 0.000 2.779 19 T HA 0.408 3.978 4.350 -1.300 0.000 0.296 19 T C 0.424 175.180 174.700 0.094 0.000 0.938 19 T CA 0.255 62.429 62.100 0.122 0.000 1.119 19 T CB 0.963 69.903 68.868 0.119 0.000 0.891 19 T HN 0.474 nan 8.240 nan 0.000 0.526 20 E N 2.439 122.703 120.200 0.106 0.000 2.229 20 E HA 0.359 3.929 4.350 -1.300 0.000 0.283 20 E C -0.797 175.840 176.600 0.061 0.000 1.030 20 E CA -0.398 56.036 56.400 0.058 0.000 0.836 20 E CB 0.959 30.684 29.700 0.041 0.000 1.068 20 E HN 0.294 nan 8.360 nan 0.000 0.401 21 V N 3.310 123.211 119.914 -0.022 0.000 2.540 21 V HA 0.363 3.703 4.120 -1.300 0.000 0.302 21 V C -0.180 175.777 176.094 -0.228 0.000 1.035 21 V CA -0.501 61.731 62.300 -0.113 0.000 0.873 21 V CB 1.664 33.395 31.823 -0.154 0.000 0.992 21 V HN 0.767 nan 8.190 nan 0.000 0.428 22 S N 3.936 119.424 115.700 -0.353 0.000 2.627 22 S HA 0.913 4.603 4.470 -1.300 0.000 0.283 22 S C -1.309 172.951 174.600 -0.566 0.000 1.127 22 S CA -0.673 57.333 58.200 -0.323 0.000 0.863 22 S CB 2.213 65.334 63.200 -0.131 0.000 1.121 22 S HN 0.310 nan 8.310 nan 0.000 0.479 23 F N -0.666 119.325 119.950 0.068 0.000 2.613 23 F HA 0.628 4.375 4.527 -1.300 0.000 0.310 23 F C -1.349 174.481 175.800 0.051 0.000 1.085 23 F CA -0.724 57.372 58.000 0.159 0.000 0.945 23 F CB 1.531 40.589 39.000 0.097 0.000 1.298 23 F HN 0.637 nan 8.300 nan 0.000 0.455 24 W N 3.811 125.317 121.300 0.343 0.000 2.475 24 W HA 0.772 4.651 4.660 -1.301 0.000 0.317 24 W C -1.220 175.433 176.519 0.223 0.000 1.046 24 W CA -0.472 57.014 57.345 0.234 0.000 1.215 24 W CB 1.408 30.993 29.460 0.208 0.000 1.335 24 W HN 0.164 nan 8.180 nan 0.000 0.471 25 L N 3.476 124.896 121.223 0.330 0.000 2.342 25 L HA 0.824 4.384 4.340 -1.300 0.000 0.271 25 L C 0.262 177.301 176.870 0.282 0.000 1.008 25 L CA -1.441 53.562 54.840 0.271 0.000 0.818 25 L CB 1.457 43.607 42.059 0.152 0.000 1.296 25 L HN 0.433 nan 8.230 nan 0.000 0.427 26 A N 1.407 124.413 122.820 0.309 0.000 2.289 26 A HA 0.695 4.235 4.320 -1.300 0.000 0.298 26 A C 0.063 177.816 177.584 0.282 0.000 1.208 26 A CA -0.246 51.958 52.037 0.279 0.000 0.845 26 A CB 0.632 19.792 19.000 0.266 0.000 1.125 26 A HN 0.773 nan 8.150 nan 0.000 0.517 27 T N -1.261 113.422 114.554 0.215 0.000 2.864 27 T HA 0.443 4.013 4.350 -1.300 0.000 0.289 27 T C 0.076 174.894 174.700 0.197 0.000 1.082 27 T CA -0.429 61.783 62.100 0.187 0.000 1.009 27 T CB 1.203 70.111 68.868 0.067 0.000 1.234 27 T HN 0.293 nan 8.240 nan 0.000 0.526 28 D N 0.353 120.869 120.400 0.192 0.000 2.218 28 D HA -0.033 3.827 4.640 -1.300 0.000 0.204 28 D C 1.059 177.421 176.300 0.103 0.000 0.976 28 D CA 1.287 55.383 54.000 0.160 0.000 0.853 28 D CB -0.243 40.649 40.800 0.152 0.000 0.939 28 D HN 0.651 nan 8.370 nan 0.000 0.481 29 N N -0.373 118.380 118.700 0.089 0.000 2.279 29 N HA 0.378 4.338 4.740 -1.300 0.000 0.226 29 N C 0.401 175.956 175.510 0.075 0.000 1.126 29 N CA 0.128 53.220 53.050 0.070 0.000 0.846 29 N CB 1.301 39.823 38.487 0.057 0.000 1.050 29 N HN 0.109 nan 8.380 nan 0.000 0.502 30 G N 1.285 110.141 108.800 0.094 0.000 2.549 30 G HA2 -0.167 3.013 3.960 -1.300 0.000 0.404 30 G HA3 -0.167 3.013 3.960 -1.300 0.000 0.404 30 G C -2.971 172.012 174.900 0.138 0.000 1.292 30 G CA -1.191 43.972 45.100 0.106 0.000 0.935 30 G HN -0.033 nan 8.290 nan 0.000 0.512 31 P HA 0.464 nan 4.420 nan 0.000 0.268 31 P C -0.653 176.769 177.300 0.202 0.000 1.205 31 P CA 0.120 63.374 63.100 0.256 0.000 0.771 31 P CB 1.470 33.379 31.700 0.348 0.000 0.858 32 L N 2.397 123.717 121.223 0.162 0.000 2.441 32 L HA 0.371 3.931 4.340 -1.300 0.000 0.270 32 L C -0.291 176.442 176.870 -0.228 0.000 0.973 32 L CA -0.608 54.226 54.840 -0.010 0.000 0.842 32 L CB 1.863 43.925 42.059 0.005 0.000 1.239 32 L HN 0.340 nan 8.230 nan 0.000 0.406 33 Q N 3.215 122.664 119.800 -0.584 0.000 2.288 33 Q HA 0.612 4.172 4.340 -1.300 0.000 0.254 33 Q C -1.613 174.128 176.000 -0.432 0.000 0.932 33 Q CA -0.458 54.749 55.803 -0.992 0.000 0.902 33 Q CB 1.452 29.351 28.738 -1.399 0.000 1.203 33 Q HN 0.635 nan 8.270 nan 0.000 0.415 34 V N 3.489 123.225 119.914 -0.296 0.000 2.531 34 V HA 0.418 3.758 4.120 -1.300 0.000 0.301 34 V C -0.652 175.412 176.094 -0.049 0.000 1.034 34 V CA -0.560 61.686 62.300 -0.090 0.000 0.865 34 V CB 2.259 34.106 31.823 0.040 0.000 0.995 34 V HN 0.867 nan 8.190 nan 0.000 0.424 35 T N 6.090 120.615 114.554 -0.048 0.000 2.841 35 T HA 0.656 4.226 4.350 -1.300 0.000 0.283 35 T C -0.271 174.411 174.700 -0.030 0.000 1.000 35 T CA -0.382 61.690 62.100 -0.047 0.000 0.977 35 T CB 1.301 70.135 68.868 -0.058 0.000 0.979 35 T HN 0.329 nan 8.240 nan 0.000 0.446 36 L N 1.677 122.867 121.223 -0.055 0.000 2.431 36 L HA 0.740 4.300 4.340 -1.300 0.000 0.260 36 L C 0.993 177.836 176.870 -0.045 0.000 1.098 36 L CA -1.217 53.577 54.840 -0.077 0.000 0.800 36 L CB 0.450 42.390 42.059 -0.199 0.000 1.210 36 L HN 0.677 nan 8.230 nan 0.000 0.465 37 A N 0.814 123.618 122.820 -0.025 0.000 2.313 37 A HA 0.492 4.032 4.320 -1.300 0.000 0.261 37 A C -2.303 175.281 177.584 -0.000 0.000 1.090 37 A CA -1.238 50.798 52.037 -0.003 0.000 0.807 37 A CB -0.585 18.425 19.000 0.017 0.000 1.055 37 A HN 0.452 nan 8.150 nan 0.000 0.492 38 P HA 0.065 nan 4.420 nan 0.000 0.263 38 P C -0.873 176.448 177.300 0.036 0.000 1.175 38 P CA 0.525 63.640 63.100 0.026 0.000 0.761 38 P CB 0.299 32.018 31.700 0.032 0.000 0.794 39 Q N 2.111 121.935 119.800 0.040 0.000 2.333 39 Q HA 0.281 3.841 4.340 -1.300 0.000 0.267 39 Q C -0.076 175.965 176.000 0.069 0.000 1.012 39 Q CA -0.515 55.323 55.803 0.059 0.000 0.824 39 Q CB 1.990 30.756 28.738 0.048 0.000 1.290 39 Q HN 0.482 nan 8.270 nan 0.000 0.449 40 E N 0.854 121.113 120.200 0.098 0.000 2.383 40 E HA 0.236 3.806 4.350 -1.300 0.000 0.264 40 E C -0.502 176.164 176.600 0.110 0.000 1.050 40 E CA 0.009 56.483 56.400 0.124 0.000 0.896 40 E CB 0.937 30.753 29.700 0.193 0.000 0.982 40 E HN 0.341 nan 8.360 nan 0.000 0.424 41 S N 1.176 116.926 115.700 0.084 0.000 2.541 41 S HA 0.381 4.071 4.470 -1.300 0.000 0.283 41 S C -0.792 173.784 174.600 -0.040 0.000 1.196 41 S CA -0.679 57.550 58.200 0.048 0.000 1.062 41 S CB 1.579 64.836 63.200 0.096 0.000 1.009 41 S HN 0.287 nan 8.310 nan 0.000 0.502 42 V N 2.058 121.886 119.914 -0.142 0.000 2.789 42 V HA 0.946 4.286 4.120 -1.300 0.000 0.311 42 V C -0.638 175.152 176.094 -0.507 0.000 1.073 42 V CA -0.352 61.687 62.300 -0.435 0.000 0.921 42 V CB 1.669 33.128 31.823 -0.607 0.000 1.009 42 V HN 1.056 nan 8.190 nan 0.000 0.426 43 A N 4.801 127.207 122.820 -0.690 0.000 2.564 43 A HA 0.980 4.520 4.320 -1.300 0.000 0.288 43 A C -1.755 175.332 177.584 -0.829 0.000 1.164 43 A CA -0.571 51.116 52.037 -0.584 0.000 0.712 43 A CB 1.701 20.575 19.000 -0.211 0.000 1.303 43 A HN 0.757 nan 8.150 nan 0.000 0.418 44 F N -0.533 119.470 119.950 0.089 0.000 2.563 44 F HA 0.761 4.510 4.527 -1.296 0.000 0.316 44 F C -0.140 175.767 175.800 0.178 0.000 1.076 44 F CA -0.521 57.572 58.000 0.156 0.000 0.921 44 F CB 2.026 41.165 39.000 0.232 0.000 1.209 44 F HN 0.327 nan 8.300 nan 0.000 0.462 45 I N 2.815 123.595 120.570 0.350 0.000 2.582 45 I HA 0.383 3.773 4.170 -1.300 0.000 0.292 45 I C -2.642 173.634 176.117 0.266 0.000 1.066 45 I CA -2.427 58.992 61.300 0.198 0.000 1.053 45 I CB 2.767 40.818 38.000 0.086 0.000 1.241 45 I HN 0.255 nan 8.210 nan 0.000 0.421 46 P HA 0.044 nan 4.420 nan 0.000 0.268 46 P C 0.298 177.679 177.300 0.135 0.000 1.205 46 P CA 0.052 63.285 63.100 0.222 0.000 0.771 46 P CB 0.928 32.727 31.700 0.165 0.000 0.858 47 A N 4.037 126.973 122.820 0.192 0.000 1.940 47 A HA -0.215 3.325 4.320 -1.300 0.000 0.219 47 A C 1.614 179.163 177.584 -0.058 0.000 1.176 47 A CA 2.034 54.131 52.037 0.100 0.000 0.631 47 A CB -1.213 17.991 19.000 0.340 0.000 0.814 47 A HN 0.637 nan 8.150 nan 0.000 0.446 48 D N -0.462 119.939 120.400 0.003 0.000 2.371 48 D HA -0.142 3.718 4.640 -1.300 0.000 0.221 48 D C 1.401 177.660 176.300 -0.069 0.000 0.986 48 D CA 0.974 54.956 54.000 -0.030 0.000 0.899 48 D CB -0.511 40.288 40.800 -0.002 0.000 0.902 48 D HN 0.648 nan 8.370 nan 0.000 0.530 49 Q N -0.078 119.675 119.800 -0.077 0.000 2.282 49 Q HA 0.155 3.715 4.340 -1.300 0.000 0.206 49 Q C 1.927 177.848 176.000 -0.133 0.000 0.878 49 Q CA -0.139 55.607 55.803 -0.096 0.000 0.944 49 Q CB 1.019 29.713 28.738 -0.073 0.000 1.100 49 Q HN 0.137 nan 8.270 nan 0.000 0.509 50 V N 1.752 121.550 119.914 -0.193 0.000 2.343 50 V HA -0.183 3.157 4.120 -1.300 0.000 0.247 50 V C -0.772 175.220 176.094 -0.170 0.000 1.051 50 V CA 1.893 64.046 62.300 -0.245 0.000 1.036 50 V CB -1.194 30.309 31.823 -0.533 0.000 0.654 50 V HN 0.218 nan 8.190 nan 0.000 0.451 51 P HA -0.167 nan 4.420 nan 0.000 0.216 51 P C 1.780 178.944 177.300 -0.227 0.000 1.153 51 P CA 1.463 64.469 63.100 -0.157 0.000 0.848 51 P CB -0.099 31.499 31.700 -0.171 0.000 0.787 52 R N -0.104 120.256 120.500 -0.235 0.000 2.096 52 R HA -0.083 3.477 4.340 -1.300 0.000 0.235 52 R C 2.033 178.273 176.300 -0.100 0.000 1.127 52 R CA 1.615 57.581 56.100 -0.224 0.000 0.968 52 R CB -0.835 29.367 30.300 -0.163 0.000 0.861 52 R HN 0.032 nan 8.270 nan 0.000 0.440 53 A N 0.759 123.524 122.820 -0.091 0.000 1.902 53 A HA -0.164 3.376 4.320 -1.300 0.000 0.217 53 A C 2.027 179.592 177.584 -0.031 0.000 1.181 53 A CA 1.184 53.178 52.037 -0.072 0.000 0.623 53 A CB -0.373 18.585 19.000 -0.070 0.000 0.818 53 A HN 0.391 nan 8.150 nan 0.000 0.443 54 Q N -0.516 119.299 119.800 0.025 0.000 2.124 54 Q HA -0.172 3.388 4.340 -1.300 0.000 0.202 54 Q C 1.855 177.936 176.000 0.136 0.000 0.977 54 Q CA 1.601 57.465 55.803 0.102 0.000 0.850 54 Q CB -0.567 28.242 28.738 0.119 0.000 0.901 54 Q HN 0.865 nan 8.270 nan 0.000 0.429 55 H N -0.024 119.021 119.070 -0.042 0.000 2.321 55 H HA -0.021 3.756 4.556 -1.299 0.000 0.300 55 H C 2.201 177.490 175.328 -0.065 0.000 1.087 55 H CA 0.895 56.917 56.048 -0.044 0.000 1.319 55 H CB 0.164 29.901 29.762 -0.042 0.000 1.379 55 H HN 0.169 nan 8.280 nan 0.000 0.501 56 I N 0.852 121.450 120.570 0.048 0.000 2.394 56 I HA -0.224 3.166 4.170 -1.300 0.000 0.251 56 I C 1.531 177.568 176.117 -0.132 0.000 1.136 56 I CA 0.970 62.240 61.300 -0.049 0.000 1.425 56 I CB 0.059 38.011 38.000 -0.080 0.000 1.079 56 I HN 0.191 nan 8.210 nan 0.000 0.425 57 L N 0.312 121.430 121.223 -0.176 0.000 2.653 57 L HA 0.087 3.647 4.340 -1.300 0.000 0.231 57 L C 0.755 177.555 176.870 -0.115 0.000 1.153 57 L CA -0.330 54.327 54.840 -0.306 0.000 0.933 57 L CB -0.307 41.402 42.059 -0.584 0.000 1.175 57 L HN 0.181 nan 8.230 nan 0.000 0.473 58 Q N 1.219 120.989 119.800 -0.050 0.000 2.286 58 Q HA 0.207 3.767 4.340 -1.300 0.000 0.290 58 Q C 1.167 177.161 176.000 -0.010 0.000 1.049 58 Q CA 1.352 57.147 55.803 -0.014 0.000 0.923 58 Q CB 0.575 29.279 28.738 -0.056 0.000 1.183 58 Q HN 0.378 nan 8.270 nan 0.000 0.383 59 G N 2.912 111.730 108.800 0.029 0.000 2.194 59 G HA2 -0.193 2.987 3.960 -1.300 0.000 0.236 59 G HA3 -0.193 2.987 3.960 -1.300 0.000 0.236 59 G C -0.176 174.766 174.900 0.070 0.000 0.987 59 G CA 0.115 45.236 45.100 0.035 0.000 0.635 59 G HN 0.597 nan 8.290 nan 0.000 0.520 60 E N 0.258 120.517 120.200 0.100 0.000 2.318 60 E HA 0.655 4.225 4.350 -1.300 0.000 0.265 60 E C 0.186 176.989 176.600 0.338 0.000 1.069 60 E CA -0.019 56.484 56.400 0.172 0.000 0.893 60 E CB 1.209 30.905 29.700 -0.007 0.000 1.076 60 E HN 0.388 nan 8.360 nan 0.000 0.414 61 Q N -1.385 118.616 119.800 0.335 0.000 2.528 61 Q HA 0.549 4.109 4.340 -1.300 0.000 0.289 61 Q C -0.101 176.108 176.000 0.349 0.000 1.091 61 Q CA -0.067 55.900 55.803 0.274 0.000 0.797 61 Q CB 2.104 30.930 28.738 0.148 0.000 1.466 61 Q HN 0.706 nan 8.270 nan 0.000 0.436 62 G N 0.644 109.575 108.800 0.219 0.000 2.182 62 G HA2 -0.207 2.973 3.960 -1.300 0.000 0.248 62 G HA3 -0.207 2.973 3.960 -1.300 0.000 0.248 62 G C -0.520 174.576 174.900 0.325 0.000 1.042 62 G CA 0.711 45.936 45.100 0.207 0.000 0.775 62 G HN 0.679 nan 8.290 nan 0.000 0.501 63 F N -1.577 118.454 119.950 0.134 0.000 2.686 63 F HA 0.899 4.646 4.527 -1.300 0.000 0.311 63 F C -0.621 175.261 175.800 0.136 0.000 1.128 63 F CA -1.343 56.758 58.000 0.168 0.000 0.946 63 F CB 1.125 40.289 39.000 0.273 0.000 1.336 63 F HN 0.431 nan 8.300 nan 0.000 0.457 64 R N 2.382 122.940 120.500 0.097 0.000 2.774 64 R HA 0.806 4.366 4.340 -1.300 0.000 0.272 64 R C -2.453 174.016 176.300 0.280 0.000 1.000 64 R CA -1.131 54.944 56.100 -0.042 0.000 0.906 64 R CB 2.248 32.533 30.300 -0.025 0.000 1.227 64 R HN 0.925 nan 8.270 nan 0.000 0.468 65 L N 2.125 123.484 121.223 0.227 0.000 2.377 65 L HA 0.438 3.998 4.340 -1.300 0.000 0.270 65 L C -0.797 176.290 176.870 0.361 0.000 0.991 65 L CA -0.577 54.475 54.840 0.355 0.000 0.851 65 L CB 2.180 44.439 42.059 0.334 0.000 1.218 65 L HN 0.941 nan 8.230 nan 0.000 0.420 66 T N 2.885 117.646 114.554 0.345 0.000 2.876 66 T HA 0.610 4.180 4.350 -1.300 0.000 0.289 66 T C -2.807 171.837 174.700 -0.094 0.000 1.014 66 T CA -2.159 60.029 62.100 0.146 0.000 0.986 66 T CB 2.283 71.208 68.868 0.095 0.000 1.021 66 T HN 0.179 nan 8.240 nan 0.000 0.458 67 P HA 0.333 nan 4.420 nan 0.000 0.268 67 P C -0.868 176.279 177.300 -0.256 0.000 1.205 67 P CA -0.274 62.379 63.100 -0.744 0.000 0.771 67 P CB 0.645 31.953 31.700 -0.653 0.000 0.858 68 L N 1.461 122.583 121.223 -0.167 0.000 2.333 68 L HA 0.598 4.158 4.340 -1.300 0.000 0.263 68 L C 0.673 177.505 176.870 -0.063 0.000 1.014 68 L CA -1.302 53.513 54.840 -0.041 0.000 0.820 68 L CB 2.015 44.113 42.059 0.065 0.000 1.352 68 L HN 0.223 nan 8.230 nan 0.000 0.421 69 A N 3.211 125.997 122.820 -0.057 0.000 3.118 69 A HA 0.613 4.153 4.320 -1.300 0.000 0.256 69 A C -0.370 177.147 177.584 -0.112 0.000 1.667 69 A CA 0.085 52.074 52.037 -0.079 0.000 1.338 69 A CB -0.790 18.169 19.000 -0.068 0.000 1.127 69 A HN 0.501 nan 8.150 nan 0.000 0.634 70 L N -0.404 120.748 121.223 -0.118 0.000 2.376 70 L HA 0.578 4.138 4.340 -1.300 0.000 0.258 70 L C -0.246 176.527 176.870 -0.161 0.000 1.013 70 L CA -0.751 53.981 54.840 -0.181 0.000 0.822 70 L CB 2.626 44.564 42.059 -0.202 0.000 1.388 70 L HN 0.293 nan 8.230 nan 0.000 0.413 71 K N 0.162 120.418 120.400 -0.240 0.000 2.443 71 K HA 0.427 3.967 4.320 -1.300 0.000 0.251 71 K C -1.513 175.111 176.600 0.040 0.000 0.972 71 K CA -0.958 55.261 56.287 -0.114 0.000 0.833 71 K CB 2.174 34.545 32.500 -0.215 0.000 1.317 71 K HN 0.628 nan 8.250 nan 0.000 0.441 72 D N -0.432 120.052 120.400 0.140 0.000 2.466 72 D HA 0.077 3.937 4.640 -1.300 0.000 0.262 72 D C 0.542 177.071 176.300 0.381 0.000 1.177 72 D CA -0.404 53.678 54.000 0.137 0.000 1.035 72 D CB 0.258 41.074 40.800 0.027 0.000 1.105 72 D HN 0.276 nan 8.370 nan 0.000 0.551 73 F N -1.139 118.811 119.950 0.000 0.000 2.641 73 F HA 0.013 3.760 4.527 -1.300 0.000 0.298 73 F C 1.421 177.132 175.800 -0.148 0.000 1.146 73 F CA 0.585 58.528 58.000 -0.096 0.000 1.464 73 F CB -0.582 38.314 39.000 -0.173 0.000 1.101 73 F HN 0.415 nan 8.300 nan 0.000 0.585 74 H N -0.869 118.333 119.070 0.220 0.000 2.529 74 H HA 0.280 4.063 4.556 -1.288 0.000 0.277 74 H C 0.636 176.041 175.328 0.128 0.000 1.004 74 H CA -0.062 56.078 56.048 0.152 0.000 1.167 74 H CB 0.063 29.917 29.762 0.154 0.000 1.445 74 H HN -0.031 nan 8.280 nan 0.000 0.554 75 R N -0.381 120.259 120.500 0.233 0.000 3.878 75 R HA -0.212 3.348 4.340 -1.300 0.000 0.330 75 R C -0.163 176.223 176.300 0.143 0.000 1.186 75 R CA 0.446 56.659 56.100 0.190 0.000 0.885 75 R CB -1.608 28.767 30.300 0.126 0.000 1.377 75 R HN 0.305 nan 8.270 nan 0.000 0.523 76 Q N 1.258 121.165 119.800 0.179 0.000 2.274 76 Q HA 0.330 3.890 4.340 -1.300 0.000 0.256 76 Q C -2.425 173.655 176.000 0.133 0.000 0.927 76 Q CA -2.362 53.530 55.803 0.149 0.000 0.939 76 Q CB 1.148 29.992 28.738 0.175 0.000 1.201 76 Q HN -0.138 nan 8.270 nan 0.000 0.426 77 P HA -0.021 nan 4.420 nan 0.000 0.267 77 P C -1.133 176.276 177.300 0.181 0.000 1.200 77 P CA -0.091 63.066 63.100 0.095 0.000 0.772 77 P CB 0.589 32.341 31.700 0.087 0.000 0.855 78 V N 0.637 120.656 119.914 0.175 0.000 2.960 78 V HA 0.575 3.915 4.120 -1.300 0.000 0.315 78 V C -1.133 175.154 176.094 0.322 0.000 1.087 78 V CA -1.055 61.425 62.300 0.300 0.000 0.982 78 V CB 1.660 33.666 31.823 0.304 0.000 1.039 78 V HN 0.344 nan 8.190 nan 0.000 0.437 79 Y N 0.383 120.803 120.300 0.201 0.000 2.409 79 Y HA 0.735 4.504 4.550 -1.301 0.000 0.339 79 Y C 0.971 177.003 175.900 0.221 0.000 1.033 79 Y CA -0.258 57.955 58.100 0.188 0.000 1.094 79 Y CB 2.336 40.880 38.460 0.142 0.000 1.210 79 Y HN 1.013 nan 8.280 nan 0.000 0.456 80 G N 2.960 111.937 108.800 0.296 0.000 2.353 80 G HA2 0.430 3.610 3.960 -1.300 0.000 0.284 80 G HA3 0.430 3.610 3.960 -1.300 0.000 0.284 80 G C -1.677 173.208 174.900 -0.026 0.000 1.172 80 G CA -0.437 44.671 45.100 0.013 0.000 0.854 80 G HN 0.466 nan 8.290 nan 0.000 0.485 81 L N 3.066 124.142 121.223 -0.245 0.000 2.276 81 L HA 0.591 4.151 4.340 -1.300 0.000 0.286 81 L C -1.353 175.403 176.870 -0.191 0.000 1.024 81 L CA -1.179 53.646 54.840 -0.025 0.000 0.826 81 L CB 0.320 42.382 42.059 0.005 0.000 1.211 81 L HN 0.480 nan 8.230 nan 0.000 0.422 82 Y N 3.885 124.250 120.300 0.109 0.000 2.335 82 Y HA 0.576 4.346 4.550 -1.299 0.000 0.338 82 Y C 0.128 176.111 175.900 0.140 0.000 0.977 82 Y CA -0.426 57.717 58.100 0.073 0.000 1.114 82 Y CB 1.550 40.043 38.460 0.056 0.000 1.182 82 Y HN 0.518 nan 8.280 nan 0.000 0.463 83 C N 3.279 122.701 119.300 0.204 0.000 2.561 83 C HA 0.396 4.076 4.460 -1.300 0.000 0.319 83 C C 1.351 176.407 174.990 0.109 0.000 1.198 83 C CA -1.122 57.985 59.018 0.148 0.000 1.665 83 C CB 1.836 29.564 27.740 -0.019 0.000 2.258 83 C HN 0.867 nan 8.230 nan 0.000 0.493 84 R N 1.032 121.594 120.500 0.103 0.000 2.280 84 R HA 0.149 3.709 4.340 -1.300 0.000 0.207 84 R C 0.498 176.835 176.300 0.062 0.000 1.043 84 R CA 0.428 56.577 56.100 0.082 0.000 1.006 84 R CB -0.422 29.926 30.300 0.079 0.000 0.885 84 R HN 0.807 nan 8.270 nan 0.000 0.467 85 A N -0.768 122.070 122.820 0.030 0.000 2.435 85 A HA 0.341 3.881 4.320 -1.300 0.000 0.304 85 A C 0.323 177.907 177.584 -0.000 0.000 1.064 85 A CA -0.658 51.404 52.037 0.043 0.000 0.727 85 A CB 1.211 20.235 19.000 0.040 0.000 1.284 85 A HN 0.209 nan 8.150 nan 0.000 0.415 86 H N 1.017 120.045 119.070 -0.070 0.000 2.395 86 H HA -0.042 3.734 4.556 -1.301 0.000 0.299 86 H C 2.009 177.276 175.328 -0.101 0.000 1.070 86 H CA 1.903 57.834 56.048 -0.194 0.000 1.356 86 H CB 0.222 29.645 29.762 -0.564 0.000 1.401 86 H HN 0.800 nan 8.280 nan 0.000 0.524 87 R N 0.911 121.448 120.500 0.061 0.000 2.096 87 R HA -0.159 3.401 4.340 -1.300 0.000 0.235 87 R C 2.504 178.709 176.300 -0.158 0.000 1.127 87 R CA 1.741 57.850 56.100 0.014 0.000 0.968 87 R CB -0.146 30.217 30.300 0.104 0.000 0.861 87 R HN 0.478 nan 8.270 nan 0.000 0.440 88 Q N 0.428 120.100 119.800 -0.215 0.000 2.084 88 Q HA -0.203 3.357 4.340 -1.300 0.000 0.202 88 Q C 2.106 177.691 176.000 -0.691 0.000 0.978 88 Q CA 1.632 57.166 55.803 -0.449 0.000 0.844 88 Q CB -0.171 28.328 28.738 -0.399 0.000 0.898 88 Q HN 0.350 nan 8.270 nan 0.000 0.426 89 L N 0.453 121.372 121.223 -0.507 0.000 2.083 89 L HA -0.137 3.423 4.340 -1.300 0.000 0.209 89 L C 2.241 178.896 176.870 -0.360 0.000 1.083 89 L CA 1.760 56.337 54.840 -0.438 0.000 0.752 89 L CB -0.364 41.460 42.059 -0.392 0.000 0.899 89 L HN 0.339 nan 8.230 nan 0.000 0.433 90 M N -0.646 118.720 119.600 -0.390 0.000 2.117 90 M HA -0.196 3.504 4.480 -1.300 0.000 0.262 90 M C 1.872 178.092 176.300 -0.133 0.000 1.065 90 M CA 1.608 56.762 55.300 -0.243 0.000 1.114 90 M CB -0.495 31.992 32.600 -0.188 0.000 1.361 90 M HN 0.333 nan 8.290 nan 0.000 0.408 91 N N -0.328 118.286 118.700 -0.144 0.000 2.142 91 N HA -0.138 3.822 4.740 -1.300 0.000 0.186 91 N C 1.540 177.090 175.510 0.066 0.000 1.023 91 N CA 1.337 54.361 53.050 -0.044 0.000 0.852 91 N CB -0.495 37.969 38.487 -0.039 0.000 0.998 91 N HN 0.343 nan 8.380 nan 0.000 0.424 92 Y N 1.754 121.977 120.300 -0.128 0.000 2.224 92 Y HA -0.047 3.722 4.550 -1.301 0.000 0.289 92 Y C 2.455 178.275 175.900 -0.134 0.000 1.146 92 Y CA 0.359 58.367 58.100 -0.155 0.000 1.182 92 Y CB -0.784 37.546 38.460 -0.216 0.000 0.983 92 Y HN 0.174 nan 8.280 nan 0.000 0.524 93 E N 1.160 121.382 120.200 0.036 0.000 2.051 93 E HA -0.230 3.340 4.350 -1.300 0.000 0.192 93 E C 2.192 178.779 176.600 -0.021 0.000 0.991 93 E CA 1.299 57.687 56.400 -0.019 0.000 0.799 93 E CB -0.095 29.575 29.700 -0.050 0.000 0.748 93 E HN 0.444 nan 8.360 nan 0.000 0.449 94 K N 0.298 120.691 120.400 -0.012 0.000 2.026 94 K HA -0.157 3.383 4.320 -1.300 0.000 0.208 94 K C 2.450 179.042 176.600 -0.013 0.000 1.048 94 K CA 1.337 57.617 56.287 -0.011 0.000 0.929 94 K CB -0.027 32.471 32.500 -0.004 0.000 0.713 94 K HN -0.015 nan 8.250 nan 0.000 0.439 95 R N 0.335 120.832 120.500 -0.004 0.000 2.073 95 R HA -0.095 3.465 4.340 -1.300 0.000 0.234 95 R C 2.449 178.722 176.300 -0.045 0.000 1.134 95 R CA 1.608 57.695 56.100 -0.021 0.000 0.952 95 R CB -0.333 29.954 30.300 -0.021 0.000 0.850 95 R HN 0.189 nan 8.270 nan 0.000 0.433 96 L N -0.056 121.133 121.223 -0.056 0.000 2.027 96 L HA -0.160 3.400 4.340 -1.300 0.000 0.206 96 L C 2.772 179.602 176.870 -0.066 0.000 1.074 96 L CA 1.411 56.207 54.840 -0.074 0.000 0.745 96 L CB -0.418 41.590 42.059 -0.086 0.000 0.898 96 L HN 0.172 nan 8.230 nan 0.000 0.433 97 R N 0.531 120.995 120.500 -0.059 0.000 2.073 97 R HA -0.198 3.362 4.340 -1.300 0.000 0.234 97 R C 2.121 178.393 176.300 -0.047 0.000 1.134 97 R CA 1.739 57.803 56.100 -0.060 0.000 0.952 97 R CB -0.177 30.091 30.300 -0.052 0.000 0.850 97 R HN 0.356 nan 8.270 nan 0.000 0.433 98 E N -0.785 119.393 120.200 -0.037 0.000 2.160 98 E HA -0.136 3.434 4.350 -1.300 0.000 0.195 98 E C 1.550 178.130 176.600 -0.033 0.000 0.991 98 E CA 1.141 57.523 56.400 -0.029 0.000 0.810 98 E CB -0.152 29.535 29.700 -0.022 0.000 0.742 98 E HN 0.619 nan 8.360 nan 0.000 0.466 99 G N -0.684 108.092 108.800 -0.039 0.000 3.026 99 G HA2 0.125 3.305 3.960 -1.300 0.000 0.208 99 G HA3 0.125 3.305 3.960 -1.300 0.000 0.208 99 G C 0.947 175.819 174.900 -0.045 0.000 1.169 99 G CA 0.277 45.353 45.100 -0.040 0.000 0.788 99 G HN 0.400 nan 8.290 nan 0.000 0.533 100 G N -1.508 107.262 108.800 -0.050 0.000 2.141 100 G HA2 -0.226 2.954 3.960 -1.300 0.000 0.242 100 G HA3 -0.226 2.954 3.960 -1.300 0.000 0.242 100 G C 0.106 174.964 174.900 -0.071 0.000 0.982 100 G CA 0.119 45.186 45.100 -0.055 0.000 0.662 100 G HN 0.683 nan 8.290 nan 0.000 0.527 101 V N 1.490 121.356 119.914 -0.081 0.000 2.427 101 V HA 0.566 3.906 4.120 -1.300 0.000 0.286 101 V C 0.844 176.862 176.094 -0.128 0.000 1.034 101 V CA -0.117 62.125 62.300 -0.098 0.000 0.893 101 V CB 1.673 33.439 31.823 -0.095 0.000 0.982 101 V HN 0.289 nan 8.190 nan 0.000 0.452 102 T N 4.922 119.377 114.554 -0.165 0.000 2.814 102 T HA 0.447 4.017 4.350 -1.300 0.000 0.297 102 T C -0.215 174.264 174.700 -0.368 0.000 0.956 102 T CA -0.107 61.822 62.100 -0.284 0.000 1.123 102 T CB 0.853 69.517 68.868 -0.340 0.000 0.902 102 T HN 0.409 nan 8.240 nan 0.000 0.528 103 V N 4.418 124.104 119.914 -0.380 0.000 2.531 103 V HA 0.428 3.768 4.120 -1.300 0.000 0.301 103 V C -1.176 174.766 176.094 -0.253 0.000 1.034 103 V CA -1.086 61.054 62.300 -0.267 0.000 0.865 103 V CB 1.147 32.899 31.823 -0.119 0.000 0.995 103 V HN 0.761 nan 8.190 nan 0.000 0.424 104 Y N 1.363 121.748 120.300 0.141 0.000 2.420 104 Y HA 0.470 4.242 4.550 -1.297 0.000 0.334 104 Y C 1.089 177.141 175.900 0.252 0.000 1.094 104 Y CA -1.121 57.091 58.100 0.186 0.000 1.126 104 Y CB 1.094 39.695 38.460 0.235 0.000 1.217 104 Y HN 0.812 nan 8.280 nan 0.000 0.462 105 E N -0.420 120.024 120.200 0.407 0.000 2.971 105 E HA -0.314 3.256 4.350 -1.300 0.000 0.278 105 E C 0.911 177.647 176.600 0.227 0.000 1.009 105 E CA 0.503 57.139 56.400 0.393 0.000 0.862 105 E CB -1.204 28.854 29.700 0.598 0.000 1.436 105 E HN 0.780 nan 8.360 nan 0.000 0.434 106 A N 1.207 124.104 122.820 0.128 0.000 2.119 106 A HA -0.160 3.380 4.320 -1.300 0.000 0.217 106 A C 1.846 179.468 177.584 0.064 0.000 1.153 106 A CA 1.334 53.391 52.037 0.033 0.000 0.692 106 A CB -0.121 18.865 19.000 -0.023 0.000 0.799 106 A HN 0.469 nan 8.150 nan 0.000 0.458 107 D N -0.102 120.361 120.400 0.105 0.000 2.347 107 D HA -0.018 3.842 4.640 -1.300 0.000 0.215 107 D C 0.211 176.574 176.300 0.105 0.000 0.976 107 D CA 0.324 54.385 54.000 0.101 0.000 0.884 107 D CB -0.436 40.418 40.800 0.089 0.000 0.915 107 D HN 0.172 nan 8.370 nan 0.000 0.526 108 V N 2.742 122.731 119.914 0.124 0.000 2.439 108 V HA 0.087 3.427 4.120 -1.300 0.000 0.271 108 V C 0.880 176.959 176.094 -0.026 0.000 1.040 108 V CA -0.519 61.820 62.300 0.065 0.000 1.002 108 V CB 0.621 32.520 31.823 0.127 0.000 1.000 108 V HN 0.055 nan 8.190 nan 0.000 0.477 109 R N 5.907 126.316 120.500 -0.153 0.000 2.679 109 R HA 0.214 3.774 4.340 -1.300 0.000 0.269 109 R C -1.524 174.475 176.300 -0.502 0.000 1.076 109 R CA -2.187 53.600 56.100 -0.521 0.000 1.160 109 R CB 0.103 30.204 30.300 -0.331 0.000 1.054 109 R HN 0.343 nan 8.270 nan 0.000 0.507 110 P HA -0.099 nan 4.420 nan 0.000 0.215 110 P C -1.437 175.802 177.300 -0.102 0.000 1.157 110 P CA 1.608 64.454 63.100 -0.423 0.000 0.874 110 P CB -0.565 30.817 31.700 -0.530 0.000 0.790 111 P HA -0.139 nan 4.420 nan 0.000 0.216 111 P C 1.379 178.857 177.300 0.298 0.000 1.153 111 P CA 1.483 64.688 63.100 0.173 0.000 0.848 111 P CB -0.370 31.379 31.700 0.081 0.000 0.787 112 E N -0.693 119.599 120.200 0.154 0.000 2.110 112 E HA -0.188 3.382 4.350 -1.300 0.000 0.193 112 E C 2.117 178.773 176.600 0.093 0.000 0.988 112 E CA 0.929 57.420 56.400 0.152 0.000 0.804 112 E CB -0.581 29.173 29.700 0.091 0.000 0.745 112 E HN 0.038 nan 8.360 nan 0.000 0.458 113 R N -0.216 120.328 120.500 0.073 0.000 2.073 113 R HA -0.177 3.383 4.340 -1.300 0.000 0.234 113 R C 2.118 178.492 176.300 0.124 0.000 1.134 113 R CA 1.416 57.567 56.100 0.085 0.000 0.952 113 R CB -0.910 29.436 30.300 0.076 0.000 0.850 113 R HN 0.325 nan 8.270 nan 0.000 0.433 114 Y N 0.436 120.780 120.300 0.073 0.000 2.145 114 Y HA -0.130 3.641 4.550 -1.299 0.000 0.286 114 Y C 1.763 177.700 175.900 0.061 0.000 1.145 114 Y CA 2.062 60.219 58.100 0.096 0.000 1.148 114 Y CB -0.206 38.361 38.460 0.178 0.000 0.981 114 Y HN 0.060 nan 8.280 nan 0.000 0.507 115 L N -0.362 120.968 121.223 0.179 0.000 2.027 115 L HA -0.248 3.312 4.340 -1.300 0.000 0.206 115 L C 2.715 179.528 176.870 -0.095 0.000 1.074 115 L CA 1.802 56.662 54.840 0.034 0.000 0.745 115 L CB -0.615 41.545 42.059 0.170 0.000 0.898 115 L HN 0.381 nan 8.230 nan 0.000 0.433 116 M N -0.206 119.275 119.600 -0.198 0.000 2.080 116 M HA -0.215 3.485 4.480 -1.300 0.000 0.260 116 M C 1.979 178.049 176.300 -0.382 0.000 1.068 116 M CA 1.770 56.764 55.300 -0.509 0.000 1.109 116 M CB -0.066 32.216 32.600 -0.530 0.000 1.342 116 M HN 0.115 nan 8.290 nan 0.000 0.405 117 E N 0.423 120.477 120.200 -0.244 0.000 2.418 117 E HA -0.087 3.483 4.350 -1.300 0.000 0.197 117 E C 1.330 177.740 176.600 -0.317 0.000 1.026 117 E CA 0.802 57.054 56.400 -0.246 0.000 0.862 117 E CB -0.167 29.486 29.700 -0.078 0.000 0.799 117 E HN 0.619 nan 8.360 nan 0.000 0.518 118 R N -0.385 119.956 120.500 -0.266 0.000 2.466 118 R HA 0.150 3.710 4.340 -1.300 0.000 0.279 118 R C -0.336 176.022 176.300 0.097 0.000 0.976 118 R CA -0.296 55.740 56.100 -0.107 0.000 1.081 118 R CB -0.081 30.086 30.300 -0.222 0.000 1.215 118 R HN -0.025 nan 8.270 nan 0.000 0.546 119 F N 0.001 119.929 119.950 -0.036 0.000 3.091 119 F HA -0.258 3.488 4.527 -1.302 0.000 0.288 119 F C -0.087 175.734 175.800 0.035 0.000 0.907 119 F CA 0.356 58.360 58.000 0.006 0.000 1.028 119 F CB -1.718 37.288 39.000 0.010 0.000 1.022 119 F HN 0.066 nan 8.300 nan 0.000 0.665 120 I N -0.026 120.621 120.570 0.129 0.000 2.392 120 I HA 0.341 3.731 4.170 -1.300 0.000 0.295 120 I C 1.195 177.412 176.117 0.167 0.000 0.985 120 I CA 0.269 61.632 61.300 0.105 0.000 1.221 120 I CB 1.636 39.643 38.000 0.012 0.000 1.366 120 I HN 0.250 nan 8.210 nan 0.000 0.467 121 T N -0.026 114.559 114.554 0.051 0.000 3.571 121 T HA 0.175 3.745 4.350 -1.300 0.000 0.217 121 T C 1.198 175.793 174.700 -0.175 0.000 0.925 121 T CA 0.286 62.354 62.100 -0.053 0.000 1.376 121 T CB 0.288 69.125 68.868 -0.051 0.000 1.375 121 T HN 0.433 nan 8.240 nan 0.000 0.404 122 S N 1.447 116.968 115.700 -0.298 0.000 2.931 122 S HA 0.389 4.079 4.470 -1.300 0.000 0.251 122 S C -2.450 171.699 174.600 -0.752 0.000 1.078 122 S CA -0.256 57.557 58.200 -0.645 0.000 0.835 122 S CB 0.083 62.646 63.200 -1.062 0.000 0.798 122 S HN 0.381 nan 8.310 nan 0.000 0.495 123 P HA 0.285 nan 4.420 nan 0.000 0.276 123 P C -0.885 176.351 177.300 -0.106 0.000 1.235 123 P CA 0.070 63.043 63.100 -0.212 0.000 0.772 123 P CB 1.165 32.873 31.700 0.014 0.000 0.871 124 V N 0.144 119.987 119.914 -0.119 0.000 3.159 124 V HA 0.639 3.979 4.120 -1.300 0.000 0.308 124 V C -1.662 174.369 176.094 -0.106 0.000 1.190 124 V CA -1.284 60.978 62.300 -0.062 0.000 1.037 124 V CB 2.012 33.798 31.823 -0.063 0.000 1.060 124 V HN 0.394 nan 8.190 nan 0.000 0.437 125 W N 1.067 122.419 121.300 0.087 0.000 2.478 125 W HA 0.781 4.661 4.660 -1.301 0.000 0.318 125 W C -0.415 176.122 176.519 0.030 0.000 1.062 125 W CA -0.778 56.609 57.345 0.071 0.000 1.210 125 W CB 2.039 31.532 29.460 0.055 0.000 1.325 125 W HN 0.673 nan 8.180 nan 0.000 0.496 126 V N 4.132 124.221 119.914 0.292 0.000 2.604 126 V HA 0.548 3.888 4.120 -1.300 0.000 0.305 126 V C -0.839 175.335 176.094 0.133 0.000 1.043 126 V CA -0.509 61.890 62.300 0.164 0.000 0.888 126 V CB 1.727 33.599 31.823 0.082 0.000 0.995 126 V HN 0.643 nan 8.190 nan 0.000 0.429 127 E N 3.883 124.138 120.200 0.093 0.000 2.317 127 E HA 0.854 4.424 4.350 -1.300 0.000 0.270 127 E C -0.203 176.345 176.600 -0.087 0.000 0.885 127 E CA -0.296 56.122 56.400 0.030 0.000 0.760 127 E CB 2.361 32.165 29.700 0.174 0.000 1.227 127 E HN 1.162 nan 8.360 nan 0.000 0.434 128 G N 1.373 109.912 108.800 -0.436 0.000 2.336 128 G HA2 0.116 3.296 3.960 -1.300 0.000 0.286 128 G HA3 0.116 3.296 3.960 -1.300 0.000 0.286 128 G C -1.791 172.808 174.900 -0.501 0.000 1.269 128 G CA -0.821 44.072 45.100 -0.345 0.000 0.873 128 G HN 0.404 nan 8.290 nan 0.000 0.494 129 D N 0.997 121.284 120.400 -0.189 0.000 2.303 129 D HA 0.474 4.334 4.640 -1.300 0.000 0.236 129 D C 0.195 176.467 176.300 -0.046 0.000 1.068 129 D CA -0.352 53.589 54.000 -0.099 0.000 0.830 129 D CB 1.820 42.606 40.800 -0.023 0.000 1.109 129 D HN 0.346 nan 8.370 nan 0.000 0.496 130 M N 2.886 122.469 119.600 -0.027 0.000 2.238 130 M HA 0.055 3.755 4.480 -1.300 0.000 0.350 130 M C -1.019 175.342 176.300 0.103 0.000 1.321 130 M CA 0.329 55.638 55.300 0.015 0.000 1.097 130 M CB -0.032 32.573 32.600 0.008 0.000 1.713 130 M HN 0.327 nan 8.290 nan 0.000 0.455 131 H N 3.938 122.986 119.070 -0.036 0.000 3.240 131 H HA 0.362 4.138 4.556 -1.300 0.000 0.326 131 H C -0.659 174.653 175.328 -0.027 0.000 1.015 131 H CA -0.245 55.787 56.048 -0.026 0.000 1.504 131 H CB 0.204 29.950 29.762 -0.027 0.000 1.754 131 H HN 0.935 nan 8.280 nan 0.000 0.505 132 N N 3.636 122.187 118.700 -0.249 0.000 2.716 132 N HA -0.252 3.708 4.740 -1.300 0.000 0.250 132 N C 0.924 176.368 175.510 -0.111 0.000 1.033 132 N CA 0.879 53.796 53.050 -0.222 0.000 0.727 132 N CB -0.762 37.520 38.487 -0.341 0.000 0.950 132 N HN 1.077 nan 8.380 nan 0.000 0.541 133 G N -1.637 107.126 108.800 -0.062 0.000 2.205 133 G HA2 -0.352 2.828 3.960 -1.300 0.000 0.261 133 G HA3 -0.352 2.828 3.960 -1.300 0.000 0.261 133 G C 0.229 175.096 174.900 -0.055 0.000 0.980 133 G CA 0.826 45.901 45.100 -0.041 0.000 0.632 133 G HN 0.971 nan 8.290 nan 0.000 0.533 134 T N -1.129 113.388 114.554 -0.062 0.000 2.940 134 T HA 0.759 4.329 4.350 -1.300 0.000 0.288 134 T C -0.028 174.644 174.700 -0.047 0.000 1.033 134 T CA -1.070 60.975 62.100 -0.093 0.000 1.033 134 T CB 2.239 71.035 68.868 -0.120 0.000 1.079 134 T HN 0.380 nan 8.240 nan 0.000 0.496 135 I N 3.464 123.992 120.570 -0.070 0.000 2.315 135 I HA 0.417 3.807 4.170 -1.300 0.000 0.291 135 I C 0.572 176.665 176.117 -0.040 0.000 1.006 135 I CA -0.779 60.490 61.300 -0.051 0.000 1.265 135 I CB 0.786 38.752 38.000 -0.057 0.000 1.387 135 I HN 0.759 nan 8.210 nan 0.000 0.475 136 V N 2.917 122.817 119.914 -0.025 0.000 2.994 136 V HA 0.589 3.929 4.120 -1.300 0.000 0.318 136 V C 0.396 176.473 176.094 -0.029 0.000 1.085 136 V CA -0.901 61.384 62.300 -0.025 0.000 0.998 136 V CB 1.409 33.218 31.823 -0.024 0.000 1.063 136 V HN 0.903 nan 8.190 nan 0.000 0.447 137 N N -0.016 118.672 118.700 -0.020 0.000 2.721 137 N HA -0.151 3.809 4.740 -1.300 0.000 0.249 137 N C 0.295 175.816 175.510 0.018 0.000 1.072 137 N CA 0.548 53.599 53.050 0.001 0.000 0.710 137 N CB -1.029 37.462 38.487 0.007 0.000 0.993 137 N HN 1.398 nan 8.380 nan 0.000 0.547 138 A N 0.650 123.477 122.820 0.011 0.000 2.386 138 A HA 0.574 4.114 4.320 -1.300 0.000 0.248 138 A C 0.557 178.197 177.584 0.092 0.000 1.082 138 A CA 0.258 52.315 52.037 0.034 0.000 0.789 138 A CB 0.544 19.562 19.000 0.030 0.000 1.025 138 A HN 0.363 nan 8.150 nan 0.000 0.490 139 R N 0.410 120.988 120.500 0.129 0.000 2.575 139 R HA 0.643 4.203 4.340 -1.300 0.000 0.293 139 R C -1.475 174.947 176.300 0.204 0.000 0.983 139 R CA -0.401 55.822 56.100 0.206 0.000 0.887 139 R CB 1.751 32.152 30.300 0.169 0.000 1.184 139 R HN 0.620 nan 8.270 nan 0.000 0.445 140 L N 2.736 124.120 121.223 0.267 0.000 2.354 140 L HA 0.641 4.201 4.340 -1.300 0.000 0.269 140 L C -0.540 176.412 176.870 0.136 0.000 1.005 140 L CA -0.949 54.004 54.840 0.188 0.000 0.819 140 L CB 2.117 44.269 42.059 0.154 0.000 1.311 140 L HN 0.654 nan 8.230 nan 0.000 0.423 141 K N 1.017 121.513 120.400 0.159 0.000 2.512 141 K HA 0.688 4.228 4.320 -1.300 0.000 0.263 141 K C -3.008 173.699 176.600 0.179 0.000 0.966 141 K CA -2.138 54.240 56.287 0.151 0.000 0.851 141 K CB 1.779 34.378 32.500 0.166 0.000 1.395 141 K HN 0.065 nan 8.250 nan 0.000 0.440 142 P HA -0.051 nan 4.420 nan 0.000 0.268 142 P C -1.131 176.276 177.300 0.178 0.000 1.205 142 P CA 0.160 63.342 63.100 0.138 0.000 0.771 142 P CB 0.306 32.088 31.700 0.135 0.000 0.858 143 H N 5.177 124.237 119.070 -0.018 0.000 2.481 143 H HA 0.215 3.990 4.556 -1.300 0.000 0.333 143 H C -1.525 173.803 175.328 -0.001 0.000 1.066 143 H CA -2.281 53.690 56.048 -0.129 0.000 1.209 143 H CB 1.545 31.035 29.762 -0.453 0.000 1.445 143 H HN 0.252 nan 8.280 nan 0.000 0.488 144 P HA -0.142 nan 4.420 nan 0.000 0.216 144 P C 0.019 177.468 177.300 0.249 0.000 1.150 144 P CA 1.639 64.847 63.100 0.181 0.000 0.837 144 P CB 0.594 32.360 31.700 0.110 0.000 0.786 145 D N -5.217 115.428 120.400 0.409 0.000 2.497 145 D HA -0.014 3.846 4.640 -1.300 0.000 0.256 145 D C 0.182 176.555 176.300 0.122 0.000 1.273 145 D CA -0.676 53.466 54.000 0.237 0.000 0.812 145 D CB -1.192 39.724 40.800 0.192 0.000 1.190 145 D HN 0.033 nan 8.370 nan 0.000 0.524 146 Y N 2.446 122.613 120.300 -0.221 0.000 2.620 146 Y HA 0.302 4.072 4.550 -1.300 0.000 0.330 146 Y C -0.189 175.668 175.900 -0.071 0.000 1.186 146 Y CA 0.072 57.926 58.100 -0.410 0.000 1.467 146 Y CB 0.457 38.286 38.460 -1.051 0.000 1.262 146 Y HN -0.178 nan 8.280 nan 0.000 0.550 147 R N 7.573 127.545 120.500 -0.880 0.000 2.575 147 R HA 0.397 3.957 4.340 -1.300 0.000 0.293 147 R C -2.828 172.849 176.300 -1.038 0.000 0.983 147 R CA -2.178 53.510 56.100 -0.687 0.000 0.887 147 R CB 1.487 31.576 30.300 -0.352 0.000 1.184 147 R HN 0.525 nan 8.270 nan 0.000 0.445 148 P HA 0.391 nan 4.420 nan 0.000 0.278 148 P C -2.500 174.693 177.300 -0.178 0.000 1.258 148 P CA -1.457 61.442 63.100 -0.334 0.000 0.811 148 P CB 0.441 32.129 31.700 -0.020 0.000 1.063 149 P HA 0.468 nan 4.420 nan 0.000 0.286 149 P C -0.905 176.405 177.300 0.017 0.000 1.261 149 P CA -0.275 62.809 63.100 -0.027 0.000 0.821 149 P CB 1.126 32.825 31.700 -0.001 0.000 1.013 150 L N 1.611 122.852 121.223 0.029 0.000 2.401 150 L HA 0.488 4.048 4.340 -1.300 0.000 0.266 150 L C 0.237 177.145 176.870 0.063 0.000 0.991 150 L CA -0.866 54.039 54.840 0.108 0.000 0.818 150 L CB 2.580 44.780 42.059 0.234 0.000 1.321 150 L HN 0.199 nan 8.230 nan 0.000 0.413 151 K N 1.780 122.252 120.400 0.119 0.000 2.185 151 K HA 0.469 4.009 4.320 -1.300 0.000 0.269 151 K C -1.430 175.338 176.600 0.281 0.000 0.987 151 K CA -0.552 55.784 56.287 0.083 0.000 0.865 151 K CB 1.468 34.006 32.500 0.064 0.000 1.090 151 K HN 0.259 nan 8.250 nan 0.000 0.450 152 W N 1.805 123.107 121.300 0.003 0.000 2.647 152 W HA 0.564 4.444 4.660 -1.300 0.000 0.353 152 W C -0.549 175.961 176.519 -0.015 0.000 1.080 152 W CA -1.051 56.275 57.345 -0.030 0.000 1.208 152 W CB 0.999 30.399 29.460 -0.100 0.000 1.396 152 W HN 0.126 nan 8.180 nan 0.000 0.573 153 V N 2.069 122.100 119.914 0.194 0.000 2.525 153 V HA 0.488 3.828 4.120 -1.300 0.000 0.299 153 V C -0.760 175.321 176.094 -0.023 0.000 1.034 153 V CA -0.548 61.797 62.300 0.074 0.000 0.863 153 V CB 1.637 33.461 31.823 0.002 0.000 0.999 153 V HN 0.498 nan 8.190 nan 0.000 0.423 154 S N 7.423 123.083 115.700 -0.066 0.000 2.422 154 S HA 0.608 4.298 4.470 -1.300 0.000 0.298 154 S C -0.559 173.970 174.600 -0.118 0.000 1.118 154 S CA -0.509 57.622 58.200 -0.115 0.000 1.083 154 S CB 0.549 63.680 63.200 -0.115 0.000 0.971 154 S HN 0.791 nan 8.310 nan 0.000 0.478 155 I N 4.131 124.657 120.570 -0.073 0.000 2.441 155 I HA 0.565 3.955 4.170 -1.300 0.000 0.295 155 I C -1.182 174.925 176.117 -0.016 0.000 0.994 155 I CA -0.531 60.736 61.300 -0.054 0.000 1.144 155 I CB 1.600 39.606 38.000 0.010 0.000 1.314 155 I HN 0.694 nan 8.210 nan 0.000 0.445 156 D N 7.413 127.796 120.400 -0.028 0.000 2.964 156 D HA 0.457 4.317 4.640 -1.300 0.000 0.234 156 D C -1.126 175.199 176.300 0.042 0.000 1.223 156 D CA -0.508 53.505 54.000 0.022 0.000 0.889 156 D CB 1.690 42.471 40.800 -0.032 0.000 1.609 156 D HN 0.493 nan 8.370 nan 0.000 0.523 157 I N -0.298 120.345 120.570 0.120 0.000 2.562 157 I HA 0.723 4.113 4.170 -1.300 0.000 0.301 157 I C -0.814 175.423 176.117 0.200 0.000 1.003 157 I CA -0.682 60.680 61.300 0.103 0.000 1.127 157 I CB 2.026 40.027 38.000 0.001 0.000 1.304 157 I HN 0.119 nan 8.210 nan 0.000 0.446 158 E N 3.911 124.215 120.200 0.173 0.000 2.222 158 E HA 0.523 4.093 4.350 -1.300 0.000 0.267 158 E C -0.663 176.045 176.600 0.179 0.000 0.884 158 E CA -0.390 56.154 56.400 0.239 0.000 0.764 158 E CB 2.425 32.297 29.700 0.286 0.000 1.169 158 E HN 0.890 nan 8.360 nan 0.000 0.413 159 T N -1.756 112.879 114.554 0.134 0.000 2.804 159 T HA 0.579 4.149 4.350 -1.300 0.000 0.290 159 T C 0.381 174.913 174.700 -0.279 0.000 1.099 159 T CA -0.730 61.278 62.100 -0.154 0.000 1.011 159 T CB 1.197 70.037 68.868 -0.047 0.000 1.291 159 T HN 0.350 nan 8.240 nan 0.000 0.523 160 T N -1.070 113.149 114.554 -0.558 0.000 2.754 160 T HA 0.286 3.856 4.350 -1.300 0.000 0.286 160 T C 1.525 176.140 174.700 -0.142 0.000 0.997 160 T CA -0.616 61.274 62.100 -0.349 0.000 0.982 160 T CB 0.538 69.216 68.868 -0.318 0.000 1.027 160 T HN 0.925 nan 8.240 nan 0.000 0.529 161 R N -0.082 120.326 120.500 -0.153 0.000 2.237 161 R HA -0.076 3.484 4.340 -1.300 0.000 0.219 161 R C 0.943 177.059 176.300 -0.307 0.000 1.080 161 R CA 1.051 57.009 56.100 -0.236 0.000 0.995 161 R CB -0.565 29.552 30.300 -0.306 0.000 0.875 161 R HN 0.684 nan 8.270 nan 0.000 0.462 162 H N -0.122 118.928 119.070 -0.032 0.000 2.520 162 H HA 0.216 3.992 4.556 -1.300 0.000 0.284 162 H C 1.054 176.346 175.328 -0.060 0.000 1.037 162 H CA 0.482 56.506 56.048 -0.040 0.000 1.168 162 H CB 1.115 30.852 29.762 -0.042 0.000 1.497 162 H HN 0.577 nan 8.280 nan 0.000 0.547 163 G N 1.401 110.211 108.800 0.016 0.000 2.176 163 G HA2 -0.263 2.917 3.960 -1.300 0.000 0.253 163 G HA3 -0.263 2.917 3.960 -1.300 0.000 0.253 163 G C 0.020 174.932 174.900 0.020 0.000 0.979 163 G CA -0.044 45.061 45.100 0.009 0.000 0.641 163 G HN 0.436 nan 8.290 nan 0.000 0.530 164 E N 0.325 120.498 120.200 -0.044 0.000 2.338 164 E HA 0.516 4.086 4.350 -1.300 0.000 0.272 164 E C 0.890 177.436 176.600 -0.091 0.000 1.029 164 E CA -0.573 55.835 56.400 0.015 0.000 0.872 164 E CB 1.014 30.673 29.700 -0.067 0.000 1.015 164 E HN 0.367 nan 8.360 nan 0.000 0.417 165 L N 3.371 124.648 121.223 0.091 0.000 2.490 165 L HA -0.095 3.465 4.340 -1.300 0.000 0.274 165 L C 0.308 177.080 176.870 -0.163 0.000 1.201 165 L CA 0.346 55.111 54.840 -0.125 0.000 0.869 165 L CB 0.043 41.995 42.059 -0.178 0.000 1.123 165 L HN 0.706 nan 8.230 nan 0.000 0.484 166 Y N 1.565 121.801 120.300 -0.107 0.000 2.506 166 Y HA 0.159 3.929 4.550 -1.300 0.000 0.287 166 Y C 0.881 176.791 175.900 0.016 0.000 1.147 166 Y CA -0.814 57.155 58.100 -0.219 0.000 1.241 166 Y CB 0.449 38.712 38.460 -0.328 0.000 1.279 166 Y HN 0.732 nan 8.280 nan 0.000 0.527 167 C N -0.875 118.551 119.300 0.209 0.000 3.321 167 C HA 0.770 4.450 4.460 -1.300 0.000 0.329 167 C C -0.903 174.149 174.990 0.103 0.000 1.394 167 C CA -1.645 57.475 59.018 0.170 0.000 1.291 167 C CB 1.032 28.883 27.740 0.186 0.000 1.606 167 C HN 0.097 nan 8.230 nan 0.000 0.463 168 I N 1.526 122.156 120.570 0.101 0.000 2.466 168 I HA 0.636 4.026 4.170 -1.300 0.000 0.289 168 I C 0.479 176.600 176.117 0.006 0.000 1.026 168 I CA -0.278 61.059 61.300 0.061 0.000 1.078 168 I CB 2.021 40.074 38.000 0.089 0.000 1.249 168 I HN 1.067 nan 8.210 nan 0.000 0.429 169 G N 6.949 115.711 108.800 -0.064 0.000 2.372 169 G HA2 0.767 3.947 3.960 -1.300 0.000 0.323 169 G HA3 0.767 3.947 3.960 -1.300 0.000 0.323 169 G C -1.001 173.764 174.900 -0.225 0.000 1.152 169 G CA -0.432 44.567 45.100 -0.168 0.000 0.906 169 G HN 0.429 nan 8.290 nan 0.000 0.460 170 L N 1.654 122.667 121.223 -0.350 0.000 2.385 170 L HA 0.585 4.145 4.340 -1.300 0.000 0.273 170 L C -0.352 176.281 176.870 -0.396 0.000 0.990 170 L CA -0.742 53.807 54.840 -0.486 0.000 0.821 170 L CB 2.558 44.036 42.059 -0.967 0.000 1.279 170 L HN 0.481 nan 8.230 nan 0.000 0.412 171 E N 2.761 122.795 120.200 -0.276 0.000 2.265 171 E HA 0.686 4.256 4.350 -1.300 0.000 0.262 171 E C -0.798 175.773 176.600 -0.047 0.000 0.889 171 E CA -0.312 55.997 56.400 -0.152 0.000 0.789 171 E CB 2.298 31.917 29.700 -0.135 0.000 1.221 171 E HN 0.806 nan 8.360 nan 0.000 0.414 172 G N 1.329 110.147 108.800 0.031 0.000 2.368 172 G HA2 0.039 3.219 3.960 -1.300 0.000 0.302 172 G HA3 0.039 3.219 3.960 -1.300 0.000 0.302 172 G C -0.250 174.731 174.900 0.135 0.000 1.329 172 G CA -0.231 44.924 45.100 0.090 0.000 0.935 172 G HN 0.730 nan 8.290 nan 0.000 0.590 173 C N -0.293 119.046 119.300 0.066 0.000 4.356 173 C HA 0.136 3.816 4.460 -1.300 0.000 0.296 173 C C 2.239 177.192 174.990 -0.063 0.000 1.424 173 C CA 1.903 60.922 59.018 0.001 0.000 2.000 173 C CB -1.689 26.032 27.740 -0.031 0.000 1.262 173 C HN 3.042 nan 8.230 nan 0.000 0.789 174 G N -0.863 107.909 108.800 -0.046 0.000 2.155 174 G HA2 -0.229 2.951 3.960 -1.300 0.000 0.257 174 G HA3 -0.229 2.951 3.960 -1.300 0.000 0.257 174 G C -0.204 174.652 174.900 -0.074 0.000 0.983 174 G CA 0.863 45.930 45.100 -0.055 0.000 0.676 174 G HN 0.750 nan 8.290 nan 0.000 0.528 175 Q N -0.686 119.073 119.800 -0.068 0.000 2.348 175 Q HA 0.735 4.295 4.340 -1.300 0.000 0.271 175 Q C 0.076 176.067 176.000 -0.016 0.000 1.067 175 Q CA -0.614 55.154 55.803 -0.057 0.000 0.839 175 Q CB 1.732 30.427 28.738 -0.071 0.000 1.354 175 Q HN 0.465 nan 8.270 nan 0.000 0.447 176 R N 1.235 121.724 120.500 -0.018 0.000 2.507 176 R HA 0.668 4.228 4.340 -1.300 0.000 0.298 176 R C -0.845 175.432 176.300 -0.037 0.000 1.087 176 R CA -0.227 55.842 56.100 -0.053 0.000 0.917 176 R CB 1.494 31.787 30.300 -0.013 0.000 1.173 176 R HN 0.635 nan 8.270 nan 0.000 0.472 177 I N 1.645 122.118 120.570 -0.163 0.000 2.827 177 I HA 0.493 3.883 4.170 -1.300 0.000 0.298 177 I C -1.535 174.373 176.117 -0.350 0.000 1.235 177 I CA -1.054 60.127 61.300 -0.198 0.000 1.021 177 I CB 2.424 40.271 38.000 -0.256 0.000 1.259 177 I HN 0.258 nan 8.210 nan 0.000 0.427 178 V N 6.598 126.341 119.914 -0.285 0.000 2.531 178 V HA 0.417 3.757 4.120 -1.300 0.000 0.301 178 V C -1.336 174.577 176.094 -0.303 0.000 1.034 178 V CA -0.456 61.690 62.300 -0.258 0.000 0.865 178 V CB 1.626 33.400 31.823 -0.082 0.000 0.995 178 V HN 0.489 nan 8.190 nan 0.000 0.424 179 Y N 4.985 125.271 120.300 -0.023 0.000 2.341 179 Y HA 0.688 4.458 4.550 -1.300 0.000 0.340 179 Y C 0.194 176.102 175.900 0.013 0.000 0.997 179 Y CA -0.582 57.516 58.100 -0.003 0.000 1.149 179 Y CB 1.642 40.115 38.460 0.022 0.000 1.171 179 Y HN 0.637 nan 8.280 nan 0.000 0.494 180 M N 4.272 123.943 119.600 0.119 0.000 2.456 180 M HA 0.486 4.186 4.480 -1.300 0.000 0.324 180 M C -1.776 174.711 176.300 0.311 0.000 1.124 180 M CA -1.094 54.297 55.300 0.151 0.000 0.959 180 M CB 1.171 33.731 32.600 -0.066 0.000 1.692 180 M HN 0.571 nan 8.290 nan 0.000 0.444 181 L N 4.657 126.133 121.223 0.422 0.000 2.410 181 L HA 0.584 4.144 4.340 -1.300 0.000 0.273 181 L C 0.366 177.541 176.870 0.507 0.000 1.144 181 L CA 0.697 55.809 54.840 0.453 0.000 0.863 181 L CB 0.128 42.482 42.059 0.491 0.000 1.140 181 L HN 0.844 nan 8.230 nan 0.000 0.463 182 G N 5.201 114.223 108.800 0.371 0.000 2.563 182 G HA2 0.510 3.690 3.960 -1.300 0.000 0.283 182 G HA3 0.510 3.690 3.960 -1.300 0.000 0.283 182 G C -2.573 172.374 174.900 0.078 0.000 1.309 182 G CA -0.902 44.308 45.100 0.183 0.000 1.022 182 G HN 0.637 nan 8.290 nan 0.000 0.501 183 P HA 0.209 nan 4.420 nan 0.000 0.274 183 P C -0.113 176.952 177.300 -0.392 0.000 1.246 183 P CA -0.524 62.464 63.100 -0.187 0.000 0.795 183 P CB 0.647 32.263 31.700 -0.140 0.000 1.006 184 E N 1.378 121.158 120.200 -0.699 0.000 2.392 184 E HA 0.306 3.876 4.350 -1.300 0.000 0.259 184 E C -0.192 176.183 176.600 -0.375 0.000 1.108 184 E CA -0.550 55.294 56.400 -0.927 0.000 0.916 184 E CB 0.092 29.093 29.700 -1.166 0.000 0.989 184 E HN 0.515 nan 8.360 nan 0.000 0.432 185 N N 0.113 118.684 118.700 -0.215 0.000 3.020 185 N HA 0.438 4.398 4.740 -1.300 0.000 0.248 185 N C 0.037 175.522 175.510 -0.043 0.000 1.480 185 N CA -0.170 52.809 53.050 -0.120 0.000 0.874 185 N CB 0.661 39.067 38.487 -0.134 0.000 1.433 185 N HN 0.865 nan 8.380 nan 0.000 0.530 186 G N -0.219 108.558 108.800 -0.039 0.000 2.641 186 G HA2 -0.004 3.176 3.960 -1.300 0.000 0.254 186 G HA3 -0.004 3.176 3.960 -1.300 0.000 0.254 186 G C -1.401 173.496 174.900 -0.005 0.000 1.315 186 G CA 0.389 45.481 45.100 -0.014 0.000 0.907 186 G HN 1.394 nan 8.290 nan 0.000 0.572 187 D N -0.793 119.609 120.400 0.002 0.000 2.787 187 D HA 0.599 4.459 4.640 -1.300 0.000 0.246 187 D C 0.318 176.616 176.300 -0.003 0.000 1.150 187 D CA -0.014 53.986 54.000 0.001 0.000 0.864 187 D CB 1.451 42.245 40.800 -0.010 0.000 1.481 187 D HN 1.283 nan 8.370 nan 0.000 0.509 188 A N 2.186 125.004 122.820 -0.004 0.000 2.460 188 A HA 0.137 3.677 4.320 -1.300 0.000 0.258 188 A C 1.750 179.284 177.584 -0.084 0.000 1.300 188 A CA 0.470 52.476 52.037 -0.052 0.000 0.913 188 A CB -0.365 18.612 19.000 -0.038 0.000 1.031 188 A HN 0.618 nan 8.150 nan 0.000 0.512 189 S N 0.675 116.343 115.700 -0.053 0.000 2.382 189 S HA -0.191 3.499 4.470 -1.300 0.000 0.228 189 S C 1.960 176.521 174.600 -0.066 0.000 1.027 189 S CA 1.814 59.983 58.200 -0.052 0.000 0.991 189 S CB -0.814 62.367 63.200 -0.031 0.000 0.823 189 S HN 0.757 nan 8.310 nan 0.000 0.469 190 S N 2.149 117.810 115.700 -0.065 0.000 2.447 190 S HA 0.189 3.879 4.470 -1.300 0.000 0.233 190 S C 0.846 175.388 174.600 -0.096 0.000 1.006 190 S CA 0.035 58.198 58.200 -0.062 0.000 0.957 190 S CB -0.952 62.224 63.200 -0.039 0.000 0.773 190 S HN 0.535 nan 8.310 nan 0.000 0.507 191 L N 3.295 124.408 121.223 -0.183 0.000 2.490 191 L HA 0.123 3.683 4.340 -1.300 0.000 0.274 191 L C 0.735 177.441 176.870 -0.273 0.000 1.201 191 L CA -0.242 54.398 54.840 -0.334 0.000 0.869 191 L CB 0.122 41.731 42.059 -0.749 0.000 1.123 191 L HN 0.265 nan 8.230 nan 0.000 0.484 192 D N 1.738 122.051 120.400 -0.145 0.000 2.395 192 D HA 0.134 3.994 4.640 -1.300 0.000 0.226 192 D C -0.289 176.056 176.300 0.074 0.000 1.146 192 D CA -0.166 53.824 54.000 -0.017 0.000 0.830 192 D CB -0.179 40.654 40.800 0.055 0.000 0.958 192 D HN 0.275 nan 8.370 nan 0.000 0.501 193 F N -1.776 118.151 119.950 -0.039 0.000 2.685 193 F HA 0.594 4.342 4.527 -1.300 0.000 0.315 193 F C -0.649 175.114 175.800 -0.063 0.000 1.126 193 F CA -1.539 56.428 58.000 -0.055 0.000 0.950 193 F CB 0.827 39.784 39.000 -0.071 0.000 1.360 193 F HN -0.330 nan 8.300 nan 0.000 0.469 194 E N 1.685 121.978 120.200 0.155 0.000 2.289 194 E HA 0.417 3.987 4.350 -1.300 0.000 0.278 194 E C -1.407 175.227 176.600 0.056 0.000 1.032 194 E CA -0.689 55.726 56.400 0.025 0.000 0.854 194 E CB 1.805 31.520 29.700 0.025 0.000 1.046 194 E HN 0.542 nan 8.360 nan 0.000 0.409 195 L N 2.837 124.008 121.223 -0.086 0.000 2.319 195 L HA 0.331 3.891 4.340 -1.300 0.000 0.281 195 L C -0.918 175.867 176.870 -0.142 0.000 1.005 195 L CA -0.186 54.586 54.840 -0.113 0.000 0.828 195 L CB 1.437 43.378 42.059 -0.195 0.000 1.227 195 L HN 0.462 nan 8.230 nan 0.000 0.415 196 E N 3.818 123.930 120.200 -0.145 0.000 2.176 196 E HA 0.344 3.914 4.350 -1.300 0.000 0.267 196 E C -1.558 175.039 176.600 -0.005 0.000 0.893 196 E CA -0.647 55.760 56.400 0.011 0.000 0.761 196 E CB 1.381 31.202 29.700 0.202 0.000 1.133 196 E HN 0.525 nan 8.360 nan 0.000 0.409 197 Y N 1.115 121.504 120.300 0.149 0.000 2.335 197 Y HA 0.417 4.187 4.550 -1.300 0.000 0.323 197 Y C 0.268 176.251 175.900 0.138 0.000 1.224 197 Y CA -0.567 57.617 58.100 0.139 0.000 1.241 197 Y CB 1.481 39.995 38.460 0.089 0.000 1.235 197 Y HN 0.252 nan 8.280 nan 0.000 0.492 198 V N -0.899 119.209 119.914 0.324 0.000 2.971 198 V HA 0.788 4.128 4.120 -1.300 0.000 0.309 198 V C 0.179 176.376 176.094 0.172 0.000 1.130 198 V CA -0.537 61.883 62.300 0.200 0.000 0.964 198 V CB 1.421 33.328 31.823 0.140 0.000 1.029 198 V HN 0.869 nan 8.190 nan 0.000 0.427 199 A N 2.958 125.844 122.820 0.109 0.000 1.930 199 A HA 0.295 3.835 4.320 -1.300 0.000 0.217 199 A C 1.281 178.909 177.584 0.074 0.000 1.175 199 A CA 1.616 53.700 52.037 0.079 0.000 0.627 199 A CB -0.596 18.431 19.000 0.046 0.000 0.815 199 A HN 1.973 nan 8.150 nan 0.000 0.443 200 S N -3.076 112.654 115.700 0.050 0.000 2.595 200 S HA 0.581 4.271 4.470 -1.300 0.000 0.281 200 S C 0.348 174.943 174.600 -0.009 0.000 1.117 200 S CA -0.704 57.502 58.200 0.011 0.000 0.873 200 S CB 1.374 64.544 63.200 -0.049 0.000 1.108 200 S HN 0.305 nan 8.310 nan 0.000 0.477 201 R N 0.467 120.942 120.500 -0.041 0.000 2.096 201 R HA 0.003 3.563 4.340 -1.300 0.000 0.235 201 R C -1.026 175.205 176.300 -0.114 0.000 1.127 201 R CA 1.583 57.674 56.100 -0.015 0.000 0.968 201 R CB -1.620 28.745 30.300 0.109 0.000 0.861 201 R HN 0.530 nan 8.270 nan 0.000 0.440 202 P HA -0.152 nan 4.420 nan 0.000 0.218 202 P C 0.805 178.043 177.300 -0.102 0.000 1.148 202 P CA 1.327 64.218 63.100 -0.349 0.000 0.822 202 P CB 0.011 31.439 31.700 -0.454 0.000 0.784 203 Q N -1.102 118.649 119.800 -0.082 0.000 2.291 203 Q HA -0.049 3.511 4.340 -1.300 0.000 0.205 203 Q C 2.005 177.975 176.000 -0.049 0.000 0.970 203 Q CA 0.751 56.528 55.803 -0.043 0.000 0.876 203 Q CB -0.508 28.220 28.738 -0.016 0.000 0.935 203 Q HN 0.316 nan 8.270 nan 0.000 0.455 204 L N 0.082 121.290 121.223 -0.025 0.000 2.093 204 L HA -0.186 3.374 4.340 -1.300 0.000 0.208 204 L C 2.135 178.960 176.870 -0.074 0.000 1.085 204 L CA 0.951 55.768 54.840 -0.038 0.000 0.755 204 L CB -0.361 41.709 42.059 0.018 0.000 0.904 204 L HN 0.307 nan 8.230 nan 0.000 0.435 205 L N -0.633 120.578 121.223 -0.021 0.000 2.093 205 L HA -0.169 3.391 4.340 -1.300 0.000 0.208 205 L C 2.452 179.300 176.870 -0.036 0.000 1.085 205 L CA 1.224 56.056 54.840 -0.013 0.000 0.755 205 L CB -0.534 41.560 42.059 0.058 0.000 0.904 205 L HN 0.316 nan 8.230 nan 0.000 0.435 206 E N 0.078 120.254 120.200 -0.041 0.000 2.077 206 E HA -0.184 3.386 4.350 -1.300 0.000 0.193 206 E C 2.195 178.749 176.600 -0.076 0.000 0.989 206 E CA 0.799 57.176 56.400 -0.039 0.000 0.800 206 E CB 0.085 29.767 29.700 -0.030 0.000 0.746 206 E HN 0.287 nan 8.360 nan 0.000 0.452 207 K N 0.728 121.015 120.400 -0.188 0.000 2.057 207 K HA -0.145 3.395 4.320 -1.300 0.000 0.207 207 K C 2.260 178.685 176.600 -0.291 0.000 1.049 207 K CA 0.603 56.654 56.287 -0.393 0.000 0.931 207 K CB -0.437 31.484 32.500 -0.966 0.000 0.714 207 K HN 0.114 nan 8.250 nan 0.000 0.440 208 L N 2.130 123.237 121.223 -0.194 0.000 2.046 208 L HA -0.162 3.398 4.340 -1.300 0.000 0.208 208 L C 1.647 178.646 176.870 0.215 0.000 1.077 208 L CA 1.750 56.626 54.840 0.059 0.000 0.747 208 L CB -0.646 41.418 42.059 0.008 0.000 0.896 208 L HN 0.101 nan 8.230 nan 0.000 0.432 209 N N 0.252 119.004 118.700 0.087 0.000 2.084 209 N HA -0.136 3.824 4.740 -1.300 0.000 0.190 209 N C 1.850 177.476 175.510 0.193 0.000 1.030 209 N CA 1.681 54.795 53.050 0.105 0.000 0.849 209 N CB -0.563 37.944 38.487 0.032 0.000 1.012 209 N HN 0.536 nan 8.380 nan 0.000 0.423 210 A N -0.258 122.653 122.820 0.151 0.000 1.933 210 A HA -0.153 3.387 4.320 -1.300 0.000 0.218 210 A C 2.204 179.931 177.584 0.238 0.000 1.175 210 A CA 1.199 53.322 52.037 0.145 0.000 0.628 210 A CB -1.135 17.923 19.000 0.097 0.000 0.814 210 A HN 0.532 nan 8.150 nan 0.000 0.444 211 W N -0.596 120.828 121.300 0.207 0.000 2.358 211 W HA -0.168 3.712 4.660 -1.300 0.000 0.303 211 W C 1.822 178.504 176.519 0.272 0.000 1.208 211 W CA 1.876 59.419 57.345 0.331 0.000 1.274 211 W CB -0.336 29.381 29.460 0.427 0.000 1.138 211 W HN 0.317 nan 8.180 nan 0.000 0.515 212 F N 0.305 120.550 119.950 0.491 0.000 2.134 212 F HA -0.196 3.551 4.527 -1.300 0.000 0.299 212 F C 2.591 178.429 175.800 0.064 0.000 1.097 212 F CA 2.000 60.187 58.000 0.311 0.000 1.264 212 F CB -1.097 38.051 39.000 0.245 0.000 1.001 212 F HN -0.047 nan 8.300 nan 0.000 0.479 213 A N 0.107 123.050 122.820 0.205 0.000 1.883 213 A HA -0.300 3.240 4.320 -1.300 0.000 0.217 213 A C 1.958 179.494 177.584 -0.081 0.000 1.186 213 A CA 2.311 54.381 52.037 0.055 0.000 0.624 213 A CB -1.040 17.984 19.000 0.040 0.000 0.822 213 A HN 0.458 nan 8.150 nan 0.000 0.444 214 N N -1.537 117.042 118.700 -0.201 0.000 2.135 214 N HA -0.113 3.847 4.740 -1.300 0.000 0.186 214 N C 1.360 176.460 175.510 -0.682 0.000 1.027 214 N CA 1.771 54.541 53.050 -0.467 0.000 0.849 214 N CB -0.422 37.669 38.487 -0.659 0.000 1.002 214 N HN 0.496 nan 8.380 nan 0.000 0.425 215 Y N 0.082 120.043 120.300 -0.565 0.000 2.517 215 Y HA 0.181 3.950 4.550 -1.300 0.000 0.281 215 Y C 0.326 175.969 175.900 -0.428 0.000 1.125 215 Y CA 0.363 58.053 58.100 -0.683 0.000 1.283 215 Y CB -0.185 37.434 38.460 -1.402 0.000 1.042 215 Y HN 0.015 nan 8.280 nan 0.000 0.547 216 D N 0.653 120.931 120.400 -0.203 0.000 2.735 216 D HA -0.145 3.715 4.640 -1.300 0.000 0.235 216 D C -2.621 173.660 176.300 -0.032 0.000 1.175 216 D CA 0.010 53.965 54.000 -0.076 0.000 0.683 216 D CB -0.230 40.545 40.800 -0.041 0.000 1.008 216 D HN 0.174 nan 8.370 nan 0.000 0.416 217 P HA 0.090 nan 4.420 nan 0.000 0.271 217 P C 0.503 177.856 177.300 0.088 0.000 1.218 217 P CA -0.151 62.973 63.100 0.039 0.000 0.780 217 P CB 0.852 32.574 31.700 0.036 0.000 0.901 218 D N 0.540 121.018 120.400 0.130 0.000 2.162 218 D HA 0.018 3.878 4.640 -1.300 0.000 0.203 218 D C 0.433 176.815 176.300 0.137 0.000 0.967 218 D CA 1.274 55.361 54.000 0.144 0.000 0.840 218 D CB 0.354 41.256 40.800 0.170 0.000 0.972 218 D HN 0.153 nan 8.370 nan 0.000 0.482 219 V N 1.650 121.655 119.914 0.151 0.000 2.656 219 V HA 0.363 3.703 4.120 -1.300 0.000 0.307 219 V C -0.086 176.031 176.094 0.039 0.000 1.051 219 V CA -0.738 61.600 62.300 0.064 0.000 0.893 219 V CB 2.662 34.455 31.823 -0.050 0.000 0.999 219 V HN -0.098 nan 8.190 nan 0.000 0.426 220 I N 5.962 126.546 120.570 0.024 0.000 2.330 220 I HA 0.551 3.941 4.170 -1.300 0.000 0.289 220 I C -0.245 175.829 176.117 -0.073 0.000 1.001 220 I CA -0.362 60.962 61.300 0.040 0.000 1.193 220 I CB 1.254 39.329 38.000 0.125 0.000 1.345 220 I HN 0.636 nan 8.210 nan 0.000 0.461 221 I N 2.947 123.414 120.570 -0.171 0.000 2.740 221 I HA 1.058 4.448 4.170 -1.300 0.000 0.303 221 I C -0.063 175.956 176.117 -0.163 0.000 1.044 221 I CA -0.347 60.770 61.300 -0.305 0.000 1.064 221 I CB 2.291 39.728 38.000 -0.939 0.000 1.249 221 I HN 0.606 nan 8.210 nan 0.000 0.433 222 G N 2.920 111.698 108.800 -0.037 0.000 2.489 222 G HA2 0.262 3.442 3.960 -1.300 0.000 0.305 222 G HA3 0.262 3.442 3.960 -1.300 0.000 0.305 222 G C -2.676 172.399 174.900 0.292 0.000 1.311 222 G CA -0.672 44.490 45.100 0.104 0.000 0.813 222 G HN 0.763 nan 8.290 nan 0.000 0.480 223 W N 1.543 122.862 121.300 0.031 0.000 2.411 223 W HA 0.406 4.286 4.660 -1.299 0.000 0.317 223 W C 0.499 177.045 176.519 0.044 0.000 1.030 223 W CA -0.314 57.053 57.345 0.035 0.000 1.239 223 W CB 1.424 30.879 29.460 -0.007 0.000 1.304 223 W HN 0.739 nan 8.180 nan 0.000 0.437 224 N N 3.480 122.116 118.700 -0.106 0.000 2.735 224 N HA -0.225 3.735 4.740 -1.300 0.000 0.248 224 N C 0.571 176.155 175.510 0.123 0.000 1.083 224 N CA 1.072 54.109 53.050 -0.022 0.000 0.703 224 N CB -1.061 37.433 38.487 0.011 0.000 1.005 224 N HN 0.317 nan 8.380 nan 0.000 0.550 225 V N -0.784 119.193 119.914 0.106 0.000 2.490 225 V HA -0.192 3.148 4.120 -1.300 0.000 0.250 225 V C 1.897 178.067 176.094 0.128 0.000 1.061 225 V CA 2.210 64.590 62.300 0.133 0.000 1.064 225 V CB 0.027 31.904 31.823 0.091 0.000 0.670 225 V HN 0.361 nan 8.190 nan 0.000 0.461 226 V N -0.703 119.279 119.914 0.113 0.000 2.300 226 V HA -0.130 3.210 4.120 -1.300 0.000 0.241 226 V C 2.442 178.677 176.094 0.235 0.000 1.034 226 V CA 1.587 63.979 62.300 0.153 0.000 1.021 226 V CB -0.673 31.215 31.823 0.108 0.000 0.662 226 V HN 0.443 nan 8.190 nan 0.000 0.458 227 Q N -1.307 118.594 119.800 0.168 0.000 2.364 227 Q HA -0.052 3.508 4.340 -1.300 0.000 0.207 227 Q C 1.697 177.806 176.000 0.181 0.000 0.970 227 Q CA 1.462 57.356 55.803 0.151 0.000 0.888 227 Q CB -0.122 28.668 28.738 0.087 0.000 0.951 227 Q HN 0.700 nan 8.270 nan 0.000 0.469 228 F N 0.399 120.380 119.950 0.051 0.000 2.480 228 F HA 0.072 3.819 4.527 -1.300 0.000 0.258 228 F C 1.176 177.005 175.800 0.049 0.000 0.941 228 F CA 0.480 58.502 58.000 0.036 0.000 1.085 228 F CB -0.126 38.893 39.000 0.031 0.000 1.222 228 F HN -0.101 nan 8.300 nan 0.000 0.724 229 D N 1.298 121.702 120.400 0.007 0.000 2.103 229 D HA -0.209 3.651 4.640 -1.300 0.000 0.190 229 D C 2.324 178.565 176.300 -0.098 0.000 0.997 229 D CA 2.363 56.285 54.000 -0.131 0.000 0.833 229 D CB -0.505 40.349 40.800 0.089 0.000 0.961 229 D HN 0.264 nan 8.370 nan 0.000 0.447 230 L N 0.010 121.263 121.223 0.050 0.000 2.093 230 L HA -0.106 3.454 4.340 -1.300 0.000 0.208 230 L C 2.568 179.581 176.870 0.238 0.000 1.085 230 L CA 0.899 55.828 54.840 0.147 0.000 0.755 230 L CB -0.337 41.828 42.059 0.177 0.000 0.904 230 L HN 0.013 nan 8.230 nan 0.000 0.435 231 R N -0.268 120.332 120.500 0.166 0.000 2.073 231 R HA -0.165 3.395 4.340 -1.300 0.000 0.234 231 R C 2.426 178.619 176.300 -0.179 0.000 1.134 231 R CA 1.361 57.407 56.100 -0.091 0.000 0.952 231 R CB -0.021 30.209 30.300 -0.117 0.000 0.850 231 R HN 0.194 nan 8.270 nan 0.000 0.433 232 M N 0.513 119.980 119.600 -0.220 0.000 2.117 232 M HA -0.155 3.545 4.480 -1.300 0.000 0.262 232 M C 2.273 178.539 176.300 -0.056 0.000 1.065 232 M CA 1.472 56.649 55.300 -0.205 0.000 1.114 232 M CB -0.764 31.581 32.600 -0.426 0.000 1.361 232 M HN 0.229 nan 8.290 nan 0.000 0.408 233 L N -0.520 120.634 121.223 -0.116 0.000 2.083 233 L HA -0.245 3.315 4.340 -1.300 0.000 0.209 233 L C 2.601 179.456 176.870 -0.026 0.000 1.083 233 L CA 1.164 55.949 54.840 -0.092 0.000 0.752 233 L CB -0.636 41.370 42.059 -0.089 0.000 0.899 233 L HN 0.286 nan 8.230 nan 0.000 0.433 234 Q N 0.667 120.452 119.800 -0.024 0.000 2.084 234 Q HA -0.207 3.353 4.340 -1.300 0.000 0.202 234 Q C 2.082 177.985 176.000 -0.161 0.000 0.978 234 Q CA 1.717 57.481 55.803 -0.065 0.000 0.844 234 Q CB -0.009 28.638 28.738 -0.152 0.000 0.898 234 Q HN 0.283 nan 8.270 nan 0.000 0.426 235 K N -1.125 119.160 120.400 -0.192 0.000 2.057 235 K HA -0.191 3.349 4.320 -1.300 0.000 0.207 235 K C 2.114 178.538 176.600 -0.294 0.000 1.049 235 K CA 1.583 57.721 56.287 -0.249 0.000 0.931 235 K CB -0.271 32.077 32.500 -0.253 0.000 0.714 235 K HN 0.396 nan 8.250 nan 0.000 0.440 236 H N 0.042 118.905 119.070 -0.344 0.000 2.353 236 H HA -0.072 3.704 4.556 -1.300 0.000 0.300 236 H C 1.969 176.975 175.328 -0.537 0.000 1.090 236 H CA 1.661 57.382 56.048 -0.545 0.000 1.327 236 H CB -0.199 29.370 29.762 -0.322 0.000 1.383 236 H HN 0.282 nan 8.280 nan 0.000 0.508 237 A N 0.827 123.582 122.820 -0.108 0.000 1.902 237 A HA -0.220 3.320 4.320 -1.300 0.000 0.217 237 A C 2.132 179.661 177.584 -0.091 0.000 1.181 237 A CA 1.913 53.923 52.037 -0.044 0.000 0.623 237 A CB -0.351 18.640 19.000 -0.015 0.000 0.818 237 A HN 0.516 nan 8.150 nan 0.000 0.443 238 E N -0.610 119.498 120.200 -0.154 0.000 2.047 238 E HA -0.160 3.410 4.350 -1.300 0.000 0.191 238 E C 2.380 178.881 176.600 -0.165 0.000 0.987 238 E CA 0.985 57.296 56.400 -0.149 0.000 0.799 238 E CB -0.171 29.419 29.700 -0.182 0.000 0.752 238 E HN 0.499 nan 8.360 nan 0.000 0.449 239 R N -0.018 120.312 120.500 -0.285 0.000 2.081 239 R HA -0.137 3.423 4.340 -1.300 0.000 0.235 239 R C 1.744 177.978 176.300 -0.110 0.000 1.131 239 R CA 1.193 57.125 56.100 -0.281 0.000 0.960 239 R CB -0.202 29.805 30.300 -0.487 0.000 0.856 239 R HN 0.281 nan 8.270 nan 0.000 0.436 240 Y N -0.197 120.080 120.300 -0.038 0.000 2.490 240 Y HA 0.158 3.928 4.550 -1.300 0.000 0.281 240 Y C 0.409 176.297 175.900 -0.020 0.000 1.174 240 Y CA -0.405 57.683 58.100 -0.020 0.000 1.295 240 Y CB -0.055 38.406 38.460 0.001 0.000 1.062 240 Y HN -0.099 nan 8.280 nan 0.000 0.522 241 R N -0.172 120.382 120.500 0.089 0.000 3.531 241 R HA -0.148 3.412 4.340 -1.300 0.000 0.280 241 R C -1.366 174.969 176.300 0.057 0.000 1.130 241 R CA 0.297 56.425 56.100 0.047 0.000 0.757 241 R CB -2.241 28.082 30.300 0.039 0.000 1.218 241 R HN 0.264 nan 8.270 nan 0.000 0.454 242 L N 0.761 122.030 121.223 0.077 0.000 2.346 242 L HA 0.622 4.182 4.340 -1.300 0.000 0.276 242 L C -1.823 175.068 176.870 0.035 0.000 1.006 242 L CA -2.222 52.657 54.840 0.064 0.000 0.817 242 L CB 1.922 44.042 42.059 0.102 0.000 1.272 242 L HN -0.126 nan 8.230 nan 0.000 0.421 243 P HA 0.090 nan 4.420 nan 0.000 0.276 243 P C -0.840 176.457 177.300 -0.005 0.000 1.230 243 P CA -0.490 62.611 63.100 0.003 0.000 0.776 243 P CB 1.637 33.336 31.700 -0.002 0.000 0.888 244 L N 5.131 126.345 121.223 -0.014 0.000 2.315 244 L HA 0.267 3.827 4.340 -1.300 0.000 0.278 244 L C 0.548 177.372 176.870 -0.078 0.000 1.088 244 L CA -0.237 54.577 54.840 -0.043 0.000 0.899 244 L CB -0.329 41.715 42.059 -0.024 0.000 1.277 244 L HN 0.210 nan 8.230 nan 0.000 0.431 245 R N 5.730 126.179 120.500 -0.084 0.000 3.266 245 R HA 0.240 3.800 4.340 -1.300 0.000 0.224 245 R C 0.399 176.604 176.300 -0.159 0.000 1.525 245 R CA -0.097 55.950 56.100 -0.088 0.000 1.364 245 R CB 0.142 30.420 30.300 -0.037 0.000 1.276 245 R HN 0.678 nan 8.270 nan 0.000 0.660 246 L N 0.326 121.402 121.223 -0.244 0.000 2.607 246 L HA 0.216 3.776 4.340 -1.300 0.000 0.228 246 L C 1.112 177.897 176.870 -0.142 0.000 1.123 246 L CA -0.164 54.427 54.840 -0.415 0.000 0.890 246 L CB 0.360 42.098 42.059 -0.535 0.000 1.103 246 L HN 0.447 nan 8.230 nan 0.000 0.468 247 G N -0.016 108.718 108.800 -0.110 0.000 2.434 247 G HA2 0.492 3.672 3.960 -1.300 0.000 0.330 247 G HA3 0.492 3.672 3.960 -1.300 0.000 0.330 247 G C -0.286 174.525 174.900 -0.148 0.000 1.155 247 G CA -0.591 44.433 45.100 -0.126 0.000 0.917 247 G HN 0.036 nan 8.290 nan 0.000 0.493 248 R N -0.185 120.128 120.500 -0.313 0.000 2.738 248 R HA 0.175 3.735 4.340 -1.300 0.000 0.268 248 R C 0.120 176.232 176.300 -0.313 0.000 1.062 248 R CA 0.276 56.125 56.100 -0.418 0.000 1.158 248 R CB 0.263 29.999 30.300 -0.939 0.000 1.046 248 R HN 0.662 nan 8.270 nan 0.000 0.493 249 D N 1.330 121.663 120.400 -0.113 0.000 2.800 249 D HA -0.205 3.655 4.640 -1.300 0.000 0.232 249 D C -0.929 175.366 176.300 -0.008 0.000 1.137 249 D CA 0.797 54.820 54.000 0.039 0.000 0.718 249 D CB -1.271 39.620 40.800 0.150 0.000 1.084 249 D HN 0.778 nan 8.370 nan 0.000 0.432 250 N N -0.868 117.820 118.700 -0.021 0.000 2.705 250 N HA -0.230 3.730 4.740 -1.300 0.000 0.255 250 N C -0.400 175.091 175.510 -0.032 0.000 1.008 250 N CA 1.264 54.306 53.050 -0.014 0.000 0.742 250 N CB -1.403 37.086 38.487 0.003 0.000 0.906 250 N HN 0.634 nan 8.380 nan 0.000 0.541 251 S N -1.160 114.502 115.700 -0.062 0.000 2.638 251 S HA 0.485 4.175 4.470 -1.300 0.000 0.298 251 S C 0.051 174.607 174.600 -0.073 0.000 1.111 251 S CA -0.903 57.256 58.200 -0.069 0.000 1.027 251 S CB 2.480 65.621 63.200 -0.099 0.000 1.064 251 S HN 0.166 nan 8.310 nan 0.000 0.525 252 E N 0.511 120.676 120.200 -0.058 0.000 2.354 252 E HA 0.230 3.800 4.350 -1.300 0.000 0.269 252 E C -0.361 176.197 176.600 -0.070 0.000 1.036 252 E CA -0.625 55.743 56.400 -0.052 0.000 0.876 252 E CB 0.635 30.321 29.700 -0.024 0.000 1.009 252 E HN 0.536 nan 8.360 nan 0.000 0.416 253 L N 2.837 124.013 121.223 -0.079 0.000 2.490 253 L HA -0.002 3.558 4.340 -1.300 0.000 0.274 253 L C -0.238 176.571 176.870 -0.101 0.000 1.201 253 L CA 0.935 55.696 54.840 -0.132 0.000 0.869 253 L CB 0.255 42.240 42.059 -0.122 0.000 1.123 253 L HN 0.464 nan 8.230 nan 0.000 0.484 254 E N 3.529 123.605 120.200 -0.207 0.000 2.263 254 E HA 0.360 3.930 4.350 -1.300 0.000 0.264 254 E C -1.685 174.758 176.600 -0.262 0.000 0.923 254 E CA -0.532 55.807 56.400 -0.102 0.000 0.802 254 E CB 1.420 31.090 29.700 -0.050 0.000 1.228 254 E HN 0.560 nan 8.360 nan 0.000 0.417 255 W N 0.998 122.306 121.300 0.013 0.000 2.785 255 W HA 0.412 4.291 4.660 -1.300 0.000 0.333 255 W C -0.052 176.575 176.519 0.181 0.000 1.062 255 W CA -0.675 56.717 57.345 0.078 0.000 1.233 255 W CB 1.448 30.878 29.460 -0.049 0.000 1.413 255 W HN 0.047 nan 8.180 nan 0.000 0.489 256 R N 1.841 122.634 120.500 0.488 0.000 2.621 256 R HA 0.281 3.841 4.340 -1.300 0.000 0.292 256 R C -0.658 175.904 176.300 0.437 0.000 0.969 256 R CA -1.231 55.105 56.100 0.393 0.000 0.887 256 R CB 2.470 32.892 30.300 0.203 0.000 1.180 256 R HN 0.640 nan 8.270 nan 0.000 0.450 257 E N 1.834 122.187 120.200 0.255 0.000 2.383 257 E HA -0.017 3.553 4.350 -1.300 0.000 0.264 257 E C -0.290 176.303 176.600 -0.012 0.000 1.050 257 E CA -0.313 56.004 56.400 -0.139 0.000 0.896 257 E CB 0.670 30.235 29.700 -0.225 0.000 0.982 257 E HN 0.357 nan 8.360 nan 0.000 0.424 258 H N 2.759 121.726 119.070 -0.171 0.000 2.871 258 H HA -0.005 3.771 4.556 -1.300 0.000 0.355 258 H C 1.001 176.238 175.328 -0.152 0.000 1.092 258 H CA 0.981 56.977 56.048 -0.086 0.000 1.420 258 H CB 1.345 30.984 29.762 -0.205 0.000 1.400 258 H HN 0.804 nan 8.280 nan 0.000 0.604 259 G N 3.957 112.466 108.800 -0.486 0.000 2.440 259 G HA2 -0.275 2.905 3.960 -1.300 0.000 0.218 259 G HA3 -0.275 2.905 3.960 -1.300 0.000 0.218 259 G C 0.950 175.855 174.900 0.009 0.000 1.154 259 G CA 1.082 46.042 45.100 -0.233 0.000 0.767 259 G HN 0.688 nan 8.290 nan 0.000 0.552 260 F N -0.893 119.209 119.950 0.253 0.000 2.706 260 F HA 0.562 4.309 4.527 -1.300 0.000 0.313 260 F C 0.128 176.022 175.800 0.157 0.000 1.096 260 F CA -1.423 56.684 58.000 0.178 0.000 1.219 260 F CB 0.198 39.274 39.000 0.127 0.000 1.051 260 F HN -0.174 nan 8.300 nan 0.000 0.568 261 K N 2.349 122.884 120.400 0.225 0.000 2.507 261 K HA 0.266 3.806 4.320 -1.300 0.000 0.253 261 K C -0.690 175.873 176.600 -0.062 0.000 0.969 261 K CA -0.523 55.765 56.287 0.002 0.000 0.908 261 K CB 1.110 33.375 32.500 -0.393 0.000 1.127 261 K HN 0.071 nan 8.250 nan 0.000 0.437 262 N N 0.912 119.588 118.700 -0.040 0.000 2.479 262 N HA 0.028 3.988 4.740 -1.300 0.000 0.257 262 N C 1.006 176.432 175.510 -0.140 0.000 1.232 262 N CA 1.175 54.169 53.050 -0.092 0.000 0.920 262 N CB 1.245 39.713 38.487 -0.032 0.000 1.105 262 N HN 0.917 nan 8.380 nan 0.000 0.444 263 G N 0.089 108.755 108.800 -0.223 0.000 2.176 263 G HA2 -0.247 2.933 3.960 -1.300 0.000 0.253 263 G HA3 -0.247 2.933 3.960 -1.300 0.000 0.253 263 G C -0.203 174.570 174.900 -0.211 0.000 0.979 263 G CA -0.057 44.956 45.100 -0.146 0.000 0.641 263 G HN 0.537 nan 8.290 nan 0.000 0.530 264 V N 1.146 120.821 119.914 -0.398 0.000 2.409 264 V HA 0.785 4.125 4.120 -1.300 0.000 0.291 264 V C -0.877 174.960 176.094 -0.429 0.000 1.020 264 V CA -1.025 61.097 62.300 -0.297 0.000 0.848 264 V CB 1.012 32.668 31.823 -0.279 0.000 0.990 264 V HN 0.229 nan 8.190 nan 0.000 0.430 265 F N 6.058 125.992 119.950 -0.027 0.000 2.458 265 F HA 0.605 4.353 4.527 -1.299 0.000 0.336 265 F C -0.154 175.743 175.800 0.161 0.000 1.114 265 F CA -0.582 57.501 58.000 0.139 0.000 0.987 265 F CB 1.609 40.757 39.000 0.246 0.000 1.130 265 F HN 0.335 nan 8.300 nan 0.000 0.458 266 F N 1.929 122.098 119.950 0.366 0.000 2.385 266 F HA 0.634 4.381 4.527 -1.300 0.000 0.336 266 F C 0.498 176.255 175.800 -0.072 0.000 1.100 266 F CA -0.668 57.417 58.000 0.141 0.000 1.116 266 F CB 1.102 40.120 39.000 0.029 0.000 1.166 266 F HN 0.502 nan 8.300 nan 0.000 0.511 267 A N 3.307 125.988 122.820 -0.232 0.000 2.306 267 A HA 0.711 4.251 4.320 -1.300 0.000 0.314 267 A C -0.832 176.515 177.584 -0.395 0.000 1.164 267 A CA -0.536 50.989 52.037 -0.853 0.000 0.822 267 A CB 0.715 18.992 19.000 -1.206 0.000 1.130 267 A HN 0.785 nan 8.150 nan 0.000 0.496 268 Q N 0.016 119.571 119.800 -0.408 0.000 2.331 268 Q HA 0.620 4.180 4.340 -1.300 0.000 0.272 268 Q C -1.080 174.798 176.000 -0.203 0.000 1.062 268 Q CA -0.705 54.966 55.803 -0.221 0.000 0.806 268 Q CB 2.546 31.200 28.738 -0.140 0.000 1.312 268 Q HN 0.917 nan 8.270 nan 0.000 0.431 269 A N 2.279 125.016 122.820 -0.138 0.000 2.335 269 A HA 0.446 3.986 4.320 -1.300 0.000 0.304 269 A C -0.719 176.808 177.584 -0.095 0.000 1.118 269 A CA -0.733 51.230 52.037 -0.123 0.000 0.757 269 A CB 1.060 19.995 19.000 -0.108 0.000 1.188 269 A HN 0.681 nan 8.150 nan 0.000 0.460 270 K N 1.918 122.245 120.400 -0.123 0.000 2.484 270 K HA 0.301 3.841 4.320 -1.300 0.000 0.280 270 K C 1.119 177.449 176.600 -0.450 0.000 1.013 270 K CA 1.327 57.502 56.287 -0.187 0.000 1.029 270 K CB 0.008 32.302 32.500 -0.345 0.000 0.902 270 K HN 1.925 nan 8.250 nan 0.000 0.481 271 G N 3.453 112.014 108.800 -0.398 0.000 2.155 271 G HA2 -0.304 2.876 3.960 -1.300 0.000 0.257 271 G HA3 -0.304 2.876 3.960 -1.300 0.000 0.257 271 G C -0.261 174.575 174.900 -0.106 0.000 0.983 271 G CA 0.580 45.425 45.100 -0.426 0.000 0.676 271 G HN 0.674 nan 8.290 nan 0.000 0.528 272 R N -1.039 119.433 120.500 -0.047 0.000 2.725 272 R HA 0.678 4.238 4.340 -1.300 0.000 0.277 272 R C -0.133 176.189 176.300 0.037 0.000 0.987 272 R CA -0.992 55.124 56.100 0.026 0.000 0.901 272 R CB 1.492 31.817 30.300 0.043 0.000 1.207 272 R HN 0.138 nan 8.270 nan 0.000 0.463 273 L N 2.993 124.249 121.223 0.055 0.000 2.357 273 L HA 0.548 4.108 4.340 -1.300 0.000 0.273 273 L C -0.143 176.735 176.870 0.013 0.000 1.080 273 L CA -0.660 54.199 54.840 0.032 0.000 0.803 273 L CB 1.059 43.144 42.059 0.043 0.000 1.174 273 L HN 0.429 nan 8.230 nan 0.000 0.443 274 I N 4.032 124.598 120.570 -0.006 0.000 2.382 274 I HA 0.355 3.745 4.170 -1.300 0.000 0.286 274 I C -0.702 175.425 176.117 0.016 0.000 1.002 274 I CA -0.392 60.904 61.300 -0.005 0.000 1.135 274 I CB 1.723 39.703 38.000 -0.033 0.000 1.288 274 I HN 0.322 nan 8.210 nan 0.000 0.448 275 I N 4.843 125.431 120.570 0.031 0.000 2.410 275 I HA 0.240 3.630 4.170 -1.300 0.000 0.286 275 I C -0.457 175.747 176.117 0.145 0.000 1.009 275 I CA -0.504 60.859 61.300 0.105 0.000 1.111 275 I CB 1.556 39.655 38.000 0.165 0.000 1.262 275 I HN 0.513 nan 8.210 nan 0.000 0.443 276 D N 4.168 124.635 120.400 0.111 0.000 2.277 276 D HA 0.342 4.202 4.640 -1.300 0.000 0.249 276 D C 1.384 177.663 176.300 -0.035 0.000 1.134 276 D CA -0.153 53.867 54.000 0.035 0.000 0.863 276 D CB 1.937 42.715 40.800 -0.037 0.000 1.143 276 D HN 0.694 nan 8.370 nan 0.000 0.458 277 G N 3.460 112.246 108.800 -0.025 0.000 2.442 277 G HA2 -0.221 2.959 3.960 -1.300 0.000 0.219 277 G HA3 -0.221 2.959 3.960 -1.300 0.000 0.219 277 G C 1.537 176.048 174.900 -0.648 0.000 1.141 277 G CA 0.616 45.585 45.100 -0.219 0.000 0.763 277 G HN 0.651 nan 8.290 nan 0.000 0.554 278 I N 0.368 120.356 120.570 -0.970 0.000 2.142 278 I HA -0.107 3.283 4.170 -1.300 0.000 0.240 278 I C 2.725 178.493 176.117 -0.581 0.000 1.078 278 I CA 1.044 61.852 61.300 -0.820 0.000 1.343 278 I CB -0.156 37.359 38.000 -0.808 0.000 1.046 278 I HN 0.056 nan 8.210 nan 0.000 0.405 279 E N 0.995 120.925 120.200 -0.450 0.000 2.106 279 E HA -0.161 3.409 4.350 -1.300 0.000 0.192 279 E C 2.294 178.534 176.600 -0.599 0.000 0.984 279 E CA 1.373 57.516 56.400 -0.429 0.000 0.806 279 E CB -0.361 29.211 29.700 -0.214 0.000 0.750 279 E HN 0.491 nan 8.360 nan 0.000 0.458 280 A N 0.947 123.494 122.820 -0.455 0.000 1.877 280 A HA -0.163 3.377 4.320 -1.300 0.000 0.216 280 A C 2.239 179.617 177.584 -0.343 0.000 1.186 280 A CA 1.207 53.002 52.037 -0.403 0.000 0.620 280 A CB -0.586 18.275 19.000 -0.232 0.000 0.822 280 A HN 0.168 nan 8.150 nan 0.000 0.443 281 L N -0.155 120.895 121.223 -0.288 0.000 2.083 281 L HA -0.133 3.427 4.340 -1.300 0.000 0.209 281 L C 2.379 179.267 176.870 0.030 0.000 1.083 281 L CA 1.934 56.720 54.840 -0.090 0.000 0.752 281 L CB -0.540 41.576 42.059 0.094 0.000 0.899 281 L HN 0.329 nan 8.230 nan 0.000 0.433 282 K N -0.796 119.510 120.400 -0.156 0.000 2.097 282 K HA -0.162 3.378 4.320 -1.300 0.000 0.206 282 K C 2.295 178.701 176.600 -0.323 0.000 1.049 282 K CA 1.549 57.713 56.287 -0.204 0.000 0.933 282 K CB -0.273 31.989 32.500 -0.396 0.000 0.717 282 K HN 0.441 nan 8.250 nan 0.000 0.442 283 S N 0.603 116.062 115.700 -0.401 0.000 2.423 283 S HA -0.077 3.613 4.470 -1.300 0.000 0.231 283 S C 1.813 176.073 174.600 -0.567 0.000 1.014 283 S CA 0.987 58.934 58.200 -0.422 0.000 0.965 283 S CB -0.014 62.994 63.200 -0.320 0.000 0.785 283 S HN 0.253 nan 8.310 nan 0.000 0.495 284 A N -0.435 122.100 122.820 -0.475 0.000 2.415 284 A HA 0.599 4.139 4.320 -1.300 0.000 0.248 284 A C 0.502 177.924 177.584 -0.270 0.000 1.299 284 A CA -0.362 51.314 52.037 -0.602 0.000 0.899 284 A CB -0.994 17.499 19.000 -0.846 0.000 0.997 284 A HN 0.620 nan 8.150 nan 0.000 0.506 285 F N -4.621 115.301 119.950 -0.047 0.000 2.953 285 F HA -0.229 3.517 4.527 -1.301 0.000 0.292 285 F C 0.096 175.812 175.800 -0.139 0.000 0.747 285 F CA 0.108 58.057 58.000 -0.086 0.000 1.222 285 F CB -2.673 36.240 39.000 -0.145 0.000 1.457 285 F HN 0.454 nan 8.300 nan 0.000 0.383 286 W N 1.487 122.791 121.300 0.005 0.000 2.218 286 W HA 0.522 4.402 4.660 -1.300 0.000 0.326 286 W C 0.683 177.149 176.519 -0.089 0.000 1.276 286 W CA 0.040 57.342 57.345 -0.071 0.000 1.210 286 W CB 0.312 29.801 29.460 0.049 0.000 1.143 286 W HN -0.071 nan 8.180 nan 0.000 0.563 287 N N 1.809 120.333 118.700 -0.293 0.000 2.235 287 N HA 0.540 4.500 4.740 -1.300 0.000 0.293 287 N C -1.757 173.237 175.510 -0.859 0.000 1.083 287 N CA -0.783 52.097 53.050 -0.282 0.000 0.801 287 N CB 1.327 39.765 38.487 -0.082 0.000 1.559 287 N HN 0.172 nan 8.380 nan 0.000 0.472 288 F N -0.601 119.230 119.950 -0.198 0.000 2.643 288 F HA 0.261 4.009 4.527 -1.300 0.000 0.314 288 F C 1.766 177.495 175.800 -0.118 0.000 1.096 288 F CA -0.741 57.124 58.000 -0.225 0.000 0.953 288 F CB 1.336 40.068 39.000 -0.446 0.000 1.345 288 F HN 0.444 nan 8.300 nan 0.000 0.468 289 S N -0.730 115.044 115.700 0.124 0.000 2.419 289 S HA -0.011 3.679 4.470 -1.300 0.000 0.233 289 S C 0.589 175.258 174.600 0.115 0.000 1.016 289 S CA 0.903 59.160 58.200 0.095 0.000 0.974 289 S CB -0.193 63.051 63.200 0.073 0.000 0.786 289 S HN 0.637 nan 8.310 nan 0.000 0.492 290 S N -1.151 114.613 115.700 0.106 0.000 2.550 290 S HA 0.612 4.302 4.470 -1.300 0.000 0.270 290 S C -1.031 173.623 174.600 0.090 0.000 1.145 290 S CA -0.836 57.449 58.200 0.142 0.000 0.852 290 S CB 0.588 63.854 63.200 0.110 0.000 1.119 290 S HN 0.112 nan 8.310 nan 0.000 0.465 291 F N 2.771 122.824 119.950 0.170 0.000 2.645 291 F HA 0.279 4.026 4.527 -1.300 0.000 0.300 291 F C 1.569 177.552 175.800 0.306 0.000 1.115 291 F CA 0.162 58.285 58.000 0.206 0.000 1.355 291 F CB 0.324 39.407 39.000 0.138 0.000 1.026 291 F HN 0.662 nan 8.300 nan 0.000 0.536 292 S N -0.094 115.784 115.700 0.297 0.000 2.584 292 S HA 0.010 3.700 4.470 -1.300 0.000 0.270 292 S C 1.296 175.956 174.600 0.100 0.000 1.346 292 S CA -0.662 57.694 58.200 0.259 0.000 1.018 292 S CB 1.018 64.275 63.200 0.094 0.000 0.899 292 S HN 0.294 nan 8.310 nan 0.000 0.542 293 L N 1.169 122.305 121.223 -0.145 0.000 2.083 293 L HA 0.007 3.567 4.340 -1.300 0.000 0.209 293 L C 2.507 179.097 176.870 -0.467 0.000 1.083 293 L CA 2.295 56.685 54.840 -0.751 0.000 0.752 293 L CB -1.298 40.255 42.059 -0.843 0.000 0.899 293 L HN 0.981 nan 8.230 nan 0.000 0.433 294 E N -0.930 119.115 120.200 -0.258 0.000 2.051 294 E HA -0.182 3.388 4.350 -1.300 0.000 0.192 294 E C 2.045 178.539 176.600 -0.176 0.000 0.991 294 E CA 2.105 58.392 56.400 -0.188 0.000 0.799 294 E CB -0.433 29.205 29.700 -0.104 0.000 0.748 294 E HN 0.512 nan 8.360 nan 0.000 0.449 295 T N -0.271 114.193 114.554 -0.150 0.000 2.737 295 T HA -0.086 3.484 4.350 -1.300 0.000 0.265 295 T C 1.903 176.453 174.700 -0.249 0.000 1.038 295 T CA 1.356 63.374 62.100 -0.136 0.000 1.144 295 T CB -0.329 68.493 68.868 -0.076 0.000 0.866 295 T HN 0.006 nan 8.240 nan 0.000 0.434 296 V N 1.736 121.400 119.914 -0.416 0.000 2.407 296 V HA -0.148 3.192 4.120 -1.300 0.000 0.248 296 V C 2.864 178.659 176.094 -0.499 0.000 1.055 296 V CA 1.638 63.499 62.300 -0.731 0.000 1.049 296 V CB -1.165 30.169 31.823 -0.814 0.000 0.662 296 V HN 0.518 nan 8.190 nan 0.000 0.455 297 A N -1.152 121.417 122.820 -0.418 0.000 1.902 297 A HA -0.250 3.290 4.320 -1.300 0.000 0.217 297 A C 2.249 179.721 177.584 -0.187 0.000 1.181 297 A CA 1.718 53.572 52.037 -0.305 0.000 0.623 297 A CB -0.484 18.332 19.000 -0.306 0.000 0.818 297 A HN 0.487 nan 8.150 nan 0.000 0.443 298 Q N -0.179 119.525 119.800 -0.160 0.000 2.050 298 Q HA -0.186 3.374 4.340 -1.300 0.000 0.202 298 Q C 1.980 177.952 176.000 -0.045 0.000 0.980 298 Q CA 1.921 57.672 55.803 -0.087 0.000 0.840 298 Q CB -0.213 28.483 28.738 -0.071 0.000 0.898 298 Q HN 0.816 nan 8.270 nan 0.000 0.424 299 E N -0.143 120.036 120.200 -0.035 0.000 2.072 299 E HA -0.148 3.422 4.350 -1.300 0.000 0.190 299 E C 2.089 178.745 176.600 0.093 0.000 0.982 299 E CA 0.698 57.136 56.400 0.065 0.000 0.803 299 E CB 0.028 29.840 29.700 0.187 0.000 0.755 299 E HN 0.181 nan 8.360 nan 0.000 0.453 300 L N 0.060 121.308 121.223 0.041 0.000 2.131 300 L HA -0.054 3.506 4.340 -1.300 0.000 0.206 300 L C 2.148 179.028 176.870 0.017 0.000 1.087 300 L CA 1.322 56.198 54.840 0.060 0.000 0.767 300 L CB -0.091 41.958 42.059 -0.017 0.000 0.917 300 L HN 0.077 nan 8.230 nan 0.000 0.441 301 L N -2.092 119.113 121.223 -0.031 0.000 2.701 301 L HA 0.416 3.976 4.340 -1.300 0.000 0.238 301 L C 1.333 178.190 176.870 -0.022 0.000 1.106 301 L CA 0.487 55.310 54.840 -0.028 0.000 0.898 301 L CB -0.086 41.938 42.059 -0.058 0.000 1.188 301 L HN 0.326 nan 8.230 nan 0.000 0.508 302 G N 1.344 110.131 108.800 -0.022 0.000 2.143 302 G HA2 -0.319 2.861 3.960 -1.300 0.000 0.248 302 G HA3 -0.319 2.861 3.960 -1.300 0.000 0.248 302 G C 0.068 174.951 174.900 -0.029 0.000 0.991 302 G CA 0.328 45.418 45.100 -0.016 0.000 0.689 302 G HN 0.404 nan 8.290 nan 0.000 0.522 303 E N 0.791 120.961 120.200 -0.051 0.000 2.290 303 E HA 0.525 4.095 4.350 -1.300 0.000 0.277 303 E C 1.206 177.776 176.600 -0.051 0.000 1.035 303 E CA 0.489 56.854 56.400 -0.057 0.000 0.873 303 E CB 0.231 29.879 29.700 -0.087 0.000 1.029 303 E HN 0.614 nan 8.360 nan 0.000 0.419 304 G N 4.196 112.975 108.800 -0.035 0.000 2.491 304 G HA2 0.075 3.255 3.960 -1.300 0.000 0.242 304 G HA3 0.075 3.255 3.960 -1.300 0.000 0.242 304 G C -0.288 174.595 174.900 -0.029 0.000 1.266 304 G CA -0.511 44.574 45.100 -0.026 0.000 0.844 304 G HN 0.526 nan 8.290 nan 0.000 0.571 305 K N 0.107 120.492 120.400 -0.024 0.000 2.118 305 K HA 0.339 3.879 4.320 -1.300 0.000 0.240 305 K C 0.874 177.469 176.600 -0.008 0.000 1.035 305 K CA -0.250 56.024 56.287 -0.022 0.000 0.899 305 K CB 0.851 33.339 32.500 -0.019 0.000 1.085 305 K HN 0.511 nan 8.250 nan 0.000 0.498 310 P HA -0.166 nan 4.420 nan 0.000 0.216 310 P C 0.853 178.055 177.300 -0.164 0.000 1.153 310 P CA 1.376 64.373 63.100 -0.172 0.000 0.858 310 P CB -0.013 31.492 31.700 -0.324 0.000 0.789 311 W N 0.877 122.169 121.300 -0.013 0.000 2.358 311 W HA -0.106 3.774 4.660 -1.300 0.000 0.303 311 W C 2.366 178.878 176.519 -0.012 0.000 1.208 311 W CA 1.050 58.388 57.345 -0.011 0.000 1.274 311 W CB -1.072 28.385 29.460 -0.005 0.000 1.138 311 W HN -0.021 nan 8.180 nan 0.000 0.515 312 D N -0.279 120.247 120.400 0.211 0.000 2.144 312 D HA -0.153 3.707 4.640 -1.300 0.000 0.200 312 D C 2.119 178.447 176.300 0.046 0.000 0.978 312 D CA 1.054 55.120 54.000 0.110 0.000 0.833 312 D CB -0.398 40.449 40.800 0.079 0.000 0.961 312 D HN 0.200 nan 8.370 nan 0.000 0.470 313 R N 0.567 121.078 120.500 0.018 0.000 2.081 313 R HA -0.156 3.404 4.340 -1.300 0.000 0.235 313 R C 2.216 178.492 176.300 -0.040 0.000 1.131 313 R CA 1.120 57.200 56.100 -0.034 0.000 0.960 313 R CB -0.235 30.046 30.300 -0.032 0.000 0.856 313 R HN 0.029 nan 8.270 nan 0.000 0.436 314 M N 1.515 121.109 119.600 -0.010 0.000 2.117 314 M HA -0.133 3.567 4.480 -1.300 0.000 0.262 314 M C 1.185 177.510 176.300 0.042 0.000 1.065 314 M CA 1.811 57.116 55.300 0.008 0.000 1.114 314 M CB -0.259 32.341 32.600 -0.000 0.000 1.361 314 M HN 0.094 nan 8.290 nan 0.000 0.408 315 D N -0.206 120.232 120.400 0.063 0.000 2.144 315 D HA -0.158 3.702 4.640 -1.300 0.000 0.199 315 D C 2.000 178.312 176.300 0.021 0.000 0.984 315 D CA 1.026 55.062 54.000 0.061 0.000 0.834 315 D CB -0.303 40.541 40.800 0.073 0.000 0.955 315 D HN 0.381 nan 8.370 nan 0.000 0.465 316 E N 0.642 120.833 120.200 -0.016 0.000 2.077 316 E HA -0.090 3.480 4.350 -1.300 0.000 0.193 316 E C 2.412 178.956 176.600 -0.094 0.000 0.989 316 E CA 0.273 56.637 56.400 -0.061 0.000 0.800 316 E CB -0.245 29.393 29.700 -0.104 0.000 0.746 316 E HN 0.382 nan 8.360 nan 0.000 0.452 317 I N 1.273 121.777 120.570 -0.110 0.000 2.226 317 I HA -0.268 3.122 4.170 -1.300 0.000 0.245 317 I C 1.854 177.941 176.117 -0.051 0.000 1.100 317 I CA 1.120 62.355 61.300 -0.108 0.000 1.374 317 I CB -0.191 37.786 38.000 -0.039 0.000 1.057 317 I HN -0.019 nan 8.210 nan 0.000 0.413 318 D N 0.468 120.882 120.400 0.023 0.000 2.117 318 D HA -0.201 3.659 4.640 -1.300 0.000 0.197 318 D C 2.188 178.511 176.300 0.039 0.000 0.987 318 D CA 1.076 55.112 54.000 0.060 0.000 0.829 318 D CB -0.322 40.553 40.800 0.126 0.000 0.961 318 D HN 0.258 nan 8.370 nan 0.000 0.460 319 R N 0.888 121.399 120.500 0.018 0.000 2.081 319 R HA -0.062 3.498 4.340 -1.300 0.000 0.235 319 R C 2.191 178.481 176.300 -0.016 0.000 1.131 319 R CA 0.976 57.080 56.100 0.006 0.000 0.960 319 R CB 0.091 30.390 30.300 -0.001 0.000 0.856 319 R HN 0.095 nan 8.270 nan 0.000 0.436 320 R N -0.583 119.898 120.500 -0.031 0.000 2.081 320 R HA -0.151 3.409 4.340 -1.300 0.000 0.235 320 R C 2.220 178.502 176.300 -0.029 0.000 1.131 320 R CA 1.562 57.642 56.100 -0.033 0.000 0.960 320 R CB -0.474 29.799 30.300 -0.044 0.000 0.856 320 R HN 0.245 nan 8.270 nan 0.000 0.436 321 F N 1.525 121.339 119.950 -0.225 0.000 2.146 321 F HA -0.108 3.639 4.527 -1.300 0.000 0.298 321 F C 2.272 177.982 175.800 -0.149 0.000 1.096 321 F CA 1.221 59.048 58.000 -0.289 0.000 1.275 321 F CB -0.290 38.256 39.000 -0.756 0.000 1.008 321 F HN -0.036 nan 8.300 nan 0.000 0.480 322 A N 0.357 123.124 122.820 -0.089 0.000 1.873 322 A HA -0.171 3.369 4.320 -1.300 0.000 0.215 322 A C 2.013 179.516 177.584 -0.135 0.000 1.186 322 A CA 1.944 53.915 52.037 -0.109 0.000 0.616 322 A CB -0.693 18.314 19.000 0.011 0.000 0.823 322 A HN 0.613 nan 8.150 nan 0.000 0.442 323 E N -1.963 118.184 120.200 -0.089 0.000 2.330 323 E HA 0.103 3.673 4.350 -1.300 0.000 0.200 323 E C -0.436 176.124 176.600 -0.067 0.000 0.922 323 E CA 0.352 56.709 56.400 -0.071 0.000 0.935 323 E CB 0.277 29.954 29.700 -0.039 0.000 0.917 323 E HN 0.315 nan 8.360 nan 0.000 0.491 324 D N 0.579 120.945 120.400 -0.057 0.000 2.363 324 D HA 0.179 4.039 4.640 -1.300 0.000 0.258 324 D C 0.082 176.380 176.300 -0.004 0.000 1.259 324 D CA -0.217 53.767 54.000 -0.026 0.000 0.921 324 D CB 0.849 41.644 40.800 -0.008 0.000 1.201 324 D HN -0.117 nan 8.370 nan 0.000 0.524 325 K N 1.378 121.779 120.400 0.003 0.000 2.097 325 K HA -0.036 3.504 4.320 -1.300 0.000 0.205 325 K C -1.022 175.643 176.600 0.108 0.000 1.050 325 K CA 0.923 57.251 56.287 0.067 0.000 0.938 325 K CB -0.201 32.377 32.500 0.130 0.000 0.718 325 K HN 0.291 nan 8.250 nan 0.000 0.442 326 P HA -0.167 nan 4.420 nan 0.000 0.215 326 P C 0.992 178.372 177.300 0.134 0.000 1.153 326 P CA 1.537 64.698 63.100 0.102 0.000 0.853 326 P CB 0.049 31.782 31.700 0.054 0.000 0.788 327 A N -0.864 122.012 122.820 0.094 0.000 1.930 327 A HA -0.166 3.374 4.320 -1.300 0.000 0.217 327 A C 2.101 179.758 177.584 0.122 0.000 1.175 327 A CA 1.284 53.378 52.037 0.096 0.000 0.627 327 A CB -1.577 17.453 19.000 0.050 0.000 0.815 327 A HN 0.144 nan 8.150 nan 0.000 0.443 328 L N -0.242 121.047 121.223 0.110 0.000 2.056 328 L HA -0.016 3.544 4.340 -1.300 0.000 0.207 328 L C 2.653 179.636 176.870 0.188 0.000 1.078 328 L CA 2.136 57.057 54.840 0.135 0.000 0.749 328 L CB -0.832 41.298 42.059 0.120 0.000 0.901 328 L HN 0.323 nan 8.230 nan 0.000 0.433 329 A N -1.609 121.313 122.820 0.169 0.000 1.933 329 A HA -0.201 3.339 4.320 -1.300 0.000 0.218 329 A C 2.253 179.847 177.584 0.017 0.000 1.175 329 A CA 2.264 54.380 52.037 0.132 0.000 0.628 329 A CB -1.196 17.965 19.000 0.269 0.000 0.814 329 A HN 0.513 nan 8.150 nan 0.000 0.444 330 T N -1.563 113.095 114.554 0.173 0.000 2.746 330 T HA -0.171 3.399 4.350 -1.300 0.000 0.267 330 T C 1.788 176.497 174.700 0.015 0.000 1.039 330 T CA 1.682 63.839 62.100 0.095 0.000 1.142 330 T CB -0.426 68.567 68.868 0.209 0.000 0.866 330 T HN 0.631 nan 8.240 nan 0.000 0.444 331 Y N 2.595 122.875 120.300 -0.032 0.000 2.200 331 Y HA -0.144 3.626 4.550 -1.300 0.000 0.290 331 Y C 2.436 178.288 175.900 -0.081 0.000 1.137 331 Y CA 1.462 59.534 58.100 -0.046 0.000 1.163 331 Y CB -0.492 37.959 38.460 -0.015 0.000 0.988 331 Y HN 0.089 nan 8.280 nan 0.000 0.518 332 N N 0.793 119.468 118.700 -0.041 0.000 2.058 332 N HA -0.200 3.760 4.740 -1.300 0.000 0.191 332 N C 1.827 177.179 175.510 -0.264 0.000 1.037 332 N CA 1.791 54.755 53.050 -0.144 0.000 0.848 332 N CB -0.694 37.786 38.487 -0.011 0.000 1.021 332 N HN 0.485 nan 8.380 nan 0.000 0.422 333 L N 1.297 122.320 121.223 -0.334 0.000 2.141 333 L HA -0.007 3.553 4.340 -1.300 0.000 0.209 333 L C 2.225 178.902 176.870 -0.322 0.000 1.094 333 L CA 1.621 56.212 54.840 -0.413 0.000 0.763 333 L CB -0.638 40.975 42.059 -0.744 0.000 0.908 333 L HN 0.169 nan 8.230 nan 0.000 0.437 334 K N -0.767 119.456 120.400 -0.295 0.000 2.097 334 K HA -0.175 3.365 4.320 -1.300 0.000 0.206 334 K C 1.798 178.234 176.600 -0.273 0.000 1.049 334 K CA 1.400 57.541 56.287 -0.244 0.000 0.933 334 K CB -0.021 32.356 32.500 -0.205 0.000 0.717 334 K HN 0.397 nan 8.250 nan 0.000 0.442 335 N N 0.703 119.191 118.700 -0.353 0.000 2.166 335 N HA -0.142 3.818 4.740 -1.300 0.000 0.186 335 N C 1.842 177.211 175.510 -0.235 0.000 1.019 335 N CA 1.149 54.000 53.050 -0.331 0.000 0.856 335 N CB -0.660 37.602 38.487 -0.375 0.000 0.993 335 N HN 0.262 nan 8.380 nan 0.000 0.426 336 C N 1.164 120.336 119.300 -0.213 0.000 2.432 336 C HA -0.041 3.639 4.460 -1.300 0.000 0.277 336 C C 2.505 177.411 174.990 -0.140 0.000 1.249 336 C CA 0.383 59.302 59.018 -0.166 0.000 1.725 336 C CB -0.864 26.766 27.740 -0.183 0.000 2.028 336 C HN 0.525 nan 8.230 nan 0.000 0.477 337 E N 0.555 120.666 120.200 -0.148 0.000 2.150 337 E HA -0.138 3.432 4.350 -1.300 0.000 0.193 337 E C 2.070 178.618 176.600 -0.086 0.000 0.985 337 E CA 0.881 57.222 56.400 -0.099 0.000 0.814 337 E CB -0.176 29.461 29.700 -0.105 0.000 0.752 337 E HN 0.629 nan 8.360 nan 0.000 0.466 338 L N 0.460 121.597 121.223 -0.144 0.000 2.083 338 L HA -0.170 3.390 4.340 -1.300 0.000 0.209 338 L C 2.421 179.196 176.870 -0.159 0.000 1.083 338 L CA 0.731 55.469 54.840 -0.170 0.000 0.752 338 L CB -0.341 41.564 42.059 -0.258 0.000 0.899 338 L HN 0.072 nan 8.230 nan 0.000 0.433 339 V N -0.682 119.146 119.914 -0.144 0.000 2.358 339 V HA -0.252 3.088 4.120 -1.300 0.000 0.246 339 V C 2.543 178.671 176.094 0.056 0.000 1.047 339 V CA 2.222 64.502 62.300 -0.032 0.000 1.035 339 V CB -0.639 31.185 31.823 0.003 0.000 0.658 339 V HN 0.462 nan 8.190 nan 0.000 0.452 340 T N -0.756 113.797 114.554 -0.000 0.000 2.746 340 T HA -0.217 3.353 4.350 -1.300 0.000 0.267 340 T C 1.995 176.834 174.700 0.230 0.000 1.039 340 T CA 1.309 63.471 62.100 0.103 0.000 1.142 340 T CB -0.252 68.700 68.868 0.140 0.000 0.866 340 T HN 0.367 nan 8.240 nan 0.000 0.444 341 Q N 0.445 120.344 119.800 0.165 0.000 2.124 341 Q HA 0.074 3.634 4.340 -1.300 0.000 0.202 341 Q C 2.424 178.510 176.000 0.143 0.000 0.977 341 Q CA 1.056 56.965 55.803 0.177 0.000 0.850 341 Q CB -0.566 28.210 28.738 0.063 0.000 0.901 341 Q HN 0.544 nan 8.270 nan 0.000 0.429 342 I N -0.212 120.403 120.570 0.075 0.000 2.226 342 I HA -0.261 3.129 4.170 -1.300 0.000 0.245 342 I C 2.002 178.149 176.117 0.050 0.000 1.100 342 I CA 1.055 62.359 61.300 0.005 0.000 1.374 342 I CB -0.275 37.683 38.000 -0.069 0.000 1.057 342 I HN 0.067 nan 8.210 nan 0.000 0.413 343 F N 0.053 119.963 119.950 -0.066 0.000 2.134 343 F HA -0.265 3.482 4.527 -1.300 0.000 0.299 343 F C 2.720 178.528 175.800 0.013 0.000 1.097 343 F CA 1.357 59.290 58.000 -0.112 0.000 1.264 343 F CB -0.355 38.466 39.000 -0.298 0.000 1.001 343 F HN 0.145 nan 8.300 nan 0.000 0.479 344 H N -0.277 119.030 119.070 0.395 0.000 2.357 344 H HA -0.133 3.643 4.556 -1.300 0.000 0.301 344 H C 2.133 177.542 175.328 0.136 0.000 1.082 344 H CA 1.558 57.770 56.048 0.274 0.000 1.342 344 H CB -0.420 29.454 29.762 0.188 0.000 1.389 344 H HN 0.081 nan 8.280 nan 0.000 0.511 345 K N 0.888 121.405 120.400 0.196 0.000 2.063 345 K HA -0.107 3.433 4.320 -1.300 0.000 0.208 345 K C 2.084 178.707 176.600 0.039 0.000 1.048 345 K CA 1.940 58.284 56.287 0.095 0.000 0.928 345 K CB -0.345 32.174 32.500 0.032 0.000 0.713 345 K HN 0.397 nan 8.250 nan 0.000 0.442 346 T N -2.079 112.398 114.554 -0.128 0.000 3.113 346 T HA 0.090 3.660 4.350 -1.300 0.000 0.256 346 T C 0.057 174.793 174.700 0.060 0.000 1.131 346 T CA 0.363 62.297 62.100 -0.276 0.000 1.074 346 T CB -0.384 67.919 68.868 -0.943 0.000 0.944 346 T HN 0.401 nan 8.240 nan 0.000 0.516 347 E N -0.400 119.870 120.200 0.118 0.000 2.440 347 E HA -0.209 3.361 4.350 -1.300 0.000 0.246 347 E C 0.556 177.263 176.600 0.178 0.000 1.165 347 E CA 0.281 56.800 56.400 0.199 0.000 0.726 347 E CB -1.558 28.277 29.700 0.225 0.000 1.271 347 E HN 0.491 nan 8.360 nan 0.000 0.397 348 I N -0.158 120.433 120.570 0.036 0.000 2.286 348 I HA -0.258 3.132 4.170 -1.300 0.000 0.248 348 I C 1.967 178.158 176.117 0.123 0.000 1.115 348 I CA 1.531 62.818 61.300 -0.022 0.000 1.392 348 I CB 0.013 37.771 38.000 -0.403 0.000 1.065 348 I HN 0.261 nan 8.210 nan 0.000 0.418 349 M N 0.249 119.935 119.600 0.144 0.000 2.132 349 M HA -0.053 3.647 4.480 -1.300 0.000 0.263 349 M C -0.141 176.262 176.300 0.172 0.000 1.065 349 M CA 1.782 57.185 55.300 0.172 0.000 1.122 349 M CB -2.533 30.226 32.600 0.266 0.000 1.365 349 M HN 0.093 nan 8.290 nan 0.000 0.411 350 P HA -0.155 nan 4.420 nan 0.000 0.216 350 P C 1.701 179.100 177.300 0.165 0.000 1.153 350 P CA 1.082 64.268 63.100 0.142 0.000 0.848 350 P CB -0.349 31.448 31.700 0.161 0.000 0.787 351 F N 0.281 120.286 119.950 0.093 0.000 2.095 351 F HA -0.189 3.558 4.527 -1.300 0.000 0.298 351 F C 1.922 177.777 175.800 0.092 0.000 1.104 351 F CA 1.553 59.616 58.000 0.104 0.000 1.232 351 F CB -0.921 38.158 39.000 0.132 0.000 0.987 351 F HN -0.260 nan 8.300 nan 0.000 0.475 352 L N -0.082 121.262 121.223 0.202 0.000 2.083 352 L HA -0.229 3.331 4.340 -1.300 0.000 0.209 352 L C 2.467 179.339 176.870 0.004 0.000 1.083 352 L CA 1.039 55.925 54.840 0.076 0.000 0.752 352 L CB -0.707 41.458 42.059 0.178 0.000 0.899 352 L HN 0.276 nan 8.230 nan 0.000 0.433 353 L N -0.851 120.379 121.223 0.012 0.000 2.056 353 L HA -0.168 3.392 4.340 -1.300 0.000 0.207 353 L C 2.733 179.651 176.870 0.079 0.000 1.078 353 L CA 0.971 55.817 54.840 0.009 0.000 0.749 353 L CB -0.550 41.391 42.059 -0.197 0.000 0.901 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 E N 0.105 120.299 120.200 -0.011 0.000 2.077 354 E HA -0.226 3.344 4.350 -1.300 0.000 0.193 354 E C 2.168 178.725 176.600 -0.073 0.000 0.989 354 E CA 1.014 57.403 56.400 -0.019 0.000 0.800 354 E CB -0.247 29.424 29.700 -0.048 0.000 0.746 354 E HN 0.370 nan 8.360 nan 0.000 0.452 355 R N 0.587 120.952 120.500 -0.224 0.000 2.081 355 R HA -0.082 3.478 4.340 -1.300 0.000 0.235 355 R C 2.214 178.472 176.300 -0.069 0.000 1.131 355 R CA 1.374 57.339 56.100 -0.225 0.000 0.960 355 R CB -0.165 29.881 30.300 -0.424 0.000 0.856 355 R HN 0.132 nan 8.270 nan 0.000 0.436 356 A N -0.009 122.806 122.820 -0.009 0.000 1.933 356 A HA -0.129 3.411 4.320 -1.300 0.000 0.218 356 A C 2.136 179.732 177.584 0.020 0.000 1.175 356 A CA 1.995 54.048 52.037 0.027 0.000 0.628 356 A CB -0.851 18.217 19.000 0.113 0.000 0.814 356 A HN 0.456 nan 8.150 nan 0.000 0.444 357 T N -0.438 114.162 114.554 0.077 0.000 2.788 357 T HA -0.105 3.465 4.350 -1.300 0.000 0.268 357 T C 1.827 176.550 174.700 0.040 0.000 1.044 357 T CA 1.596 63.730 62.100 0.056 0.000 1.139 357 T CB -0.300 68.644 68.868 0.126 0.000 0.867 357 T HN 0.184 nan 8.240 nan 0.000 0.454 358 V N 3.198 123.134 119.914 0.035 0.000 2.346 358 V HA -0.093 3.247 4.120 -1.300 0.000 0.244 358 V C 2.347 178.483 176.094 0.070 0.000 1.037 358 V CA 1.690 64.022 62.300 0.054 0.000 1.029 358 V CB -0.545 31.298 31.823 0.034 0.000 0.663 358 V HN 0.622 nan 8.190 nan 0.000 0.454 359 N N 0.614 119.339 118.700 0.041 0.000 2.422 359 N HA 0.113 4.073 4.740 -1.300 0.000 0.181 359 N C 1.456 176.947 175.510 -0.032 0.000 1.080 359 N CA 1.126 54.215 53.050 0.066 0.000 0.893 359 N CB 0.363 38.893 38.487 0.072 0.000 0.973 359 N HN 0.480 nan 8.380 nan 0.000 0.456 360 G N -0.168 108.540 108.800 -0.153 0.000 2.179 360 G HA2 -0.260 2.920 3.960 -1.300 0.000 0.260 360 G HA3 -0.260 2.920 3.960 -1.300 0.000 0.260 360 G C -0.196 174.390 174.900 -0.524 0.000 0.977 360 G CA 0.592 45.381 45.100 -0.519 0.000 0.641 360 G HN 0.357 nan 8.290 nan 0.000 0.533 361 L N 0.488 121.574 121.223 -0.228 0.000 2.416 361 L HA 0.497 4.057 4.340 -1.300 0.000 0.262 361 L C -1.755 175.056 176.870 -0.099 0.000 1.093 361 L CA -2.351 52.403 54.840 -0.144 0.000 0.801 361 L CB 0.615 42.629 42.059 -0.075 0.000 1.191 361 L HN -0.150 nan 8.230 nan 0.000 0.459 362 P HA -0.004 nan 4.420 nan 0.000 0.269 362 P C 0.835 178.114 177.300 -0.034 0.000 1.209 362 P CA -0.258 62.816 63.100 -0.043 0.000 0.776 362 P CB 0.670 32.328 31.700 -0.069 0.000 0.876 363 V N 1.658 121.594 119.914 0.036 0.000 2.392 363 V HA -0.240 3.100 4.120 -1.300 0.000 0.249 363 V C 1.312 177.379 176.094 -0.045 0.000 1.059 363 V CA 2.454 64.784 62.300 0.050 0.000 1.051 363 V CB -1.212 30.689 31.823 0.129 0.000 0.658 363 V HN 0.659 nan 8.190 nan 0.000 0.455 364 D N -0.349 119.995 120.400 -0.094 0.000 2.319 364 D HA -0.004 3.856 4.640 -1.300 0.000 0.230 364 D C 0.999 177.049 176.300 -0.416 0.000 1.094 364 D CA -0.091 53.785 54.000 -0.207 0.000 0.856 364 D CB -0.339 40.396 40.800 -0.107 0.000 0.915 364 D HN 0.403 nan 8.370 nan 0.000 0.517 365 R N 1.083 121.378 120.500 -0.342 0.000 2.207 365 R HA 0.169 3.729 4.340 -1.300 0.000 0.334 365 R C -0.511 175.598 176.300 -0.318 0.000 1.013 365 R CA -0.491 55.411 56.100 -0.329 0.000 0.858 365 R CB 0.367 30.545 30.300 -0.203 0.000 1.094 365 R HN 0.050 nan 8.270 nan 0.000 0.457 366 H N 2.552 121.636 119.070 0.024 0.000 2.496 366 H HA 0.364 4.139 4.556 -1.300 0.000 0.342 366 H C 1.124 176.481 175.328 0.049 0.000 1.170 366 H CA 0.314 56.383 56.048 0.036 0.000 1.274 366 H CB 1.697 31.475 29.762 0.027 0.000 1.538 366 H HN 0.916 nan 8.280 nan 0.000 0.542 367 G N 0.604 109.516 108.800 0.187 0.000 2.561 367 G HA2 -0.276 2.904 3.960 -1.300 0.000 0.289 367 G HA3 -0.276 2.904 3.960 -1.300 0.000 0.289 367 G C 0.828 175.804 174.900 0.127 0.000 1.169 367 G CA 0.739 45.926 45.100 0.144 0.000 0.980 367 G HN 1.589 nan 8.290 nan 0.000 0.550 368 G N -1.533 107.341 108.800 0.123 0.000 2.273 368 G HA2 -0.008 3.172 3.960 -1.300 0.000 0.280 368 G HA3 -0.008 3.172 3.960 -1.300 0.000 0.280 368 G C 1.295 176.290 174.900 0.158 0.000 1.047 368 G CA 1.428 46.596 45.100 0.113 0.000 0.869 368 G HN 1.805 nan 8.290 nan 0.000 0.502 369 S N -1.282 114.528 115.700 0.184 0.000 2.370 369 S HA -0.141 3.549 4.470 -1.300 0.000 0.226 369 S C 2.580 177.363 174.600 0.305 0.000 1.033 369 S CA 1.509 59.864 58.200 0.258 0.000 1.011 369 S CB -0.047 63.291 63.200 0.229 0.000 0.852 369 S HN 0.534 nan 8.310 nan 0.000 0.457 370 V N 1.689 121.730 119.914 0.212 0.000 2.307 370 V HA -0.151 3.189 4.120 -1.300 0.000 0.245 370 V C 2.611 178.831 176.094 0.209 0.000 1.045 370 V CA 1.665 64.076 62.300 0.185 0.000 1.024 370 V CB -1.139 30.750 31.823 0.111 0.000 0.651 370 V HN 0.538 nan 8.190 nan 0.000 0.449 371 A N -0.087 122.829 122.820 0.159 0.000 1.933 371 A HA -0.070 3.470 4.320 -1.300 0.000 0.218 371 A C 2.394 180.081 177.584 0.172 0.000 1.175 371 A CA 1.948 54.058 52.037 0.122 0.000 0.628 371 A CB -0.683 18.358 19.000 0.068 0.000 0.814 371 A HN 0.555 nan 8.150 nan 0.000 0.444 372 A N -1.220 121.732 122.820 0.221 0.000 1.898 372 A HA -0.031 3.509 4.320 -1.300 0.000 0.216 372 A C 2.053 179.820 177.584 0.305 0.000 1.181 372 A CA 1.446 53.638 52.037 0.258 0.000 0.620 372 A CB -0.711 18.470 19.000 0.301 0.000 0.819 372 A HN 0.622 nan 8.150 nan 0.000 0.442 373 F N 0.992 121.046 119.950 0.174 0.000 2.095 373 F HA -0.088 3.655 4.527 -1.307 0.000 0.298 373 F C 2.391 178.224 175.800 0.056 0.000 1.104 373 F CA 1.711 59.659 58.000 -0.085 0.000 1.232 373 F CB -0.523 38.428 39.000 -0.081 0.000 0.987 373 F HN 0.246 nan 8.300 nan 0.000 0.475 374 G N -0.889 108.176 108.800 0.441 0.000 2.446 374 G HA2 -0.334 2.846 3.960 -1.300 0.000 0.217 374 G HA3 -0.334 2.846 3.960 -1.300 0.000 0.217 374 G C 1.746 176.663 174.900 0.029 0.000 1.168 374 G CA 1.111 46.380 45.100 0.281 0.000 0.771 374 G HN 0.494 nan 8.290 nan 0.000 0.551 375 H N 0.697 119.734 119.070 -0.054 0.000 2.319 375 H HA 0.024 3.800 4.556 -1.301 0.000 0.299 375 H C 2.631 177.952 175.328 -0.011 0.000 1.092 375 H CA 1.525 57.535 56.048 -0.063 0.000 1.302 375 H CB -0.095 29.655 29.762 -0.020 0.000 1.373 375 H HN 0.297 nan 8.280 nan 0.000 0.497 376 L N -0.903 120.414 121.223 0.158 0.000 2.109 376 L HA -0.178 3.382 4.340 -1.300 0.000 0.207 376 L C 2.526 179.388 176.870 -0.013 0.000 1.086 376 L CA 0.973 55.856 54.840 0.071 0.000 0.760 376 L CB -0.683 41.391 42.059 0.025 0.000 0.910 376 L HN 0.197 nan 8.230 nan 0.000 0.437 377 Y N 0.006 120.205 120.300 -0.168 0.000 2.220 377 Y HA -0.217 3.549 4.550 -1.306 0.000 0.291 377 Y C 2.416 178.342 175.900 0.042 0.000 1.129 377 Y CA 1.260 59.275 58.100 -0.141 0.000 1.161 377 Y CB -0.174 38.171 38.460 -0.191 0.000 0.997 377 Y HN -0.070 nan 8.280 nan 0.000 0.522 378 F N 0.930 120.853 119.950 -0.046 0.000 2.065 378 F HA -0.226 3.521 4.527 -1.299 0.000 0.298 378 F C -0.240 175.297 175.800 -0.438 0.000 1.112 378 F CA 1.618 59.477 58.000 -0.235 0.000 1.212 378 F CB -2.287 36.636 39.000 -0.127 0.000 0.975 378 F HN 0.120 nan 8.300 nan 0.000 0.476 379 P HA -0.183 nan 4.420 nan 0.000 0.215 379 P C 1.502 178.695 177.300 -0.177 0.000 1.153 379 P CA 1.881 64.802 63.100 -0.297 0.000 0.853 379 P CB -0.157 31.009 31.700 -0.890 0.000 0.788 380 R N -0.895 119.506 120.500 -0.166 0.000 2.075 380 R HA -0.003 3.557 4.340 -1.300 0.000 0.232 380 R C 2.727 178.888 176.300 -0.230 0.000 1.126 380 R CA 1.368 57.398 56.100 -0.116 0.000 0.963 380 R CB -0.859 29.331 30.300 -0.183 0.000 0.858 380 R HN 0.195 nan 8.270 nan 0.000 0.435 381 M N -0.077 119.273 119.600 -0.417 0.000 2.117 381 M HA -0.202 3.498 4.480 -1.300 0.000 0.262 381 M C 1.523 177.761 176.300 -0.103 0.000 1.065 381 M CA 1.909 57.022 55.300 -0.312 0.000 1.114 381 M CB -0.131 32.282 32.600 -0.312 0.000 1.361 381 M HN 0.286 nan 8.290 nan 0.000 0.408 382 H N -0.338 118.679 119.070 -0.088 0.000 2.353 382 H HA -0.066 3.711 4.556 -1.298 0.000 0.300 382 H C 2.112 177.403 175.328 -0.063 0.000 1.090 382 H CA 1.154 57.149 56.048 -0.088 0.000 1.327 382 H CB -0.006 29.705 29.762 -0.085 0.000 1.383 382 H HN 0.321 nan 8.280 nan 0.000 0.508 383 R N 0.714 121.263 120.500 0.082 0.000 2.127 383 R HA -0.034 3.526 4.340 -1.300 0.000 0.238 383 R C 2.125 178.431 176.300 0.010 0.000 1.134 383 R CA 0.975 57.106 56.100 0.051 0.000 0.975 383 R CB -0.593 29.752 30.300 0.074 0.000 0.865 383 R HN 0.322 nan 8.270 nan 0.000 0.447 384 A N -0.096 122.728 122.820 0.007 0.000 2.238 384 A HA 0.282 3.822 4.320 -1.300 0.000 0.208 384 A C 1.291 178.874 177.584 -0.001 0.000 1.177 384 A CA 0.867 52.915 52.037 0.017 0.000 0.804 384 A CB -0.104 18.918 19.000 0.037 0.000 0.823 384 A HN 0.431 nan 8.150 nan 0.000 0.482 385 G N -2.690 106.069 108.800 -0.069 0.000 2.141 385 G HA2 -0.240 2.940 3.960 -1.300 0.000 0.231 385 G HA3 -0.240 2.940 3.960 -1.300 0.000 0.231 385 G C -0.209 174.409 174.900 -0.470 0.000 0.984 385 G CA 0.299 45.238 45.100 -0.269 0.000 0.660 385 G HN 0.463 nan 8.290 nan 0.000 0.525 386 Y N -1.046 119.228 120.300 -0.043 0.000 2.545 386 Y HA 0.635 4.415 4.550 -1.282 0.000 0.348 386 Y C 0.513 176.412 175.900 -0.002 0.000 1.002 386 Y CA -0.685 57.399 58.100 -0.026 0.000 1.039 386 Y CB 2.254 40.704 38.460 -0.016 0.000 1.271 386 Y HN 0.537 nan 8.280 nan 0.000 0.467 387 V N -0.340 119.617 119.914 0.071 0.000 2.769 387 V HA 0.940 4.280 4.120 -1.300 0.000 0.312 387 V C 0.133 176.124 176.094 -0.172 0.000 1.058 387 V CA -1.368 60.834 62.300 -0.163 0.000 0.952 387 V CB 1.153 32.640 31.823 -0.561 0.000 1.019 387 V HN 0.937 nan 8.190 nan 0.000 0.445 388 A N 4.799 127.422 122.820 -0.330 0.000 2.511 388 A HA 0.600 4.140 4.320 -1.300 0.000 0.242 388 A C -1.860 175.417 177.584 -0.511 0.000 1.069 388 A CA -0.914 50.843 52.037 -0.467 0.000 0.763 388 A CB -0.543 18.116 19.000 -0.569 0.000 1.001 388 A HN 0.857 nan 8.150 nan 0.000 0.498 389 P HA 0.150 nan 4.420 nan 0.000 0.274 389 P C -0.572 176.640 177.300 -0.146 0.000 1.256 389 P CA -0.423 62.428 63.100 -0.416 0.000 0.795 389 P CB 0.648 31.988 31.700 -0.599 0.000 1.038 390 N N -0.931 117.818 118.700 0.082 0.000 2.478 390 N HA 0.350 4.310 4.740 -1.300 0.000 0.275 390 N C -0.189 175.303 175.510 -0.029 0.000 1.221 390 N CA -0.845 52.231 53.050 0.043 0.000 0.979 390 N CB 0.366 38.897 38.487 0.073 0.000 1.202 390 N HN 0.285 nan 8.380 nan 0.000 0.564 391 L N 0.284 121.487 121.223 -0.034 0.000 2.452 391 L HA 0.204 3.764 4.340 -1.300 0.000 0.267 391 L C 1.454 178.313 176.870 -0.018 0.000 1.188 391 L CA 0.182 54.995 54.840 -0.045 0.000 0.821 391 L CB 0.234 42.261 42.059 -0.053 0.000 1.102 391 L HN 0.924 nan 8.230 nan 0.000 0.470 392 G N 0.870 109.659 108.800 -0.019 0.000 2.179 392 G HA2 -0.253 2.927 3.960 -1.300 0.000 0.260 392 G HA3 -0.253 2.927 3.960 -1.300 0.000 0.260 392 G C 0.684 175.612 174.900 0.047 0.000 0.977 392 G CA 0.379 45.476 45.100 -0.003 0.000 0.641 392 G HN 0.778 nan 8.290 nan 0.000 0.533 393 E N -0.798 119.452 120.200 0.084 0.000 2.371 393 E HA 0.228 3.798 4.350 -1.300 0.000 0.194 393 E C 0.511 177.204 176.600 0.155 0.000 1.012 393 E CA 0.771 57.255 56.400 0.139 0.000 0.860 393 E CB 0.489 30.300 29.700 0.186 0.000 0.811 393 E HN 0.399 nan 8.360 nan 0.000 0.502 394 V N 2.563 122.580 119.914 0.172 0.000 2.487 394 V HA 0.244 3.584 4.120 -1.300 0.000 0.298 394 V C -2.422 173.803 176.094 0.220 0.000 1.028 394 V CA -2.238 60.181 62.300 0.198 0.000 0.860 394 V CB 1.503 33.447 31.823 0.202 0.000 0.991 394 V HN -0.056 nan 8.190 nan 0.000 0.427 395 P HA 0.203 nan 4.420 nan 0.000 0.268 395 P C -2.577 174.680 177.300 -0.072 0.000 1.204 395 P CA -0.948 62.141 63.100 -0.018 0.000 0.768 395 P CB -0.133 31.528 31.700 -0.065 0.000 0.842 396 P HA 0.103 nan 4.420 nan 0.000 0.271 396 P C -0.706 176.411 177.300 -0.306 0.000 1.216 396 P CA 0.707 63.765 63.100 -0.069 0.000 0.771 396 P CB 0.532 32.143 31.700 -0.149 0.000 0.864 397 H N 0.064 119.301 119.070 0.277 0.000 3.029 397 H HA 0.445 4.218 4.556 -1.305 0.000 0.358 397 H C -0.280 175.156 175.328 0.179 0.000 1.129 397 H CA -0.667 55.480 56.048 0.165 0.000 1.230 397 H CB 2.080 31.912 29.762 0.116 0.000 1.827 397 H HN 0.460 nan 8.280 nan 0.000 0.530 398 A N 1.946 124.916 122.820 0.249 0.000 2.366 398 A HA 0.514 4.054 4.320 -1.300 0.000 0.249 398 A C -0.018 177.661 177.584 0.157 0.000 1.084 398 A CA -0.099 52.048 52.037 0.182 0.000 0.794 398 A CB 0.392 19.472 19.000 0.134 0.000 1.034 398 A HN 0.530 nan 8.150 nan 0.000 0.491 399 S N 1.680 117.465 115.700 0.141 0.000 2.526 399 S HA 0.656 4.346 4.470 -1.300 0.000 0.293 399 S C -2.479 172.187 174.600 0.110 0.000 1.092 399 S CA -0.807 57.456 58.200 0.105 0.000 0.980 399 S CB 1.389 64.650 63.200 0.102 0.000 1.048 399 S HN 0.755 nan 8.310 nan 0.000 0.483 400 P HA 0.267 nan 4.420 nan 0.000 0.270 400 P C 0.350 177.747 177.300 0.161 0.000 1.223 400 P CA -0.232 62.948 63.100 0.133 0.000 0.785 400 P CB 0.230 32.035 31.700 0.175 0.000 0.923 401 G N 0.064 108.995 108.800 0.218 0.000 2.695 401 G HA2 0.536 3.716 3.960 -1.300 0.000 0.213 401 G HA3 0.536 3.716 3.960 -1.300 0.000 0.213 401 G C 0.007 175.118 174.900 0.352 0.000 1.406 401 G CA -0.441 44.811 45.100 0.254 0.000 1.049 401 G HN 0.662 nan 8.290 nan 0.000 0.573 402 G N -1.819 107.171 108.800 0.317 0.000 2.539 402 G HA2 0.403 3.583 3.960 -1.300 0.000 0.258 402 G HA3 0.403 3.583 3.960 -1.300 0.000 0.258 402 G C -1.098 173.998 174.900 0.326 0.000 1.202 402 G CA -0.291 45.018 45.100 0.349 0.000 0.851 402 G HN 0.506 nan 8.290 nan 0.000 0.556 403 Y N 1.793 122.203 120.300 0.183 0.000 2.365 403 Y HA 0.479 4.250 4.550 -1.299 0.000 0.340 403 Y C -0.417 175.476 175.900 -0.012 0.000 1.016 403 Y CA -1.043 57.032 58.100 -0.043 0.000 1.196 403 Y CB 1.141 39.536 38.460 -0.108 0.000 1.167 403 Y HN 0.247 nan 8.280 nan 0.000 0.509 404 V N 9.008 128.691 119.914 -0.385 0.000 2.357 404 V HA 0.237 3.577 4.120 -1.300 0.000 0.284 404 V C 0.236 175.943 176.094 -0.645 0.000 1.018 404 V CA -0.971 61.061 62.300 -0.446 0.000 0.841 404 V CB 1.145 32.894 31.823 -0.124 0.000 0.991 404 V HN 0.959 nan 8.190 nan 0.000 0.437 405 M N 3.715 122.856 119.600 -0.764 0.000 2.245 405 M HA 0.230 3.930 4.480 -1.300 0.000 0.344 405 M C -0.153 176.113 176.300 -0.057 0.000 1.170 405 M CA -0.124 54.889 55.300 -0.477 0.000 1.135 405 M CB 0.419 32.800 32.600 -0.366 0.000 1.574 405 M HN 0.578 nan 8.290 nan 0.000 0.452 406 D N 3.347 123.762 120.400 0.026 0.000 2.455 406 D HA 0.104 3.964 4.640 -1.300 0.000 0.241 406 D C -0.155 176.214 176.300 0.115 0.000 1.138 406 D CA 0.344 54.394 54.000 0.082 0.000 0.877 406 D CB 0.767 41.616 40.800 0.082 0.000 1.187 406 D HN 0.646 nan 8.370 nan 0.000 0.451 407 S N 2.082 117.842 115.700 0.100 0.000 2.617 407 S HA 0.401 4.091 4.470 -1.300 0.000 0.283 407 S C 0.072 174.699 174.600 0.044 0.000 1.189 407 S CA -1.048 57.191 58.200 0.064 0.000 1.036 407 S CB 2.119 65.240 63.200 -0.132 0.000 1.014 407 S HN 0.433 nan 8.310 nan 0.000 0.522 408 R N 2.130 122.665 120.500 0.058 0.000 2.204 408 R HA 0.380 3.940 4.340 -1.300 0.000 0.341 408 R C -2.589 173.770 176.300 0.098 0.000 1.035 408 R CA -2.087 54.068 56.100 0.091 0.000 0.887 408 R CB 0.455 30.838 30.300 0.138 0.000 1.114 408 R HN 0.504 nan 8.270 nan 0.000 0.473 409 P HA 0.237 nan 4.420 nan 0.000 0.269 409 P C -0.348 176.907 177.300 -0.075 0.000 1.215 409 P CA 0.142 63.272 63.100 0.051 0.000 0.780 409 P CB 1.242 33.045 31.700 0.173 0.000 0.898 410 G N 0.490 109.015 108.800 -0.458 0.000 2.352 410 G HA2 0.320 3.500 3.960 -1.300 0.000 0.302 410 G HA3 0.320 3.500 3.960 -1.300 0.000 0.302 410 G C -2.440 171.805 174.900 -1.090 0.000 1.370 410 G CA -0.739 43.819 45.100 -0.903 0.000 0.918 410 G HN 0.606 nan 8.290 nan 0.000 0.610 411 L N 0.668 121.326 121.223 -0.942 0.000 2.298 411 L HA 0.871 4.431 4.340 -1.300 0.000 0.284 411 L C -1.213 175.376 176.870 -0.469 0.000 1.013 411 L CA -1.209 53.306 54.840 -0.542 0.000 0.824 411 L CB 0.505 42.347 42.059 -0.361 0.000 1.221 411 L HN 0.579 nan 8.230 nan 0.000 0.418 412 Y N 2.750 122.940 120.300 -0.183 0.000 2.621 412 Y HA 0.516 4.286 4.550 -1.299 0.000 0.334 412 Y C 0.449 176.353 175.900 0.007 0.000 1.074 412 Y CA -0.752 57.267 58.100 -0.135 0.000 1.149 412 Y CB 1.346 39.663 38.460 -0.238 0.000 1.302 412 Y HN 0.552 nan 8.280 nan 0.000 0.501 413 D N -0.516 120.065 120.400 0.302 0.000 2.626 413 D HA 0.084 3.944 4.640 -1.300 0.000 0.260 413 D C -0.284 176.171 176.300 0.259 0.000 1.281 413 D CA 0.259 54.403 54.000 0.240 0.000 1.098 413 D CB -0.454 40.497 40.800 0.252 0.000 0.923 413 D HN 0.316 nan 8.370 nan 0.000 0.233 414 S N 0.193 116.091 115.700 0.330 0.000 2.498 414 S HA 0.304 3.994 4.470 -1.300 0.000 0.281 414 S C -0.171 174.581 174.600 0.253 0.000 1.265 414 S CA -0.251 58.153 58.200 0.339 0.000 1.071 414 S CB 0.425 63.849 63.200 0.374 0.000 0.894 414 S HN 0.057 nan 8.310 nan 0.000 0.491 415 V N 5.962 125.963 119.914 0.144 0.000 2.577 415 V HA 0.431 3.771 4.120 -1.300 0.000 0.303 415 V C -0.324 175.741 176.094 -0.048 0.000 1.042 415 V CA -0.711 61.554 62.300 -0.058 0.000 0.872 415 V CB 1.677 33.231 31.823 -0.449 0.000 0.998 415 V HN 0.704 nan 8.190 nan 0.000 0.423 416 L N 4.592 125.744 121.223 -0.119 0.000 2.334 416 L HA 0.721 4.281 4.340 -1.300 0.000 0.275 416 L C -0.662 176.018 176.870 -0.317 0.000 1.036 416 L CA -0.964 53.797 54.840 -0.132 0.000 0.807 416 L CB 1.941 43.945 42.059 -0.092 0.000 1.231 416 L HN 0.313 nan 8.230 nan 0.000 0.438 417 V N 3.949 123.629 119.914 -0.391 0.000 2.378 417 V HA 0.424 3.764 4.120 -1.300 0.000 0.288 417 V C -0.082 175.797 176.094 -0.359 0.000 1.016 417 V CA -0.388 61.556 62.300 -0.592 0.000 0.840 417 V CB 1.677 33.051 31.823 -0.749 0.000 0.994 417 V HN 0.483 nan 8.190 nan 0.000 0.431 418 L N 4.414 125.468 121.223 -0.281 0.000 2.307 418 L HA 0.726 4.286 4.340 -1.300 0.000 0.284 418 L C -0.516 176.230 176.870 -0.207 0.000 1.023 418 L CA -0.308 54.417 54.840 -0.193 0.000 0.810 418 L CB 1.798 43.766 42.059 -0.152 0.000 1.231 418 L HN 0.549 nan 8.230 nan 0.000 0.423 419 D N 1.516 121.797 120.400 -0.198 0.000 2.896 419 D HA 0.241 4.101 4.640 -1.300 0.000 0.241 419 D C -1.186 175.038 176.300 -0.127 0.000 1.188 419 D CA -0.459 53.462 54.000 -0.131 0.000 0.879 419 D CB 1.793 42.529 40.800 -0.108 0.000 1.553 419 D HN 0.225 nan 8.370 nan 0.000 0.515 420 Y N 1.700 121.997 120.300 -0.005 0.000 2.497 420 Y HA 0.050 3.824 4.550 -1.294 0.000 0.334 420 Y C 1.235 177.123 175.900 -0.018 0.000 1.199 420 Y CA 0.302 58.412 58.100 0.016 0.000 1.425 420 Y CB 0.706 39.185 38.460 0.032 0.000 1.291 420 Y HN 0.158 nan 8.280 nan 0.000 0.562 421 K N 2.007 122.511 120.400 0.173 0.000 2.312 421 K HA 0.129 3.669 4.320 -1.300 0.000 0.287 421 K C -0.025 176.564 176.600 -0.019 0.000 1.062 421 K CA 0.110 56.409 56.287 0.020 0.000 0.934 421 K CB 0.207 32.729 32.500 0.035 0.000 1.027 421 K HN 0.801 nan 8.250 nan 0.000 0.478 422 S N 3.329 118.933 115.700 -0.160 0.000 3.405 422 S HA -0.167 3.523 4.470 -1.300 0.000 0.373 422 S C 0.773 175.402 174.600 0.048 0.000 0.939 422 S CA 0.399 58.499 58.200 -0.167 0.000 1.295 422 S CB -1.145 61.753 63.200 -0.505 0.000 0.919 422 S HN 0.753 nan 8.310 nan 0.000 0.535 423 L N 1.978 123.225 121.223 0.039 0.000 1.989 423 L HA -0.122 3.438 4.340 -1.300 0.000 0.211 423 L C 1.989 178.966 176.870 0.177 0.000 1.071 423 L CA 2.057 56.942 54.840 0.075 0.000 0.749 423 L CB -0.469 41.595 42.059 0.009 0.000 0.890 423 L HN 0.617 nan 8.230 nan 0.000 0.431 424 Y N -0.205 120.056 120.300 -0.066 0.000 2.224 424 Y HA -0.072 3.707 4.550 -1.286 0.000 0.289 424 Y C -0.146 175.768 175.900 0.023 0.000 1.146 424 Y CA 0.569 58.610 58.100 -0.099 0.000 1.182 424 Y CB -2.454 35.877 38.460 -0.215 0.000 0.983 424 Y HN 0.326 nan 8.280 nan 0.000 0.524 425 P HA -0.120 nan 4.420 nan 0.000 0.217 425 P C 1.993 179.467 177.300 0.291 0.000 1.151 425 P CA 2.465 65.739 63.100 0.289 0.000 0.828 425 P CB -0.116 31.776 31.700 0.319 0.000 0.788 426 S N -0.974 114.941 115.700 0.357 0.000 2.399 426 S HA -0.134 3.556 4.470 -1.300 0.000 0.231 426 S C 1.975 176.608 174.600 0.054 0.000 1.022 426 S CA 1.023 59.352 58.200 0.215 0.000 0.983 426 S CB -1.588 61.781 63.200 0.283 0.000 0.803 426 S HN 0.033 nan 8.310 nan 0.000 0.480 427 I N 1.224 121.841 120.570 0.079 0.000 2.252 427 I HA -0.108 3.282 4.170 -1.300 0.000 0.245 427 I C 2.406 178.569 176.117 0.075 0.000 1.102 427 I CA 1.254 62.615 61.300 0.103 0.000 1.385 427 I CB -0.342 37.636 38.000 -0.036 0.000 1.064 427 I HN 0.298 nan 8.210 nan 0.000 0.414 428 I N 0.391 120.975 120.570 0.024 0.000 2.208 428 I HA -0.315 3.075 4.170 -1.300 0.000 0.245 428 I C 2.720 178.787 176.117 -0.083 0.000 1.097 428 I CA 1.478 62.762 61.300 -0.027 0.000 1.363 428 I CB -0.399 37.634 38.000 0.055 0.000 1.051 428 I HN 0.172 nan 8.210 nan 0.000 0.413 429 R N -0.056 120.398 120.500 -0.077 0.000 2.066 429 R HA -0.115 3.445 4.340 -1.300 0.000 0.232 429 R C 2.345 178.503 176.300 -0.236 0.000 1.131 429 R CA 1.990 57.991 56.100 -0.165 0.000 0.955 429 R CB -0.553 29.617 30.300 -0.216 0.000 0.851 429 R HN 0.344 nan 8.270 nan 0.000 0.432 430 T N 0.269 114.664 114.554 -0.264 0.000 2.770 430 T HA -0.053 3.517 4.350 -1.300 0.000 0.263 430 T C 1.073 175.394 174.700 -0.630 0.000 1.039 430 T CA 1.188 63.000 62.100 -0.480 0.000 1.142 430 T CB -0.100 68.371 68.868 -0.662 0.000 0.868 430 T HN 0.108 nan 8.240 nan 0.000 0.435 431 F N 0.886 120.711 119.950 -0.208 0.000 2.660 431 F HA 0.458 4.198 4.527 -1.313 0.000 0.302 431 F C 0.522 176.137 175.800 -0.309 0.000 1.103 431 F CA -0.420 57.448 58.000 -0.221 0.000 1.340 431 F CB -0.625 38.244 39.000 -0.219 0.000 1.048 431 F HN -0.074 nan 8.300 nan 0.000 0.551 432 L N 0.618 121.699 121.223 -0.235 0.000 3.678 432 L HA -0.246 3.314 4.340 -1.300 0.000 0.425 432 L C -0.511 176.089 176.870 -0.449 0.000 1.240 432 L CA -0.223 54.408 54.840 -0.349 0.000 0.876 432 L CB -2.023 39.851 42.059 -0.309 0.000 1.766 432 L HN 0.015 nan 8.230 nan 0.000 0.917 433 I N 0.800 121.050 120.570 -0.534 0.000 2.598 433 I HA 0.274 3.664 4.170 -1.300 0.000 0.284 433 I C 0.449 176.423 176.117 -0.239 0.000 1.140 433 I CA 0.723 61.557 61.300 -0.777 0.000 1.420 433 I CB 0.752 38.466 38.000 -0.477 0.000 1.387 433 I HN 0.224 nan 8.210 nan 0.000 0.553 434 D N 7.063 127.470 120.400 0.013 0.000 2.769 434 D HA 0.356 4.216 4.640 -1.300 0.000 0.219 434 D C -2.368 174.091 176.300 0.265 0.000 1.245 434 D CA -1.049 53.061 54.000 0.184 0.000 0.801 434 D CB 2.587 43.510 40.800 0.205 0.000 1.598 434 D HN 0.046 nan 8.370 nan 0.000 0.485 435 P HA -0.083 nan 4.420 nan 0.000 0.214 435 P C 1.427 178.780 177.300 0.088 0.000 1.162 435 P CA 0.516 63.743 63.100 0.212 0.000 0.879 435 P CB 0.290 32.047 31.700 0.096 0.000 0.786 436 V N 0.032 119.985 119.914 0.066 0.000 2.343 436 V HA -0.172 3.168 4.120 -1.300 0.000 0.247 436 V C 2.558 178.525 176.094 -0.211 0.000 1.051 436 V CA 2.540 64.644 62.300 -0.327 0.000 1.036 436 V CB -1.851 29.872 31.823 -0.168 0.000 0.654 436 V HN 0.186 nan 8.190 nan 0.000 0.451 437 G N -0.187 108.649 108.800 0.059 0.000 2.442 437 G HA2 -0.279 2.901 3.960 -1.300 0.000 0.219 437 G HA3 -0.279 2.901 3.960 -1.300 0.000 0.219 437 G C 1.573 176.533 174.900 0.099 0.000 1.141 437 G CA 1.208 46.405 45.100 0.162 0.000 0.763 437 G HN 0.454 nan 8.290 nan 0.000 0.554 438 L N 0.832 122.102 121.223 0.079 0.000 2.046 438 L HA 0.003 3.563 4.340 -1.300 0.000 0.208 438 L C 2.894 179.642 176.870 -0.203 0.000 1.077 438 L CA 1.440 56.180 54.840 -0.167 0.000 0.747 438 L CB -0.611 41.384 42.059 -0.106 0.000 0.896 438 L HN 0.082 nan 8.230 nan 0.000 0.432 439 V N -0.056 119.684 119.914 -0.290 0.000 2.295 439 V HA -0.241 3.099 4.120 -1.300 0.000 0.246 439 V C 2.650 178.599 176.094 -0.242 0.000 1.049 439 V CA 1.946 64.025 62.300 -0.368 0.000 1.024 439 V CB -0.676 30.672 31.823 -0.792 0.000 0.648 439 V HN 0.477 nan 8.190 nan 0.000 0.447 440 E N 0.344 120.418 120.200 -0.210 0.000 2.150 440 E HA -0.114 3.456 4.350 -1.300 0.000 0.193 440 E C 2.314 178.882 176.600 -0.054 0.000 0.985 440 E CA 1.289 57.638 56.400 -0.086 0.000 0.814 440 E CB -0.487 29.196 29.700 -0.029 0.000 0.752 440 E HN 0.635 nan 8.360 nan 0.000 0.466 441 G N 1.256 110.033 108.800 -0.038 0.000 2.421 441 G HA2 -0.220 2.960 3.960 -1.300 0.000 0.216 441 G HA3 -0.220 2.960 3.960 -1.300 0.000 0.216 441 G C 1.525 176.402 174.900 -0.038 0.000 1.171 441 G CA 0.584 45.693 45.100 0.014 0.000 0.775 441 G HN 0.108 nan 8.290 nan 0.000 0.543 442 M N 1.249 120.804 119.600 -0.076 0.000 2.374 442 M HA 0.117 3.817 4.480 -1.300 0.000 0.264 442 M C 2.832 179.062 176.300 -0.116 0.000 1.067 442 M CA 0.864 56.114 55.300 -0.084 0.000 1.103 442 M CB -1.071 31.486 32.600 -0.072 0.000 1.402 442 M HN 0.321 nan 8.290 nan 0.000 0.444 443 A N -0.396 122.359 122.820 -0.108 0.000 2.014 443 A HA -0.060 3.480 4.320 -1.300 0.000 0.218 443 A C 1.237 178.730 177.584 -0.152 0.000 1.163 443 A CA 0.915 52.888 52.037 -0.107 0.000 0.652 443 A CB -0.072 18.879 19.000 -0.082 0.000 0.808 443 A HN 0.590 nan 8.150 nan 0.000 0.449 444 Q N -0.216 119.479 119.800 -0.176 0.000 3.300 444 Q HA 0.187 3.747 4.340 -1.300 0.000 0.271 444 Q C -2.693 173.146 176.000 -0.269 0.000 0.926 444 Q CA -1.729 53.945 55.803 -0.214 0.000 0.788 444 Q CB 1.690 30.256 28.738 -0.287 0.000 1.385 444 Q HN 0.292 nan 8.270 nan 0.000 0.424 445 P HA 0.004 nan 4.420 nan 0.000 0.226 445 P C -1.317 175.087 177.300 -1.494 0.000 1.783 445 P CA 0.242 62.626 63.100 -1.194 0.000 0.980 445 P CB -0.434 30.535 31.700 -1.218 0.000 1.967 446 D N -0.348 119.545 120.400 -0.845 0.000 2.645 446 D HA 0.349 4.209 4.640 -1.300 0.000 0.228 446 D C -2.106 174.115 176.300 -0.133 0.000 1.148 446 D CA -2.423 51.266 54.000 -0.518 0.000 0.860 446 D CB 1.028 41.702 40.800 -0.209 0.000 1.548 446 D HN -0.220 nan 8.370 nan 0.000 0.460 447 P HA -0.235 nan 4.420 nan 0.000 0.218 447 P C 0.999 178.325 177.300 0.044 0.000 1.146 447 P CA 1.202 64.410 63.100 0.181 0.000 0.813 447 P CB 0.349 32.141 31.700 0.153 0.000 0.778 448 E N -0.548 119.596 120.200 -0.094 0.000 2.028 448 E HA -0.206 3.364 4.350 -1.300 0.000 0.191 448 E C 1.882 178.308 176.600 -0.291 0.000 0.988 448 E CA 1.004 57.257 56.400 -0.245 0.000 0.799 448 E CB -0.245 29.201 29.700 -0.425 0.000 0.755 448 E HN 0.349 nan 8.360 nan 0.000 0.447 449 H N -0.889 118.185 119.070 0.007 0.000 2.547 449 H HA 0.272 4.043 4.556 -1.308 0.000 0.272 449 H C 0.452 175.824 175.328 0.073 0.000 0.971 449 H CA 0.502 56.560 56.048 0.018 0.000 1.245 449 H CB 0.754 30.503 29.762 -0.023 0.000 1.440 449 H HN -0.013 nan 8.280 nan 0.000 0.540 450 S N -0.571 115.263 115.700 0.223 0.000 2.697 450 S HA 0.395 4.085 4.470 -1.300 0.000 0.289 450 S C -0.270 174.570 174.600 0.400 0.000 1.149 450 S CA -0.716 57.675 58.200 0.318 0.000 0.850 450 S CB 3.105 66.528 63.200 0.372 0.000 1.151 450 S HN 0.162 nan 8.310 nan 0.000 0.491 451 T N 0.703 115.492 114.554 0.392 0.000 2.876 451 T HA 0.413 3.983 4.350 -1.300 0.000 0.289 451 T C -1.126 173.646 174.700 0.121 0.000 1.014 451 T CA -0.544 61.711 62.100 0.259 0.000 0.986 451 T CB 1.215 70.186 68.868 0.173 0.000 1.021 451 T HN 0.567 nan 8.240 nan 0.000 0.458 452 E N 2.205 122.233 120.200 -0.287 0.000 2.316 452 E HA 0.496 4.066 4.350 -1.300 0.000 0.275 452 E C 0.451 176.817 176.600 -0.389 0.000 1.029 452 E CA -0.256 55.669 56.400 -0.793 0.000 0.871 452 E CB 0.719 29.756 29.700 -1.105 0.000 1.022 452 E HN 0.784 nan 8.360 nan 0.000 0.418 453 G N 2.977 111.573 108.800 -0.341 0.000 2.940 453 G HA2 0.415 3.595 3.960 -1.300 0.000 0.164 453 G HA3 0.415 3.595 3.960 -1.300 0.000 0.164 453 G C -0.999 173.669 174.900 -0.386 0.000 1.326 453 G CA -0.483 44.574 45.100 -0.072 0.000 1.020 453 G HN 0.444 nan 8.290 nan 0.000 0.586 454 F N -1.158 118.741 119.950 -0.085 0.000 2.594 454 F HA 0.527 4.268 4.527 -1.311 0.000 0.335 454 F C 0.707 176.456 175.800 -0.086 0.000 1.058 454 F CA -0.529 57.405 58.000 -0.109 0.000 0.981 454 F CB 1.586 40.520 39.000 -0.111 0.000 1.289 454 F HN 0.193 nan 8.300 nan 0.000 0.490 455 L N 1.985 123.279 121.223 0.119 0.000 3.717 455 L HA -0.318 3.242 4.340 -1.300 0.000 0.414 455 L C -0.420 176.449 176.870 -0.002 0.000 1.228 455 L CA 0.496 55.363 54.840 0.045 0.000 0.918 455 L CB -1.601 40.483 42.059 0.043 0.000 1.865 455 L HN 0.768 nan 8.230 nan 0.000 0.922 456 D N -2.513 117.861 120.400 -0.043 0.000 3.076 456 D HA -0.164 3.696 4.640 -1.300 0.000 0.218 456 D C 0.812 177.086 176.300 -0.044 0.000 1.156 456 D CA 1.437 55.418 54.000 -0.031 0.000 0.921 456 D CB -0.585 40.240 40.800 0.041 0.000 1.113 456 D HN 0.746 nan 8.370 nan 0.000 0.418 457 A N -0.523 122.203 122.820 -0.156 0.000 2.388 457 A HA 0.470 4.010 4.320 -1.300 0.000 0.257 457 A C -0.254 177.068 177.584 -0.436 0.000 1.095 457 A CA 0.027 51.907 52.037 -0.263 0.000 0.791 457 A CB 0.542 19.367 19.000 -0.292 0.000 1.029 457 A HN 0.194 nan 8.150 nan 0.000 0.489 458 W N 0.495 121.511 121.300 -0.473 0.000 2.819 458 W HA 0.659 4.497 4.660 -1.369 0.000 0.337 458 W C -1.250 174.925 176.519 -0.573 0.000 1.077 458 W CA -0.280 56.864 57.345 -0.336 0.000 1.226 458 W CB 1.620 30.989 29.460 -0.152 0.000 1.419 458 W HN 0.491 nan 8.180 nan 0.000 0.502 459 F N 1.628 121.710 119.950 0.219 0.000 2.493 459 F HA 0.364 4.919 4.527 0.048 0.000 0.329 459 F C 0.653 176.552 175.800 0.164 0.000 1.126 459 F CA -1.139 56.944 58.000 0.138 0.000 0.937 459 F CB 1.816 40.859 39.000 0.072 0.000 1.146 459 F HN 0.135 nan 8.300 nan 0.000 0.442 460 S N 2.786 118.661 115.700 0.292 0.000 2.546 460 S HA 0.086 3.776 4.470 -1.300 0.000 0.290 460 S C 1.437 176.217 174.600 0.300 0.000 1.290 460 S CA -0.220 58.126 58.200 0.243 0.000 1.069 460 S CB 0.510 63.812 63.200 0.171 0.000 0.846 460 S HN 0.759 nan 8.310 nan 0.000 0.495 461 R N 2.452 123.095 120.500 0.238 0.000 2.115 461 R HA 0.011 3.571 4.340 -1.300 0.000 0.226 461 R C 1.502 177.949 176.300 0.245 0.000 1.100 461 R CA 1.155 57.388 56.100 0.221 0.000 0.980 461 R CB 0.021 30.406 30.300 0.142 0.000 0.875 461 R HN 0.621 nan 8.270 nan 0.000 0.445 462 E N 0.034 120.314 120.200 0.133 0.000 2.340 462 E HA 0.048 3.618 4.350 -1.300 0.000 0.198 462 E C 0.075 176.549 176.600 -0.210 0.000 0.961 462 E CA 0.431 56.822 56.400 -0.014 0.000 0.905 462 E CB 0.480 30.182 29.700 0.003 0.000 0.884 462 E HN 0.031 nan 8.360 nan 0.000 0.491 463 K N 1.158 121.491 120.400 -0.111 0.000 2.389 463 K HA 0.240 3.780 4.320 -1.300 0.000 0.261 463 K C -1.353 175.194 176.600 -0.089 0.000 1.014 463 K CA -0.228 55.964 56.287 -0.157 0.000 0.920 463 K CB 0.337 32.820 32.500 -0.027 0.000 1.149 463 K HN 0.055 nan 8.250 nan 0.000 0.444 464 H N -0.386 118.690 119.070 0.010 0.000 3.037 464 H HA 0.348 4.122 4.556 -1.303 0.000 0.336 464 H C -0.372 174.940 175.328 -0.027 0.000 1.323 464 H CA -1.026 55.029 56.048 0.012 0.000 1.159 464 H CB 0.725 30.511 29.762 0.040 0.000 1.882 464 H HN 0.306 nan 8.280 nan 0.000 0.535 465 C N -0.055 119.323 119.300 0.130 0.000 2.878 465 C HA 0.148 3.828 4.460 -1.300 0.000 0.490 465 C C 2.255 177.272 174.990 0.044 0.000 1.339 465 C CA 0.177 59.178 59.018 -0.027 0.000 2.353 465 C CB -0.448 27.048 27.740 -0.407 0.000 3.174 465 C HN 0.789 nan 8.230 nan 0.000 0.569 466 L N 2.421 123.735 121.223 0.152 0.000 2.083 466 L HA 0.033 3.593 4.340 -1.300 0.000 0.209 466 L C -0.898 176.013 176.870 0.068 0.000 1.083 466 L CA 2.289 57.195 54.840 0.110 0.000 0.752 466 L CB -1.454 40.696 42.059 0.152 0.000 0.899 466 L HN 0.113 nan 8.230 nan 0.000 0.433 467 P HA -0.154 nan 4.420 nan 0.000 0.215 467 P C 1.299 178.602 177.300 0.006 0.000 1.157 467 P CA 1.389 64.475 63.100 -0.025 0.000 0.868 467 P CB 0.111 31.724 31.700 -0.145 0.000 0.788 468 E N -0.728 119.501 120.200 0.049 0.000 2.077 468 E HA -0.139 3.431 4.350 -1.300 0.000 0.193 468 E C 2.030 178.644 176.600 0.024 0.000 0.989 468 E CA 0.999 57.416 56.400 0.028 0.000 0.800 468 E CB -0.952 28.771 29.700 0.038 0.000 0.746 468 E HN 0.239 nan 8.360 nan 0.000 0.452 469 I N -0.029 120.566 120.570 0.041 0.000 2.179 469 I HA -0.255 3.135 4.170 -1.300 0.000 0.242 469 I C 2.123 178.318 176.117 0.130 0.000 1.088 469 I CA 0.778 62.121 61.300 0.071 0.000 1.357 469 I CB -0.270 37.742 38.000 0.020 0.000 1.051 469 I HN 0.010 nan 8.210 nan 0.000 0.409 470 V N 0.547 120.550 119.914 0.148 0.000 2.343 470 V HA -0.287 3.053 4.120 -1.300 0.000 0.247 470 V C 2.516 178.682 176.094 0.119 0.000 1.051 470 V CA 2.465 64.883 62.300 0.196 0.000 1.036 470 V CB -0.843 31.105 31.823 0.208 0.000 0.654 470 V HN 0.478 nan 8.190 nan 0.000 0.451 471 T N 0.232 114.774 114.554 -0.020 0.000 2.746 471 T HA -0.177 3.393 4.350 -1.300 0.000 0.267 471 T C 1.825 176.325 174.700 -0.333 0.000 1.039 471 T CA 1.660 63.622 62.100 -0.231 0.000 1.142 471 T CB -0.374 68.339 68.868 -0.258 0.000 0.866 471 T HN 0.429 nan 8.240 nan 0.000 0.444 472 N N 1.116 119.748 118.700 -0.114 0.000 2.084 472 N HA 0.031 3.991 4.740 -1.300 0.000 0.190 472 N C 1.837 177.383 175.510 0.061 0.000 1.030 472 N CA 0.955 53.997 53.050 -0.014 0.000 0.849 472 N CB -0.473 38.051 38.487 0.062 0.000 1.012 472 N HN 0.380 nan 8.380 nan 0.000 0.423 473 I N -0.184 120.446 120.570 0.100 0.000 2.286 473 I HA -0.236 3.154 4.170 -1.300 0.000 0.248 473 I C 2.331 178.538 176.117 0.150 0.000 1.115 473 I CA 0.648 62.019 61.300 0.119 0.000 1.392 473 I CB -0.140 37.926 38.000 0.110 0.000 1.065 473 I HN 0.295 nan 8.210 nan 0.000 0.418 474 W N 2.146 123.407 121.300 -0.065 0.000 2.335 474 W HA -0.237 3.642 4.660 -1.302 0.000 0.311 474 W C 2.489 179.037 176.519 0.049 0.000 1.213 474 W CA 2.002 59.322 57.345 -0.043 0.000 1.274 474 W CB -0.841 28.553 29.460 -0.110 0.000 1.148 474 W HN 0.322 nan 8.180 nan 0.000 0.498 475 H N -1.388 117.912 119.070 0.384 0.000 2.421 475 H HA -0.098 3.679 4.556 -1.298 0.000 0.298 475 H C 2.482 177.901 175.328 0.151 0.000 1.087 475 H CA 0.982 57.179 56.048 0.248 0.000 1.330 475 H CB -0.603 29.256 29.762 0.161 0.000 1.388 475 H HN 0.210 nan 8.280 nan 0.000 0.526 476 G N 0.744 109.685 108.800 0.234 0.000 2.418 476 G HA2 -0.287 2.893 3.960 -1.300 0.000 0.217 476 G HA3 -0.287 2.893 3.960 -1.300 0.000 0.217 476 G C 1.657 176.612 174.900 0.092 0.000 1.158 476 G CA 0.530 45.714 45.100 0.140 0.000 0.771 476 G HN 0.293 nan 8.290 nan 0.000 0.545 477 R N 0.202 120.737 120.500 0.057 0.000 2.096 477 R HA -0.076 3.484 4.340 -1.300 0.000 0.235 477 R C 1.975 178.272 176.300 -0.005 0.000 1.127 477 R CA 1.576 57.665 56.100 -0.019 0.000 0.968 477 R CB -0.205 30.013 30.300 -0.136 0.000 0.861 477 R HN 0.182 nan 8.270 nan 0.000 0.440 478 D N 0.167 120.600 120.400 0.055 0.000 2.117 478 D HA -0.182 3.678 4.640 -1.300 0.000 0.197 478 D C 1.711 178.051 176.300 0.067 0.000 0.987 478 D CA 1.307 55.355 54.000 0.079 0.000 0.829 478 D CB -0.095 40.817 40.800 0.187 0.000 0.961 478 D HN 0.295 nan 8.370 nan 0.000 0.460 479 E N 0.674 120.923 120.200 0.082 0.000 2.106 479 E HA -0.047 3.523 4.350 -1.300 0.000 0.192 479 E C 1.848 178.479 176.600 0.053 0.000 0.984 479 E CA 1.239 57.679 56.400 0.066 0.000 0.806 479 E CB -0.223 29.523 29.700 0.076 0.000 0.750 479 E HN 0.143 nan 8.360 nan 0.000 0.458 480 A N 0.841 123.690 122.820 0.049 0.000 1.902 480 A HA -0.196 3.344 4.320 -1.300 0.000 0.217 480 A C 2.068 179.670 177.584 0.030 0.000 1.181 480 A CA 1.760 53.825 52.037 0.047 0.000 0.623 480 A CB -0.420 18.609 19.000 0.048 0.000 0.818 480 A HN 0.204 nan 8.150 nan 0.000 0.443 481 K N -0.830 119.576 120.400 0.011 0.000 2.057 481 K HA -0.140 3.400 4.320 -1.300 0.000 0.207 481 K C 2.372 178.978 176.600 0.009 0.000 1.049 481 K CA 1.386 57.671 56.287 -0.004 0.000 0.931 481 K CB -0.195 32.293 32.500 -0.020 0.000 0.714 481 K HN 0.455 nan 8.250 nan 0.000 0.440 482 R N 1.458 121.971 120.500 0.022 0.000 2.105 482 R HA -0.169 3.391 4.340 -1.300 0.000 0.239 482 R C 1.556 177.872 176.300 0.026 0.000 1.135 482 R CA 1.619 57.734 56.100 0.025 0.000 0.967 482 R CB 0.058 30.378 30.300 0.033 0.000 0.861 482 R HN 0.321 nan 8.270 nan 0.000 0.442 483 Q N -0.978 118.842 119.800 0.033 0.000 2.403 483 Q HA 0.119 3.679 4.340 -1.300 0.000 0.203 483 Q C 0.671 176.693 176.000 0.036 0.000 0.932 483 Q CA 0.469 56.295 55.803 0.038 0.000 0.945 483 Q CB 0.864 29.632 28.738 0.049 0.000 1.045 483 Q HN 0.616 nan 8.270 nan 0.000 0.511 484 G N 2.613 111.429 108.800 0.026 0.000 2.160 484 G HA2 -0.259 2.921 3.960 -1.300 0.000 0.251 484 G HA3 -0.259 2.921 3.960 -1.300 0.000 0.251 484 G C -0.089 174.829 174.900 0.030 0.000 1.008 484 G CA 0.227 45.338 45.100 0.019 0.000 0.724 484 G HN 0.326 nan 8.290 nan 0.000 0.514 485 N N 0.473 119.199 118.700 0.044 0.000 2.719 485 N HA 0.285 4.245 4.740 -1.300 0.000 0.243 485 N C 1.531 177.071 175.510 0.051 0.000 1.104 485 N CA -0.152 52.941 53.050 0.072 0.000 0.981 485 N CB 0.289 38.840 38.487 0.106 0.000 1.290 485 N HN 0.488 nan 8.380 nan 0.000 0.513 486 K N 2.127 122.532 120.400 0.007 0.000 2.025 486 K HA -0.063 3.477 4.320 -1.300 0.000 0.207 486 K C -0.908 175.677 176.600 -0.025 0.000 1.049 486 K CA 1.301 57.564 56.287 -0.041 0.000 0.933 486 K CB -0.413 32.027 32.500 -0.099 0.000 0.714 486 K HN 0.378 nan 8.250 nan 0.000 0.438 487 P HA -0.184 nan 4.420 nan 0.000 0.215 487 P C 1.318 178.829 177.300 0.352 0.000 1.153 487 P CA 0.907 64.047 63.100 0.067 0.000 0.853 487 P CB 0.092 31.762 31.700 -0.050 0.000 0.788 488 L N -0.487 120.972 121.223 0.392 0.000 2.046 488 L HA -0.110 3.450 4.340 -1.300 0.000 0.208 488 L C 2.438 179.417 176.870 0.181 0.000 1.077 488 L CA 2.071 57.132 54.840 0.369 0.000 0.747 488 L CB -1.663 40.538 42.059 0.236 0.000 0.896 488 L HN -0.071 nan 8.230 nan 0.000 0.432 489 S N -1.189 114.564 115.700 0.088 0.000 2.368 489 S HA -0.291 3.399 4.470 -1.300 0.000 0.225 489 S C 2.064 176.639 174.600 -0.041 0.000 1.030 489 S CA 1.608 59.807 58.200 -0.001 0.000 0.999 489 S CB -0.362 62.814 63.200 -0.040 0.000 0.844 489 S HN 0.664 nan 8.310 nan 0.000 0.459 490 Q N 1.133 120.898 119.800 -0.059 0.000 2.084 490 Q HA 0.112 3.672 4.340 -1.300 0.000 0.202 490 Q C 2.066 178.007 176.000 -0.099 0.000 0.978 490 Q CA 2.000 57.671 55.803 -0.220 0.000 0.844 490 Q CB -0.901 27.565 28.738 -0.453 0.000 0.898 490 Q HN 0.602 nan 8.270 nan 0.000 0.426 491 A N 0.193 123.165 122.820 0.253 0.000 1.933 491 A HA -0.098 3.442 4.320 -1.300 0.000 0.218 491 A C 2.082 179.753 177.584 0.144 0.000 1.175 491 A CA 1.397 53.687 52.037 0.421 0.000 0.628 491 A CB -0.692 18.624 19.000 0.526 0.000 0.814 491 A HN 0.462 nan 8.150 nan 0.000 0.444 492 L N -0.527 120.729 121.223 0.054 0.000 2.156 492 L HA -0.156 3.404 4.340 -1.300 0.000 0.208 492 L C 2.596 179.422 176.870 -0.073 0.000 1.095 492 L CA 1.729 56.556 54.840 -0.021 0.000 0.770 492 L CB -0.470 41.578 42.059 -0.019 0.000 0.914 492 L HN 0.559 nan 8.230 nan 0.000 0.439 493 K N 0.859 121.203 120.400 -0.093 0.000 2.026 493 K HA -0.192 3.348 4.320 -1.300 0.000 0.208 493 K C 2.087 178.631 176.600 -0.093 0.000 1.048 493 K CA 1.382 57.590 56.287 -0.133 0.000 0.929 493 K CB 0.052 32.450 32.500 -0.170 0.000 0.713 493 K HN 0.098 nan 8.250 nan 0.000 0.439 494 I N 1.701 122.238 120.570 -0.055 0.000 2.252 494 I HA -0.214 3.176 4.170 -1.300 0.000 0.245 494 I C 2.406 178.511 176.117 -0.019 0.000 1.102 494 I CA 1.143 62.448 61.300 0.008 0.000 1.385 494 I CB -0.832 37.247 38.000 0.132 0.000 1.064 494 I HN 0.261 nan 8.210 nan 0.000 0.414 495 I N 0.173 120.696 120.570 -0.078 0.000 2.208 495 I HA -0.337 3.053 4.170 -1.300 0.000 0.245 495 I C 2.694 178.466 176.117 -0.575 0.000 1.097 495 I CA 1.460 62.595 61.300 -0.274 0.000 1.363 495 I CB -0.183 37.656 38.000 -0.269 0.000 1.051 495 I HN 0.170 nan 8.210 nan 0.000 0.413 496 M N -0.016 119.369 119.600 -0.358 0.000 2.117 496 M HA -0.199 3.501 4.480 -1.300 0.000 0.262 496 M C 1.956 178.260 176.300 0.007 0.000 1.065 496 M CA 1.659 56.824 55.300 -0.226 0.000 1.114 496 M CB -0.561 32.012 32.600 -0.045 0.000 1.361 496 M HN 0.252 nan 8.290 nan 0.000 0.408 497 N N 0.732 119.459 118.700 0.044 0.000 2.244 497 N HA -0.056 3.904 4.740 -1.300 0.000 0.183 497 N C 1.615 177.289 175.510 0.274 0.000 1.016 497 N CA 1.489 54.660 53.050 0.203 0.000 0.866 497 N CB -0.333 38.229 38.487 0.125 0.000 0.980 497 N HN 0.320 nan 8.380 nan 0.000 0.430 498 A N 0.150 123.052 122.820 0.138 0.000 2.067 498 A HA -0.038 3.502 4.320 -1.300 0.000 0.219 498 A C 1.579 179.390 177.584 0.378 0.000 1.158 498 A CA 0.626 52.772 52.037 0.181 0.000 0.661 498 A CB -0.541 18.542 19.000 0.137 0.000 0.801 498 A HN 0.097 nan 8.150 nan 0.000 0.452 499 F N -1.277 118.840 119.950 0.278 0.000 2.325 499 F HA -0.056 3.691 4.527 -1.300 0.000 0.299 499 F C 2.120 178.111 175.800 0.318 0.000 1.090 499 F CA 0.431 58.670 58.000 0.400 0.000 1.392 499 F CB -1.271 37.954 39.000 0.375 0.000 1.053 499 F HN 0.594 nan 8.300 nan 0.000 0.521 500 Y N 0.360 120.885 120.300 0.375 0.000 2.243 500 Y HA 0.129 3.894 4.550 -1.308 0.000 0.293 500 Y C 2.353 178.367 175.900 0.191 0.000 1.124 500 Y CA 1.162 59.407 58.100 0.242 0.000 1.159 500 Y CB -1.056 37.564 38.460 0.266 0.000 1.008 500 Y HN -0.043 nan 8.280 nan 0.000 0.527 501 G N 1.006 109.509 108.800 -0.495 0.000 2.446 501 G HA2 -0.278 2.902 3.960 -1.300 0.000 0.217 501 G HA3 -0.278 2.902 3.960 -1.300 0.000 0.217 501 G C 1.670 176.421 174.900 -0.247 0.000 1.168 501 G CA 2.267 47.014 45.100 -0.589 0.000 0.771 501 G HN 0.625 nan 8.290 nan 0.000 0.551 502 V N -0.578 119.288 119.914 -0.080 0.000 2.594 502 V HA -0.022 3.318 4.120 -1.300 0.000 0.253 502 V C 2.586 178.624 176.094 -0.093 0.000 1.069 502 V CA 1.374 63.630 62.300 -0.074 0.000 1.082 502 V CB -0.596 31.168 31.823 -0.099 0.000 0.680 502 V HN 0.336 nan 8.190 nan 0.000 0.469 503 L N 1.037 122.191 121.223 -0.115 0.000 2.551 503 L HA 0.178 3.738 4.340 -1.300 0.000 0.228 503 L C 2.277 179.180 176.870 0.055 0.000 1.153 503 L CA 1.020 55.828 54.840 -0.054 0.000 0.851 503 L CB -0.683 41.353 42.059 -0.039 0.000 0.959 503 L HN 0.539 nan 8.230 nan 0.000 0.451 504 G N -1.412 107.434 108.800 0.077 0.000 3.277 504 G HA2 0.028 3.208 3.960 -1.300 0.000 0.243 504 G HA3 0.028 3.208 3.960 -1.300 0.000 0.243 504 G C 0.386 175.504 174.900 0.364 0.000 1.107 504 G CA 0.092 45.326 45.100 0.223 0.000 0.771 504 G HN 0.154 nan 8.290 nan 0.000 0.544 505 T N -0.562 114.142 114.554 0.249 0.000 2.841 505 T HA 0.392 3.962 4.350 -1.300 0.000 0.283 505 T C 1.766 176.314 174.700 -0.252 0.000 1.000 505 T CA 0.382 62.461 62.100 -0.034 0.000 0.977 505 T CB 1.494 70.330 68.868 -0.053 0.000 0.979 505 T HN 0.080 nan 8.240 nan 0.000 0.446 506 T N 1.868 116.028 114.554 -0.656 0.000 3.051 506 T HA 0.053 3.623 4.350 -1.300 0.000 0.269 506 T C 1.987 176.511 174.700 -0.293 0.000 1.127 506 T CA 0.851 62.530 62.100 -0.701 0.000 1.107 506 T CB -0.323 68.130 68.868 -0.691 0.000 0.898 506 T HN 0.642 nan 8.240 nan 0.000 0.517 507 A N -0.083 122.619 122.820 -0.197 0.000 2.209 507 A HA 0.274 3.814 4.320 -1.300 0.000 0.212 507 A C 1.385 178.930 177.584 -0.065 0.000 1.158 507 A CA 0.133 52.102 52.037 -0.112 0.000 0.742 507 A CB -0.905 18.043 19.000 -0.086 0.000 0.790 507 A HN 0.694 nan 8.150 nan 0.000 0.472 508 C N 0.580 119.843 119.300 -0.062 0.000 2.329 508 C HA 0.536 4.216 4.460 -1.300 0.000 0.329 508 C C 2.050 176.992 174.990 -0.080 0.000 1.275 508 C CA -0.714 58.272 59.018 -0.053 0.000 1.726 508 C CB 0.562 28.271 27.740 -0.051 0.000 2.291 508 C HN 0.751 nan 8.230 nan 0.000 0.514 509 R N 2.423 122.802 120.500 -0.201 0.000 2.193 509 R HA -0.043 3.517 4.340 -1.300 0.000 0.229 509 R C 0.393 176.433 176.300 -0.433 0.000 1.110 509 R CA 1.824 57.723 56.100 -0.335 0.000 0.988 509 R CB -0.376 29.646 30.300 -0.464 0.000 0.871 509 R HN 0.651 nan 8.270 nan 0.000 0.458 510 F N 0.703 120.566 119.950 -0.145 0.000 2.692 510 F HA 0.212 3.956 4.527 -1.304 0.000 0.303 510 F C 0.408 176.152 175.800 -0.093 0.000 1.114 510 F CA -1.345 56.541 58.000 -0.191 0.000 1.361 510 F CB -0.327 38.479 39.000 -0.323 0.000 1.063 510 F HN -0.090 nan 8.300 nan 0.000 0.550 511 F N 2.428 122.350 119.950 -0.046 0.000 2.623 511 F HA 0.170 3.933 4.527 -1.273 0.000 0.383 511 F C 0.088 175.896 175.800 0.014 0.000 1.077 511 F CA 0.315 58.297 58.000 -0.031 0.000 1.268 511 F CB 0.196 39.163 39.000 -0.054 0.000 1.053 511 F HN -0.015 nan 8.300 nan 0.000 0.571 512 D N 7.461 127.342 120.400 -0.865 0.000 2.871 512 D HA 0.200 4.060 4.640 -1.300 0.000 0.209 512 D C -2.414 173.475 176.300 -0.686 0.000 1.292 512 D CA -1.375 52.160 54.000 -0.774 0.000 0.869 512 D CB 2.501 43.157 40.800 -0.240 0.000 1.663 512 D HN 0.146 nan 8.370 nan 0.000 0.557 513 P HA -0.029 nan 4.420 nan 0.000 0.218 513 P C 1.259 178.501 177.300 -0.096 0.000 1.148 513 P CA 0.991 63.951 63.100 -0.233 0.000 0.822 513 P CB 0.380 32.058 31.700 -0.038 0.000 0.784 514 R N -0.822 119.633 120.500 -0.075 0.000 2.105 514 R HA -0.081 3.479 4.340 -1.300 0.000 0.239 514 R C 2.263 178.626 176.300 0.105 0.000 1.135 514 R CA 1.145 57.253 56.100 0.014 0.000 0.967 514 R CB -0.951 29.340 30.300 -0.015 0.000 0.861 514 R HN 0.253 nan 8.270 nan 0.000 0.442 515 L N -0.298 120.968 121.223 0.072 0.000 2.005 515 L HA -0.100 3.460 4.340 -1.300 0.000 0.207 515 L C 2.695 179.608 176.870 0.071 0.000 1.072 515 L CA 1.264 56.188 54.840 0.140 0.000 0.744 515 L CB -0.619 41.494 42.059 0.089 0.000 0.895 515 L HN 0.218 nan 8.230 nan 0.000 0.433 516 A N -0.519 122.323 122.820 0.036 0.000 1.898 516 A HA -0.170 3.370 4.320 -1.300 0.000 0.216 516 A C 2.484 180.072 177.584 0.007 0.000 1.181 516 A CA 2.031 54.129 52.037 0.101 0.000 0.620 516 A CB -0.618 18.455 19.000 0.122 0.000 0.819 516 A HN 0.368 nan 8.150 nan 0.000 0.442 517 S N 0.013 115.698 115.700 -0.024 0.000 2.423 517 S HA -0.082 3.608 4.470 -1.300 0.000 0.231 517 S C 2.154 176.648 174.600 -0.176 0.000 1.014 517 S CA 1.224 59.358 58.200 -0.111 0.000 0.965 517 S CB -0.217 62.953 63.200 -0.050 0.000 0.785 517 S HN 0.590 nan 8.310 nan 0.000 0.495 518 S N 1.203 116.893 115.700 -0.017 0.000 2.423 518 S HA 0.091 3.781 4.470 -1.300 0.000 0.231 518 S C 1.647 176.142 174.600 -0.174 0.000 1.014 518 S CA 0.707 58.950 58.200 0.072 0.000 0.965 518 S CB -0.230 63.107 63.200 0.228 0.000 0.785 518 S HN 0.427 nan 8.310 nan 0.000 0.495 519 I N 1.138 121.532 120.570 -0.293 0.000 2.270 519 I HA -0.125 3.265 4.170 -1.300 0.000 0.239 519 I C 2.911 178.571 176.117 -0.762 0.000 1.080 519 I CA 1.519 62.517 61.300 -0.503 0.000 1.383 519 I CB -0.832 36.852 38.000 -0.527 0.000 1.097 519 I HN 0.366 nan 8.210 nan 0.000 0.420 520 T N -0.526 113.557 114.554 -0.786 0.000 2.746 520 T HA -0.190 3.380 4.350 -1.300 0.000 0.267 520 T C 1.867 175.967 174.700 -1.000 0.000 1.039 520 T CA 1.264 62.862 62.100 -0.837 0.000 1.142 520 T CB -0.444 68.124 68.868 -0.500 0.000 0.866 520 T HN 0.170 nan 8.240 nan 0.000 0.444 521 M N 0.210 119.221 119.600 -0.981 0.000 2.296 521 M HA 0.109 3.809 4.480 -1.300 0.000 0.265 521 M C 2.649 178.330 176.300 -1.032 0.000 1.064 521 M CA 1.233 55.778 55.300 -1.258 0.000 1.109 521 M CB -0.217 31.320 32.600 -1.772 0.000 1.396 521 M HN 0.152 nan 8.290 nan 0.000 0.430 522 R N 0.695 120.741 120.500 -0.756 0.000 2.092 522 R HA -0.041 3.519 4.340 -1.300 0.000 0.231 522 R C 2.083 178.157 176.300 -0.376 0.000 1.119 522 R CA 1.786 57.625 56.100 -0.436 0.000 0.970 522 R CB -1.145 28.825 30.300 -0.551 0.000 0.864 522 R HN 0.372 nan 8.270 nan 0.000 0.440 523 G N -0.925 107.621 108.800 -0.424 0.000 2.422 523 G HA2 -0.264 2.916 3.960 -1.300 0.000 0.218 523 G HA3 -0.264 2.916 3.960 -1.300 0.000 0.218 523 G C 1.095 175.983 174.900 -0.019 0.000 1.146 523 G CA 1.133 46.115 45.100 -0.197 0.000 0.769 523 G HN 0.537 nan 8.290 nan 0.000 0.547 524 H N -0.576 118.427 119.070 -0.111 0.000 2.321 524 H HA -0.087 3.692 4.556 -1.294 0.000 0.300 524 H C 2.604 177.890 175.328 -0.070 0.000 1.087 524 H CA 1.266 57.259 56.048 -0.092 0.000 1.319 524 H CB 0.060 29.695 29.762 -0.212 0.000 1.379 524 H HN 0.403 nan 8.280 nan 0.000 0.501 525 Q N 1.078 120.912 119.800 0.057 0.000 2.050 525 Q HA -0.159 3.401 4.340 -1.300 0.000 0.202 525 Q C 2.273 178.396 176.000 0.205 0.000 0.980 525 Q CA 1.518 57.389 55.803 0.114 0.000 0.840 525 Q CB -0.008 28.808 28.738 0.130 0.000 0.898 525 Q HN 0.488 nan 8.270 nan 0.000 0.424 526 I N 0.270 120.925 120.570 0.142 0.000 2.226 526 I HA -0.318 3.072 4.170 -1.300 0.000 0.245 526 I C 2.502 178.816 176.117 0.328 0.000 1.100 526 I CA 0.882 62.321 61.300 0.232 0.000 1.374 526 I CB -0.218 37.658 38.000 -0.206 0.000 1.057 526 I HN 0.371 nan 8.210 nan 0.000 0.413 527 M N 0.009 119.761 119.600 0.253 0.000 2.086 527 M HA -0.202 3.498 4.480 -1.300 0.000 0.261 527 M C 2.488 178.960 176.300 0.287 0.000 1.067 527 M CA 1.877 57.366 55.300 0.315 0.000 1.116 527 M CB -1.040 31.799 32.600 0.400 0.000 1.348 527 M HN 0.195 nan 8.290 nan 0.000 0.407 528 R N -0.491 120.144 120.500 0.226 0.000 2.075 528 R HA -0.188 3.372 4.340 -1.300 0.000 0.232 528 R C 2.223 178.588 176.300 0.108 0.000 1.126 528 R CA 1.357 57.546 56.100 0.147 0.000 0.963 528 R CB -0.366 29.958 30.300 0.040 0.000 0.858 528 R HN 0.306 nan 8.270 nan 0.000 0.435 529 Q N 0.358 120.241 119.800 0.138 0.000 2.124 529 Q HA -0.101 3.459 4.340 -1.300 0.000 0.202 529 Q C 1.724 177.676 176.000 -0.080 0.000 0.977 529 Q CA 2.075 57.875 55.803 -0.005 0.000 0.850 529 Q CB -0.237 28.528 28.738 0.044 0.000 0.901 529 Q HN 0.187 nan 8.270 nan 0.000 0.429 530 T N 0.461 115.099 114.554 0.140 0.000 2.746 530 T HA -0.169 3.401 4.350 -1.300 0.000 0.267 530 T C 1.581 176.309 174.700 0.047 0.000 1.039 530 T CA 1.576 63.755 62.100 0.132 0.000 1.142 530 T CB -0.241 68.832 68.868 0.342 0.000 0.866 530 T HN 0.401 nan 8.240 nan 0.000 0.444 531 K N 1.219 121.667 120.400 0.079 0.000 2.057 531 K HA -0.024 3.516 4.320 -1.300 0.000 0.207 531 K C 2.495 179.102 176.600 0.011 0.000 1.049 531 K CA 1.271 57.595 56.287 0.061 0.000 0.931 531 K CB -0.351 32.207 32.500 0.098 0.000 0.714 531 K HN 0.263 nan 8.250 nan 0.000 0.440 532 A N 1.317 124.121 122.820 -0.027 0.000 1.933 532 A HA -0.107 3.433 4.320 -1.300 0.000 0.218 532 A C 2.131 179.646 177.584 -0.114 0.000 1.175 532 A CA 1.281 53.278 52.037 -0.067 0.000 0.628 532 A CB -0.579 18.364 19.000 -0.094 0.000 0.814 532 A HN 0.343 nan 8.150 nan 0.000 0.444 533 L N -0.832 120.276 121.223 -0.191 0.000 2.046 533 L HA -0.171 3.389 4.340 -1.300 0.000 0.208 533 L C 2.470 179.315 176.870 -0.042 0.000 1.077 533 L CA 1.325 56.044 54.840 -0.202 0.000 0.747 533 L CB -0.466 41.375 42.059 -0.363 0.000 0.896 533 L HN 0.367 nan 8.230 nan 0.000 0.432 534 I N -0.428 120.134 120.570 -0.013 0.000 2.252 534 I HA -0.259 3.131 4.170 -1.300 0.000 0.245 534 I C 2.406 178.551 176.117 0.046 0.000 1.102 534 I CA 1.256 62.577 61.300 0.036 0.000 1.385 534 I CB -0.220 37.801 38.000 0.035 0.000 1.064 534 I HN 0.249 nan 8.210 nan 0.000 0.414 535 E N 0.800 121.011 120.200 0.018 0.000 2.106 535 E HA -0.187 3.383 4.350 -1.300 0.000 0.192 535 E C 2.311 178.891 176.600 -0.034 0.000 0.984 535 E CA 1.144 57.547 56.400 0.005 0.000 0.806 535 E CB -0.171 29.534 29.700 0.009 0.000 0.750 535 E HN 0.515 nan 8.360 nan 0.000 0.458 536 A N 0.987 123.781 122.820 -0.044 0.000 2.067 536 A HA -0.148 3.392 4.320 -1.300 0.000 0.219 536 A C 1.866 179.397 177.584 -0.089 0.000 1.158 536 A CA 0.945 52.946 52.037 -0.060 0.000 0.661 536 A CB -0.023 18.945 19.000 -0.054 0.000 0.801 536 A HN 0.071 nan 8.150 nan 0.000 0.452 537 Q N -1.237 118.511 119.800 -0.088 0.000 2.365 537 Q HA 0.190 3.750 4.340 -1.300 0.000 0.203 537 Q C 1.108 176.988 176.000 -0.199 0.000 0.929 537 Q CA 0.699 56.425 55.803 -0.128 0.000 0.948 537 Q CB 0.125 28.805 28.738 -0.097 0.000 1.043 537 Q HN 0.941 nan 8.270 nan 0.000 0.505 538 G N 0.056 108.722 108.800 -0.223 0.000 2.157 538 G HA2 -0.264 2.916 3.960 -1.300 0.000 0.239 538 G HA3 -0.264 2.916 3.960 -1.300 0.000 0.239 538 G C -0.370 174.202 174.900 -0.547 0.000 0.982 538 G CA -0.188 44.678 45.100 -0.390 0.000 0.650 538 G HN 0.294 nan 8.290 nan 0.000 0.527 539 Y N 0.740 120.976 120.300 -0.108 0.000 2.446 539 Y HA 0.612 4.382 4.550 -1.300 0.000 0.338 539 Y C 0.187 176.044 175.900 -0.071 0.000 1.055 539 Y CA -1.204 56.824 58.100 -0.119 0.000 1.101 539 Y CB 1.274 39.661 38.460 -0.121 0.000 1.221 539 Y HN -0.031 nan 8.280 nan 0.000 0.460 540 D N 1.200 121.659 120.400 0.098 0.000 2.302 540 D HA 0.326 4.186 4.640 -1.300 0.000 0.248 540 D C -0.907 175.504 176.300 0.185 0.000 1.094 540 D CA -0.019 54.067 54.000 0.144 0.000 0.897 540 D CB 1.684 42.627 40.800 0.239 0.000 1.200 540 D HN 0.153 nan 8.370 nan 0.000 0.429 541 V N 3.734 123.740 119.914 0.154 0.000 2.357 541 V HA 0.178 3.518 4.120 -1.300 0.000 0.284 541 V C 1.310 177.484 176.094 0.134 0.000 1.018 541 V CA -0.502 61.874 62.300 0.127 0.000 0.841 541 V CB 1.277 33.157 31.823 0.097 0.000 0.991 541 V HN 0.484 nan 8.190 nan 0.000 0.437 542 I N 2.429 123.062 120.570 0.105 0.000 3.783 542 I HA 0.419 3.809 4.170 -1.300 0.000 0.310 542 I C 0.200 176.367 176.117 0.084 0.000 1.274 542 I CA 0.501 61.837 61.300 0.061 0.000 1.294 542 I CB 0.314 38.243 38.000 -0.118 0.000 1.051 542 I HN 0.521 nan 8.210 nan 0.000 0.435 543 Y N 0.723 120.960 120.300 -0.106 0.000 2.702 543 Y HA 0.663 4.434 4.550 -1.298 0.000 0.336 543 Y C -1.074 174.758 175.900 -0.114 0.000 1.203 543 Y CA -0.898 57.065 58.100 -0.229 0.000 1.072 543 Y CB 1.255 39.375 38.460 -0.566 0.000 1.327 543 Y HN 0.051 nan 8.280 nan 0.000 0.456 544 G N 2.315 110.556 108.800 -0.933 0.000 2.702 544 G HA2 0.458 3.638 3.960 -1.300 0.000 0.296 544 G HA3 0.458 3.638 3.960 -1.300 0.000 0.296 544 G C -2.628 171.755 174.900 -0.861 0.000 1.463 544 G CA -0.676 44.057 45.100 -0.612 0.000 0.890 544 G HN 0.540 nan 8.290 nan 0.000 0.534 545 D N 0.735 120.865 120.400 -0.451 0.000 2.402 545 D HA 0.511 4.371 4.640 -1.300 0.000 0.252 545 D C 1.161 177.411 176.300 -0.083 0.000 1.294 545 D CA 0.634 54.462 54.000 -0.286 0.000 0.948 545 D CB 0.997 41.702 40.800 -0.159 0.000 1.202 545 D HN 0.538 nan 8.370 nan 0.000 0.561 546 T N 2.290 116.817 114.554 -0.045 0.000 12.940 546 T HA -0.286 3.284 4.350 -1.300 0.000 0.419 546 T C 0.639 175.391 174.700 0.088 0.000 1.444 546 T CA 1.842 63.974 62.100 0.052 0.000 2.373 546 T CB -1.101 67.760 68.868 -0.012 0.000 2.821 546 T HN 0.624 nan 8.240 nan 0.000 0.696 547 D N 1.390 121.835 120.400 0.075 0.000 2.594 547 D HA 0.336 4.196 4.640 -1.300 0.000 0.256 547 D C 0.072 176.507 176.300 0.224 0.000 1.393 547 D CA 0.525 54.637 54.000 0.187 0.000 0.797 547 D CB 0.023 40.903 40.800 0.134 0.000 1.110 547 D HN 0.729 nan 8.370 nan 0.000 0.495 548 S N -0.118 115.651 115.700 0.116 0.000 2.566 548 S HA 0.778 4.468 4.470 -1.300 0.000 0.298 548 S C -0.277 174.367 174.600 0.073 0.000 1.083 548 S CA -0.468 57.772 58.200 0.066 0.000 0.978 548 S CB 1.975 65.224 63.200 0.082 0.000 1.073 548 S HN 0.227 nan 8.310 nan 0.000 0.491 549 T N -0.315 114.258 114.554 0.031 0.000 2.879 549 T HA 0.628 4.198 4.350 -1.300 0.000 0.290 549 T C -1.093 173.626 174.700 0.033 0.000 0.993 549 T CA -0.599 61.545 62.100 0.073 0.000 0.975 549 T CB 0.277 69.167 68.868 0.038 0.000 0.981 549 T HN 0.515 nan 8.240 nan 0.000 0.439 550 F N 2.373 122.238 119.950 -0.140 0.000 2.391 550 F HA 0.531 4.278 4.527 -1.301 0.000 0.359 550 F C 0.069 175.771 175.800 -0.164 0.000 1.122 550 F CA -1.010 56.867 58.000 -0.204 0.000 1.120 550 F CB 1.530 40.367 39.000 -0.272 0.000 1.142 550 F HN 0.355 nan 8.300 nan 0.000 0.483 551 V N 3.485 123.360 119.914 -0.066 0.000 2.347 551 V HA 0.093 3.433 4.120 -1.300 0.000 0.280 551 V C -0.722 175.371 176.094 -0.002 0.000 1.021 551 V CA -0.860 61.418 62.300 -0.038 0.000 0.847 551 V CB 0.936 32.680 31.823 -0.133 0.000 0.990 551 V HN 0.668 nan 8.190 nan 0.000 0.444 552 W N 7.324 128.540 121.300 -0.140 0.000 2.358 552 W HA 0.509 4.388 4.660 -1.301 0.000 0.307 552 W C -0.625 175.887 176.519 -0.012 0.000 1.203 552 W CA -1.536 55.736 57.345 -0.122 0.000 1.279 552 W CB 0.595 29.986 29.460 -0.115 0.000 1.264 552 W HN 0.436 nan 8.180 nan 0.000 0.474 553 L N 8.341 129.609 121.223 0.076 0.000 2.288 553 L HA 0.256 3.816 4.340 -1.300 0.000 0.283 553 L C 0.696 177.530 176.870 -0.059 0.000 1.072 553 L CA -0.634 54.127 54.840 -0.133 0.000 0.862 553 L CB 0.025 41.782 42.059 -0.503 0.000 1.245 553 L HN 0.297 nan 8.230 nan 0.000 0.432 554 K N 2.632 122.850 120.400 -0.304 0.000 2.436 554 K HA 0.469 4.009 4.320 -1.300 0.000 0.275 554 K C 0.773 177.464 176.600 0.153 0.000 0.999 554 K CA 0.337 56.486 56.287 -0.230 0.000 0.980 554 K CB 0.707 32.923 32.500 -0.474 0.000 0.919 554 K HN 0.780 nan 8.250 nan 0.000 0.484 555 G N 0.862 109.773 108.800 0.185 0.000 2.582 555 G HA2 -0.044 3.136 3.960 -1.300 0.000 0.222 555 G HA3 -0.044 3.136 3.960 -1.300 0.000 0.222 555 G C -1.051 173.926 174.900 0.128 0.000 1.311 555 G CA -0.551 44.619 45.100 0.117 0.000 0.915 555 G HN 0.791 nan 8.290 nan 0.000 0.528 556 A N 0.317 123.087 122.820 -0.082 0.000 2.309 556 A HA 0.742 4.282 4.320 -1.300 0.000 0.290 556 A C -0.214 177.176 177.584 -0.323 0.000 1.206 556 A CA 0.210 52.199 52.037 -0.081 0.000 0.850 556 A CB 0.267 19.224 19.000 -0.071 0.000 1.118 556 A HN 1.229 nan 8.150 nan 0.000 0.523 557 H N 0.970 120.073 119.070 0.054 0.000 2.782 557 H HA 0.460 4.236 4.556 -1.299 0.000 0.347 557 H C 0.321 175.658 175.328 0.014 0.000 1.038 557 H CA 0.014 56.063 56.048 0.003 0.000 1.255 557 H CB 1.803 31.528 29.762 -0.062 0.000 1.623 557 H HN 0.741 nan 8.280 nan 0.000 0.525 558 S N 1.692 117.439 115.700 0.078 0.000 2.624 558 S HA 0.071 3.761 4.470 -1.300 0.000 0.263 558 S C 1.138 175.758 174.600 0.034 0.000 1.287 558 S CA -0.649 57.589 58.200 0.063 0.000 0.990 558 S CB 1.105 64.320 63.200 0.025 0.000 0.950 558 S HN 0.638 nan 8.310 nan 0.000 0.561 559 E N 0.941 121.185 120.200 0.072 0.000 2.085 559 E HA -0.180 3.390 4.350 -1.300 0.000 0.194 559 E C 1.869 178.460 176.600 -0.015 0.000 0.994 559 E CA 1.627 58.071 56.400 0.073 0.000 0.801 559 E CB -0.515 29.244 29.700 0.099 0.000 0.743 559 E HN 0.919 nan 8.360 nan 0.000 0.453 560 E N 0.485 120.678 120.200 -0.012 0.000 2.051 560 E HA -0.230 3.340 4.350 -1.300 0.000 0.192 560 E C 2.007 178.567 176.600 -0.066 0.000 0.991 560 E CA 1.459 57.841 56.400 -0.031 0.000 0.799 560 E CB 0.042 29.732 29.700 -0.017 0.000 0.748 560 E HN 0.136 nan 8.360 nan 0.000 0.449 561 E N 0.312 120.478 120.200 -0.056 0.000 2.107 561 E HA -0.114 3.456 4.350 -1.300 0.000 0.191 561 E C 1.731 178.251 176.600 -0.133 0.000 0.982 561 E CA 1.303 57.672 56.400 -0.053 0.000 0.809 561 E CB -0.229 29.483 29.700 0.020 0.000 0.756 561 E HN 0.298 nan 8.360 nan 0.000 0.459 562 A N 0.980 123.660 122.820 -0.233 0.000 1.902 562 A HA -0.010 3.530 4.320 -1.300 0.000 0.217 562 A C 2.467 179.792 177.584 -0.432 0.000 1.181 562 A CA 1.883 53.645 52.037 -0.458 0.000 0.623 562 A CB -1.012 17.394 19.000 -0.989 0.000 0.818 562 A HN 0.431 nan 8.150 nan 0.000 0.443 563 A N -0.431 122.207 122.820 -0.305 0.000 1.969 563 A HA -0.111 3.429 4.320 -1.300 0.000 0.218 563 A C 2.106 179.426 177.584 -0.441 0.000 1.169 563 A CA 1.860 53.673 52.037 -0.374 0.000 0.635 563 A CB -0.390 18.572 19.000 -0.063 0.000 0.810 563 A HN 0.552 nan 8.150 nan 0.000 0.445 564 K N -0.188 120.048 120.400 -0.273 0.000 2.057 564 K HA -0.062 3.478 4.320 -1.300 0.000 0.206 564 K C 1.773 178.215 176.600 -0.263 0.000 1.050 564 K CA 1.523 57.683 56.287 -0.212 0.000 0.935 564 K CB -0.290 32.134 32.500 -0.128 0.000 0.715 564 K HN 0.497 nan 8.250 nan 0.000 0.439 565 I N 0.454 120.841 120.570 -0.304 0.000 2.226 565 I HA -0.183 3.207 4.170 -1.300 0.000 0.245 565 I C 2.442 178.292 176.117 -0.445 0.000 1.100 565 I CA 1.341 62.441 61.300 -0.334 0.000 1.374 565 I CB -0.590 37.174 38.000 -0.394 0.000 1.057 565 I HN 0.382 nan 8.210 nan 0.000 0.413 566 G N 0.838 109.246 108.800 -0.654 0.000 2.446 566 G HA2 -0.227 2.953 3.960 -1.300 0.000 0.217 566 G HA3 -0.227 2.953 3.960 -1.300 0.000 0.217 566 G C 1.802 176.366 174.900 -0.559 0.000 1.168 566 G CA 0.480 45.101 45.100 -0.800 0.000 0.771 566 G HN 0.292 nan 8.290 nan 0.000 0.551 567 R N 0.533 120.711 120.500 -0.536 0.000 2.081 567 R HA 0.025 3.585 4.340 -1.300 0.000 0.235 567 R C 3.013 179.225 176.300 -0.148 0.000 1.131 567 R CA 1.139 57.089 56.100 -0.249 0.000 0.960 567 R CB -0.410 29.781 30.300 -0.183 0.000 0.856 567 R HN 0.356 nan 8.270 nan 0.000 0.436 568 A N 1.345 124.070 122.820 -0.158 0.000 1.902 568 A HA -0.106 3.434 4.320 -1.300 0.000 0.217 568 A C 2.203 179.760 177.584 -0.045 0.000 1.181 568 A CA 1.059 53.047 52.037 -0.082 0.000 0.623 568 A CB -0.481 18.468 19.000 -0.084 0.000 0.818 568 A HN 0.161 nan 8.150 nan 0.000 0.443 569 L N 0.015 121.176 121.223 -0.102 0.000 2.046 569 L HA -0.175 3.385 4.340 -1.300 0.000 0.208 569 L C 2.733 179.610 176.870 0.011 0.000 1.077 569 L CA 1.644 56.454 54.840 -0.049 0.000 0.747 569 L CB -0.670 41.305 42.059 -0.140 0.000 0.896 569 L HN 0.473 nan 8.230 nan 0.000 0.432 570 V N -2.995 116.900 119.914 -0.031 0.000 2.515 570 V HA -0.239 3.101 4.120 -1.300 0.000 0.250 570 V C 2.383 178.508 176.094 0.051 0.000 1.058 570 V CA 1.504 63.804 62.300 -0.000 0.000 1.064 570 V CB -0.676 31.138 31.823 -0.015 0.000 0.675 570 V HN 0.486 nan 8.190 nan 0.000 0.461 571 Q N 0.811 120.642 119.800 0.052 0.000 2.050 571 Q HA -0.296 3.264 4.340 -1.300 0.000 0.202 571 Q C 2.333 178.400 176.000 0.112 0.000 0.980 571 Q CA 2.703 58.551 55.803 0.074 0.000 0.840 571 Q CB -0.588 28.183 28.738 0.054 0.000 0.898 571 Q HN 0.931 nan 8.270 nan 0.000 0.424 572 H N -0.007 119.081 119.070 0.029 0.000 2.319 572 H HA -0.081 3.696 4.556 -1.299 0.000 0.299 572 H C 2.002 177.378 175.328 0.079 0.000 1.092 572 H CA 2.265 58.340 56.048 0.045 0.000 1.302 572 H CB -0.209 29.559 29.762 0.010 0.000 1.373 572 H HN 0.057 nan 8.280 nan 0.000 0.497 573 V N 1.073 120.970 119.914 -0.028 0.000 2.343 573 V HA -0.261 3.079 4.120 -1.300 0.000 0.247 573 V C 2.082 178.267 176.094 0.152 0.000 1.051 573 V CA 1.993 64.263 62.300 -0.050 0.000 1.036 573 V CB -0.499 31.365 31.823 0.069 0.000 0.654 573 V HN 0.559 nan 8.190 nan 0.000 0.451 574 N N 0.629 119.454 118.700 0.209 0.000 2.166 574 N HA -0.094 3.866 4.740 -1.300 0.000 0.186 574 N C 1.850 177.500 175.510 0.235 0.000 1.019 574 N CA 1.605 54.833 53.050 0.297 0.000 0.856 574 N CB -0.469 38.144 38.487 0.209 0.000 0.993 574 N HN 0.498 nan 8.380 nan 0.000 0.426 575 A N -0.296 122.602 122.820 0.130 0.000 1.930 575 A HA -0.117 3.423 4.320 -1.300 0.000 0.217 575 A C 2.166 179.787 177.584 0.061 0.000 1.175 575 A CA 0.883 52.968 52.037 0.079 0.000 0.627 575 A CB -1.011 18.020 19.000 0.052 0.000 0.815 575 A HN 0.490 nan 8.150 nan 0.000 0.443 576 W N -0.711 120.476 121.300 -0.187 0.000 2.358 576 W HA -0.172 3.706 4.660 -1.303 0.000 0.303 576 W C 1.949 178.365 176.519 -0.171 0.000 1.208 576 W CA 1.711 58.890 57.345 -0.277 0.000 1.274 576 W CB -0.334 28.816 29.460 -0.515 0.000 1.138 576 W HN 0.463 nan 8.180 nan 0.000 0.515 577 W N -0.010 121.474 121.300 0.307 0.000 2.358 577 W HA -0.170 3.712 4.660 -1.297 0.000 0.303 577 W C 2.616 179.115 176.519 -0.034 0.000 1.208 577 W CA 1.597 59.053 57.345 0.185 0.000 1.274 577 W CB -0.889 28.724 29.460 0.254 0.000 1.138 577 W HN -0.070 nan 8.180 nan 0.000 0.515 578 A N 0.121 123.060 122.820 0.198 0.000 1.902 578 A HA -0.272 3.268 4.320 -1.300 0.000 0.217 578 A C 1.869 179.426 177.584 -0.046 0.000 1.181 578 A CA 1.966 54.038 52.037 0.059 0.000 0.623 578 A CB -0.956 18.073 19.000 0.048 0.000 0.818 578 A HN 0.419 nan 8.150 nan 0.000 0.443 579 E N -0.739 119.385 120.200 -0.127 0.000 2.031 579 E HA -0.169 3.401 4.350 -1.300 0.000 0.193 579 E C 1.996 178.426 176.600 -0.284 0.000 0.994 579 E CA 1.741 58.014 56.400 -0.211 0.000 0.800 579 E CB -0.227 29.302 29.700 -0.285 0.000 0.752 579 E HN 0.519 nan 8.360 nan 0.000 0.447 580 T N 1.708 115.982 114.554 -0.467 0.000 2.708 580 T HA -0.118 3.452 4.350 -1.300 0.000 0.266 580 T C 1.924 176.527 174.700 -0.162 0.000 1.037 580 T CA 1.282 63.106 62.100 -0.460 0.000 1.146 580 T CB -0.178 68.185 68.868 -0.842 0.000 0.865 580 T HN 0.167 nan 8.240 nan 0.000 0.435 581 L N 0.790 121.981 121.223 -0.054 0.000 2.201 581 L HA -0.059 3.501 4.340 -1.300 0.000 0.212 581 L C 2.844 179.670 176.870 -0.073 0.000 1.105 581 L CA 1.073 55.892 54.840 -0.035 0.000 0.775 581 L CB -0.553 41.474 42.059 -0.053 0.000 0.913 581 L HN 0.325 nan 8.230 nan 0.000 0.440 582 Q N 1.165 120.917 119.800 -0.080 0.000 2.170 582 Q HA -0.231 3.329 4.340 -1.300 0.000 0.203 582 Q C 2.415 178.375 176.000 -0.066 0.000 0.976 582 Q CA 2.198 57.958 55.803 -0.072 0.000 0.858 582 Q CB 0.046 28.742 28.738 -0.071 0.000 0.907 582 Q HN 0.459 nan 8.270 nan 0.000 0.433 583 K N 0.439 120.793 120.400 -0.077 0.000 2.362 583 K HA -0.103 3.437 4.320 -1.300 0.000 0.200 583 K C 1.403 177.979 176.600 -0.040 0.000 1.046 583 K CA 1.423 57.673 56.287 -0.062 0.000 0.952 583 K CB -0.324 32.128 32.500 -0.079 0.000 0.753 583 K HN 0.494 nan 8.250 nan 0.000 0.466 584 Q N -0.465 119.314 119.800 -0.036 0.000 2.246 584 Q HA 0.145 3.705 4.340 -1.300 0.000 0.202 584 Q C -0.461 175.528 176.000 -0.019 0.000 0.883 584 Q CA -0.495 55.300 55.803 -0.013 0.000 0.952 584 Q CB 0.642 29.383 28.738 0.005 0.000 1.078 584 Q HN 0.356 nan 8.270 nan 0.000 0.493 585 R N -0.044 120.436 120.500 -0.033 0.000 3.525 585 R HA -0.184 3.376 4.340 -1.300 0.000 0.276 585 R C -0.792 175.478 176.300 -0.049 0.000 1.116 585 R CA 0.700 56.779 56.100 -0.034 0.000 0.745 585 R CB -2.555 27.734 30.300 -0.018 0.000 1.185 585 R HN 0.303 nan 8.270 nan 0.000 0.454 586 L N -0.490 120.685 121.223 -0.081 0.000 2.323 586 L HA 0.513 4.073 4.340 -1.300 0.000 0.265 586 L C 0.508 177.292 176.870 -0.143 0.000 1.012 586 L CA -0.842 53.916 54.840 -0.137 0.000 0.820 586 L CB 2.280 44.205 42.059 -0.222 0.000 1.334 586 L HN -0.142 nan 8.230 nan 0.000 0.427 587 T N 0.451 114.902 114.554 -0.171 0.000 2.772 587 T HA 0.167 3.737 4.350 -1.300 0.000 0.288 587 T C -0.113 174.472 174.700 -0.192 0.000 0.994 587 T CA -0.250 61.763 62.100 -0.145 0.000 0.951 587 T CB 1.322 70.118 68.868 -0.120 0.000 0.933 587 T HN 0.508 nan 8.240 nan 0.000 0.447 588 S N 2.251 117.865 115.700 -0.143 0.000 2.510 588 S HA 0.400 4.090 4.470 -1.300 0.000 0.279 588 S C 1.084 175.608 174.600 -0.127 0.000 1.284 588 S CA -0.497 57.617 58.200 -0.142 0.000 1.059 588 S CB 0.188 63.384 63.200 -0.006 0.000 0.901 588 S HN 0.815 nan 8.310 nan 0.000 0.491 589 A N 5.637 128.349 122.820 -0.180 0.000 2.390 589 A HA 0.382 3.922 4.320 -1.300 0.000 0.232 589 A C 0.519 178.067 177.584 -0.059 0.000 1.233 589 A CA -0.350 51.575 52.037 -0.186 0.000 0.907 589 A CB -0.130 18.676 19.000 -0.323 0.000 0.967 589 A HN 0.785 nan 8.150 nan 0.000 0.512 590 L N 0.804 122.002 121.223 -0.042 0.000 2.455 590 L HA 0.220 3.780 4.340 -1.300 0.000 0.272 590 L C 0.429 177.444 176.870 0.241 0.000 1.174 590 L CA 0.257 55.118 54.840 0.035 0.000 0.869 590 L CB 0.358 42.272 42.059 -0.241 0.000 1.130 590 L HN 0.400 nan 8.230 nan 0.000 0.474 591 E N 3.764 124.200 120.200 0.392 0.000 2.580 591 E HA 0.230 3.800 4.350 -1.300 0.000 0.248 591 E C -1.269 175.478 176.600 0.245 0.000 1.018 591 E CA -0.847 55.749 56.400 0.327 0.000 0.775 591 E CB 1.232 31.115 29.700 0.305 0.000 1.378 591 E HN 0.396 nan 8.360 nan 0.000 0.401 592 L N 3.292 124.544 121.223 0.048 0.000 2.455 592 L HA 0.245 3.805 4.340 -1.300 0.000 0.272 592 L C -0.469 176.324 176.870 -0.129 0.000 1.174 592 L CA 0.826 55.433 54.840 -0.388 0.000 0.869 592 L CB 0.686 42.458 42.059 -0.478 0.000 1.130 592 L HN 0.509 nan 8.230 nan 0.000 0.474 593 E N 3.371 123.487 120.200 -0.140 0.000 2.227 593 E HA 0.162 3.732 4.350 -1.300 0.000 0.268 593 E C -1.680 174.890 176.600 -0.049 0.000 0.907 593 E CA -0.861 55.504 56.400 -0.058 0.000 0.786 593 E CB 1.839 31.504 29.700 -0.059 0.000 1.191 593 E HN 0.504 nan 8.360 nan 0.000 0.411 594 Y N 2.526 122.747 120.300 -0.132 0.000 2.452 594 Y HA 0.122 3.891 4.550 -1.301 0.000 0.348 594 Y C 0.552 176.355 175.900 -0.161 0.000 0.985 594 Y CA 0.249 58.255 58.100 -0.158 0.000 1.214 594 Y CB 0.443 38.819 38.460 -0.139 0.000 1.136 594 Y HN 0.618 nan 8.280 nan 0.000 0.523 595 E N 2.676 122.540 120.200 -0.559 0.000 2.110 595 E HA 0.115 3.685 4.350 -1.300 0.000 0.193 595 E C -0.274 175.876 176.600 -0.749 0.000 0.950 595 E CA 0.839 56.902 56.400 -0.561 0.000 0.840 595 E CB 0.472 29.949 29.700 -0.371 0.000 0.809 595 E HN 0.549 nan 8.360 nan 0.000 0.465 596 T N -0.773 113.302 114.554 -0.798 0.000 2.923 596 T HA 0.185 3.755 4.350 -1.300 0.000 0.311 596 T C -1.309 173.097 174.700 -0.490 0.000 1.183 596 T CA -0.686 60.987 62.100 -0.712 0.000 1.020 596 T CB 2.090 70.466 68.868 -0.821 0.000 1.165 596 T HN 0.153 nan 8.240 nan 0.000 0.482 597 H N 2.068 120.864 119.070 -0.458 0.000 2.708 597 H HA 0.469 4.245 4.556 -1.300 0.000 0.320 597 H C -1.458 173.698 175.328 -0.287 0.000 0.991 597 H CA -0.785 55.122 56.048 -0.236 0.000 1.243 597 H CB 0.327 30.066 29.762 -0.039 0.000 1.446 597 H HN 0.367 nan 8.280 nan 0.000 0.502 598 F N 5.075 124.821 119.950 -0.340 0.000 2.404 598 F HA 0.089 3.836 4.527 -1.301 0.000 0.358 598 F C 1.810 177.306 175.800 -0.506 0.000 1.120 598 F CA -0.651 57.138 58.000 -0.352 0.000 1.144 598 F CB 0.647 39.580 39.000 -0.112 0.000 1.133 598 F HN 0.671 nan 8.300 nan 0.000 0.495 599 C N 1.721 120.768 119.300 -0.422 0.000 2.432 599 C HA 0.209 3.889 4.460 -1.300 0.000 0.282 599 C C 0.839 175.779 174.990 -0.083 0.000 1.388 599 C CA -0.004 58.841 59.018 -0.289 0.000 1.777 599 C CB -0.774 26.847 27.740 -0.198 0.000 1.882 599 C HN 0.574 nan 8.230 nan 0.000 0.520 600 R N -0.487 119.919 120.500 -0.156 0.000 2.651 600 R HA 0.663 4.223 4.340 -1.300 0.000 0.278 600 R C -1.810 174.313 176.300 -0.294 0.000 1.010 600 R CA -0.403 55.562 56.100 -0.225 0.000 0.896 600 R CB 1.927 31.959 30.300 -0.446 0.000 1.211 600 R HN 0.409 nan 8.270 nan 0.000 0.456 601 F N 1.880 121.643 119.950 -0.311 0.000 2.596 601 F HA 0.479 4.225 4.527 -1.300 0.000 0.311 601 F C -1.721 174.022 175.800 -0.096 0.000 1.116 601 F CA -1.025 56.789 58.000 -0.311 0.000 0.957 601 F CB 1.594 40.447 39.000 -0.245 0.000 1.250 601 F HN 0.371 nan 8.300 nan 0.000 0.444 602 L N 7.119 127.922 121.223 -0.701 0.000 2.325 602 L HA 0.688 4.248 4.340 -1.300 0.000 0.281 602 L C -1.409 175.029 176.870 -0.719 0.000 1.004 602 L CA -0.576 53.950 54.840 -0.523 0.000 0.823 602 L CB 1.420 43.289 42.059 -0.317 0.000 1.236 602 L HN 0.713 nan 8.230 nan 0.000 0.415 603 M N 9.432 128.758 119.600 -0.458 0.000 2.072 603 M HA 0.617 4.317 4.480 -1.300 0.000 0.331 603 M C -2.604 173.531 176.300 -0.275 0.000 1.004 603 M CA -2.497 52.613 55.300 -0.317 0.000 0.952 603 M CB 1.175 33.724 32.600 -0.085 0.000 1.511 603 M HN 0.326 nan 8.290 nan 0.000 0.422 604 P HA 0.347 nan 4.420 nan 0.000 0.276 604 P C -0.821 176.536 177.300 0.095 0.000 1.261 604 P CA -0.256 62.886 63.100 0.071 0.000 0.800 604 P CB 0.477 32.197 31.700 0.032 0.000 1.066 605 T N -1.821 112.829 114.554 0.160 0.000 2.912 605 T HA 0.419 3.989 4.350 -1.300 0.000 0.280 605 T C 0.771 175.480 174.700 0.015 0.000 0.989 605 T CA -0.913 61.227 62.100 0.066 0.000 0.995 605 T CB 0.325 69.210 68.868 0.029 0.000 1.077 605 T HN 0.134 nan 8.240 nan 0.000 0.531 606 I N 1.186 121.758 120.570 0.002 0.000 2.754 606 I HA 0.143 3.533 4.170 -1.300 0.000 0.285 606 I C 1.313 177.425 176.117 -0.008 0.000 1.166 606 I CA -0.062 61.236 61.300 -0.003 0.000 1.417 606 I CB 0.398 38.400 38.000 0.003 0.000 1.382 606 I HN 0.771 nan 8.210 nan 0.000 0.588 607 R N 2.942 123.439 120.500 -0.005 0.000 2.449 607 R HA 0.220 3.780 4.340 -1.300 0.000 0.296 607 R C 0.941 177.235 176.300 -0.010 0.000 1.047 607 R CA 0.996 57.090 56.100 -0.010 0.000 1.018 607 R CB 0.192 30.493 30.300 0.002 0.000 0.962 607 R HN 0.950 nan 8.270 nan 0.000 0.428 608 G N 1.526 110.313 108.800 -0.021 0.000 2.159 608 G HA2 -0.258 2.922 3.960 -1.300 0.000 0.256 608 G HA3 -0.258 2.922 3.960 -1.300 0.000 0.256 608 G C -0.221 174.668 174.900 -0.018 0.000 0.977 608 G CA 0.139 45.228 45.100 -0.018 0.000 0.652 608 G HN 0.915 nan 8.290 nan 0.000 0.531 609 A N -1.230 121.577 122.820 -0.022 0.000 2.583 609 A HA 0.737 4.277 4.320 -1.300 0.000 0.289 609 A C 0.178 177.748 177.584 -0.023 0.000 1.151 609 A CA 0.317 52.344 52.037 -0.017 0.000 0.695 609 A CB 0.650 19.648 19.000 -0.004 0.000 1.290 609 A HN -0.028 nan 8.150 nan 0.000 0.419 610 D N 0.475 120.866 120.400 -0.014 0.000 2.339 610 D HA 0.100 3.960 4.640 -1.300 0.000 0.217 610 D C 0.129 176.437 176.300 0.012 0.000 1.050 610 D CA 0.790 54.783 54.000 -0.011 0.000 0.856 610 D CB 0.186 40.981 40.800 -0.009 0.000 0.922 610 D HN 0.471 nan 8.370 nan 0.000 0.518 611 T N 0.666 115.228 114.554 0.013 0.000 2.901 611 T HA 0.355 3.925 4.350 -1.300 0.000 0.301 611 T C 0.854 175.568 174.700 0.022 0.000 1.012 611 T CA -0.295 61.818 62.100 0.022 0.000 1.135 611 T CB 1.422 70.302 68.868 0.020 0.000 0.936 611 T HN 0.018 nan 8.240 nan 0.000 0.539 612 G N 1.857 110.672 108.800 0.025 0.000 2.441 612 G HA2 0.372 3.552 3.960 -1.300 0.000 0.243 612 G HA3 0.372 3.552 3.960 -1.300 0.000 0.243 612 G C 0.231 175.117 174.900 -0.024 0.000 1.281 612 G CA -0.473 44.630 45.100 0.005 0.000 0.854 612 G HN 0.692 nan 8.290 nan 0.000 0.560 613 S N 0.437 116.101 115.700 -0.061 0.000 2.669 613 S HA 0.536 4.226 4.470 -1.300 0.000 0.270 613 S C 0.155 174.664 174.600 -0.152 0.000 1.225 613 S CA -0.454 57.700 58.200 -0.077 0.000 0.991 613 S CB 0.699 63.855 63.200 -0.074 0.000 0.987 613 S HN 0.522 nan 8.310 nan 0.000 0.552 614 K N 1.068 121.419 120.400 -0.082 0.000 2.375 614 K HA 0.420 3.960 4.320 -1.300 0.000 0.249 614 K C -0.346 176.260 176.600 0.011 0.000 0.942 614 K CA -0.873 55.398 56.287 -0.027 0.000 0.806 614 K CB 1.391 33.960 32.500 0.114 0.000 1.227 614 K HN 0.703 nan 8.250 nan 0.000 0.430 615 K N 0.804 121.283 120.400 0.131 0.000 3.274 615 K HA -0.253 3.287 4.320 -1.300 0.000 0.300 615 K C -0.662 175.917 176.600 -0.035 0.000 1.230 615 K CA 1.118 57.477 56.287 0.121 0.000 0.884 615 K CB -0.824 31.734 32.500 0.096 0.000 1.242 615 K HN 0.538 nan 8.250 nan 0.000 0.467 616 R N 0.162 120.609 120.500 -0.088 0.000 2.502 616 R HA 0.427 3.987 4.340 -1.300 0.000 0.298 616 R C -1.027 175.186 176.300 -0.145 0.000 1.018 616 R CA -0.828 55.168 56.100 -0.173 0.000 0.899 616 R CB 1.152 31.375 30.300 -0.128 0.000 1.181 616 R HN 0.211 nan 8.270 nan 0.000 0.444 617 Y N -0.542 119.639 120.300 -0.198 0.000 2.779 617 Y HA 0.826 4.596 4.550 -1.301 0.000 0.340 617 Y C -1.846 173.852 175.900 -0.336 0.000 1.252 617 Y CA -1.371 56.520 58.100 -0.347 0.000 1.072 617 Y CB 1.025 39.209 38.460 -0.460 0.000 1.343 617 Y HN 0.570 nan 8.280 nan 0.000 0.450 618 A N 0.348 122.984 122.820 -0.307 0.000 2.587 618 A HA 0.992 4.532 4.320 -1.300 0.000 0.293 618 A C -0.700 176.543 177.584 -0.569 0.000 1.087 618 A CA -0.414 51.369 52.037 -0.424 0.000 0.692 618 A CB 1.478 20.208 19.000 -0.450 0.000 1.291 618 A HN 2.007 nan 8.150 nan 0.000 0.407 619 G N -0.847 107.598 108.800 -0.591 0.000 2.646 619 G HA2 0.638 3.817 3.960 -1.300 0.000 0.291 619 G HA3 0.638 3.817 3.960 -1.300 0.000 0.291 619 G C -2.174 172.447 174.900 -0.464 0.000 1.445 619 G CA -0.513 44.108 45.100 -0.800 0.000 0.814 619 G HN 1.394 nan 8.290 nan 0.000 0.495 620 L N 0.443 121.362 121.223 -0.506 0.000 2.322 620 L HA 0.803 4.363 4.340 -1.300 0.000 0.281 620 L C -0.738 176.115 176.870 -0.028 0.000 1.014 620 L CA -0.769 53.915 54.840 -0.261 0.000 0.815 620 L CB 1.329 43.120 42.059 -0.447 0.000 1.247 620 L HN 0.432 nan 8.230 nan 0.000 0.421 621 I N 3.906 124.470 120.570 -0.010 0.000 2.404 621 I HA 0.367 3.757 4.170 -1.300 0.000 0.293 621 I C -0.648 175.424 176.117 -0.074 0.000 0.992 621 I CA -0.710 60.537 61.300 -0.088 0.000 1.149 621 I CB 1.894 39.821 38.000 -0.122 0.000 1.315 621 I HN 0.577 nan 8.210 nan 0.000 0.446 622 Q N 6.805 126.552 119.800 -0.088 0.000 2.360 622 Q HA 0.247 3.807 4.340 -1.300 0.000 0.254 622 Q C -1.137 174.847 176.000 -0.027 0.000 0.975 622 Q CA -0.238 55.542 55.803 -0.038 0.000 0.912 622 Q CB 0.757 29.484 28.738 -0.018 0.000 1.212 622 Q HN 0.508 nan 8.270 nan 0.000 0.452 623 E N 3.701 123.889 120.200 -0.020 0.000 2.149 623 E HA 0.523 4.093 4.350 -1.300 0.000 0.255 623 E C 0.342 176.940 176.600 -0.005 0.000 0.888 623 E CA -0.479 55.910 56.400 -0.017 0.000 0.742 623 E CB 0.908 30.591 29.700 -0.028 0.000 1.164 623 E HN 0.855 nan 8.360 nan 0.000 0.422 624 G N 4.443 113.244 108.800 0.002 0.000 2.574 624 G HA2 -0.362 2.818 3.960 -1.300 0.000 0.286 624 G HA3 -0.362 2.818 3.960 -1.300 0.000 0.286 624 G C 0.310 175.215 174.900 0.009 0.000 1.212 624 G CA 0.346 45.449 45.100 0.006 0.000 0.979 624 G HN 0.648 nan 8.290 nan 0.000 0.557 625 D N 1.262 121.667 120.400 0.009 0.000 2.363 625 D HA 0.059 3.919 4.640 -1.300 0.000 0.226 625 D C 1.151 177.458 176.300 0.012 0.000 1.020 625 D CA 0.792 54.799 54.000 0.011 0.000 0.892 625 D CB 0.249 41.056 40.800 0.011 0.000 0.900 625 D HN 0.333 nan 8.370 nan 0.000 0.531 626 K N 1.009 121.414 120.400 0.009 0.000 2.123 626 K HA 0.286 3.826 4.320 -1.300 0.000 0.259 626 K C -0.419 176.185 176.600 0.007 0.000 0.960 626 K CA -0.396 55.897 56.287 0.010 0.000 0.872 626 K CB 1.473 33.977 32.500 0.007 0.000 1.079 626 K HN -0.144 nan 8.250 nan 0.000 0.440 627 Q N 2.014 121.823 119.800 0.014 0.000 2.345 627 Q HA 0.408 3.968 4.340 -1.300 0.000 0.268 627 Q C -1.029 174.985 176.000 0.024 0.000 1.054 627 Q CA -0.887 54.924 55.803 0.014 0.000 0.835 627 Q CB 2.820 31.572 28.738 0.023 0.000 1.339 627 Q HN 0.435 nan 8.270 nan 0.000 0.447 628 R N 2.088 122.601 120.500 0.022 0.000 2.621 628 R HA 0.534 4.094 4.340 -1.300 0.000 0.284 628 R C -1.362 174.974 176.300 0.060 0.000 0.998 628 R CA -0.444 55.680 56.100 0.040 0.000 0.895 628 R CB 1.524 31.837 30.300 0.022 0.000 1.195 628 R HN 0.613 nan 8.270 nan 0.000 0.450 629 M N 3.570 123.228 119.600 0.096 0.000 2.318 629 M HA 0.380 4.080 4.480 -1.300 0.000 0.347 629 M C -0.988 175.360 176.300 0.080 0.000 1.175 629 M CA -0.973 54.381 55.300 0.090 0.000 1.075 629 M CB 2.111 34.818 32.600 0.179 0.000 1.614 629 M HN 0.343 nan 8.290 nan 0.000 0.456 630 V N 3.833 123.742 119.914 -0.007 0.000 2.448 630 V HA 0.498 3.838 4.120 -1.300 0.000 0.295 630 V C -1.132 174.824 176.094 -0.230 0.000 1.025 630 V CA -0.506 61.824 62.300 0.049 0.000 0.859 630 V CB 1.631 33.641 31.823 0.310 0.000 0.988 630 V HN 0.603 nan 8.190 nan 0.000 0.431 631 F N 4.084 124.016 119.950 -0.030 0.000 2.507 631 F HA 0.627 4.373 4.527 -1.300 0.000 0.325 631 F C 0.337 176.000 175.800 -0.228 0.000 1.116 631 F CA -0.728 57.179 58.000 -0.155 0.000 0.930 631 F CB 2.015 40.895 39.000 -0.200 0.000 1.146 631 F HN 0.159 nan 8.300 nan 0.000 0.447 632 K N 1.794 122.024 120.400 -0.283 0.000 2.413 632 K HA 0.485 4.025 4.320 -1.300 0.000 0.257 632 K C 0.685 177.084 176.600 -0.335 0.000 0.946 632 K CA -0.027 56.023 56.287 -0.395 0.000 0.823 632 K CB 1.535 33.538 32.500 -0.828 0.000 1.109 632 K HN 0.825 nan 8.250 nan 0.000 0.427 633 G N 2.236 110.923 108.800 -0.188 0.000 2.353 633 G HA2 -0.314 2.866 3.960 -1.300 0.000 0.258 633 G HA3 -0.314 2.866 3.960 -1.300 0.000 0.258 633 G C 0.398 175.189 174.900 -0.181 0.000 1.013 633 G CA 0.404 45.413 45.100 -0.153 0.000 0.622 633 G HN 0.466 nan 8.290 nan 0.000 0.535 634 L N 0.124 121.225 121.223 -0.203 0.000 2.474 634 L HA 0.350 3.910 4.340 -1.300 0.000 0.259 634 L C 2.024 178.645 176.870 -0.415 0.000 1.232 634 L CA -0.092 54.580 54.840 -0.280 0.000 0.821 634 L CB 0.219 42.160 42.059 -0.195 0.000 1.108 634 L HN 0.111 nan 8.230 nan 0.000 0.495 635 E N -0.250 119.567 120.200 -0.638 0.000 2.130 635 E HA -0.224 3.346 4.350 -1.300 0.000 0.196 635 E C 1.897 178.190 176.600 -0.510 0.000 0.998 635 E CA 1.775 57.650 56.400 -0.876 0.000 0.806 635 E CB -0.266 28.692 29.700 -1.238 0.000 0.738 635 E HN 0.761 nan 8.360 nan 0.000 0.459 636 T N -0.609 113.619 114.554 -0.542 0.000 3.007 636 T HA -0.075 3.495 4.350 -1.300 0.000 0.270 636 T C 1.308 175.813 174.700 -0.325 0.000 1.107 636 T CA 1.142 62.945 62.100 -0.494 0.000 1.118 636 T CB -0.079 68.271 68.868 -0.863 0.000 0.889 636 T HN 0.116 nan 8.240 nan 0.000 0.506 637 V N -1.328 118.429 119.914 -0.261 0.000 3.121 637 V HA 0.562 3.902 4.120 -1.300 0.000 0.344 637 V C 0.297 176.343 176.094 -0.079 0.000 1.390 637 V CA -0.820 61.400 62.300 -0.134 0.000 1.177 637 V CB -0.797 30.974 31.823 -0.086 0.000 1.163 637 V HN 0.147 nan 8.190 nan 0.000 0.484 638 R N 0.928 121.384 120.500 -0.073 0.000 2.393 638 R HA 0.411 3.971 4.340 -1.300 0.000 0.315 638 R C 1.394 177.766 176.300 0.120 0.000 0.952 638 R CA 0.360 56.481 56.100 0.034 0.000 0.842 638 R CB 1.863 32.193 30.300 0.049 0.000 1.163 638 R HN 0.520 nan 8.270 nan 0.000 0.450 639 T N -2.230 112.391 114.554 0.112 0.000 2.977 639 T HA -0.141 3.429 4.350 -1.300 0.000 0.271 639 T C 0.965 175.753 174.700 0.147 0.000 1.105 639 T CA 1.216 63.383 62.100 0.113 0.000 1.116 639 T CB -0.141 68.786 68.868 0.098 0.000 0.878 639 T HN 0.589 nan 8.240 nan 0.000 0.509 640 D N -1.287 119.236 120.400 0.205 0.000 2.325 640 D HA 0.102 3.962 4.640 -1.300 0.000 0.225 640 D C -0.323 176.094 176.300 0.196 0.000 1.096 640 D CA -0.617 53.494 54.000 0.185 0.000 0.844 640 D CB -0.434 40.447 40.800 0.134 0.000 0.925 640 D HN 0.505 nan 8.370 nan 0.000 0.513 641 W N 1.277 122.609 121.300 0.053 0.000 2.578 641 W HA 0.416 4.296 4.660 -1.300 0.000 0.353 641 W C 0.689 177.162 176.519 -0.077 0.000 1.088 641 W CA -0.844 56.516 57.345 0.025 0.000 1.235 641 W CB 1.224 30.675 29.460 -0.015 0.000 1.362 641 W HN -0.216 nan 8.180 nan 0.000 0.592 642 T N -0.566 113.976 114.554 -0.020 0.000 2.899 642 T HA 0.186 3.756 4.350 -1.300 0.000 0.295 642 T C -1.957 172.733 174.700 -0.017 0.000 1.033 642 T CA -1.240 60.772 62.100 -0.148 0.000 1.084 642 T CB 1.423 70.125 68.868 -0.275 0.000 0.979 642 T HN 0.116 nan 8.240 nan 0.000 0.532 643 P HA -0.026 nan 4.420 nan 0.000 0.218 643 P C 1.691 178.988 177.300 -0.004 0.000 1.149 643 P CA 0.262 63.349 63.100 -0.021 0.000 0.817 643 P CB -0.053 31.627 31.700 -0.033 0.000 0.785 644 L N -0.207 121.003 121.223 -0.021 0.000 2.012 644 L HA -0.183 3.377 4.340 -1.300 0.000 0.210 644 L C 2.191 179.106 176.870 0.074 0.000 1.073 644 L CA 2.375 57.212 54.840 -0.004 0.000 0.748 644 L CB -1.373 40.653 42.059 -0.054 0.000 0.891 644 L HN -0.103 nan 8.230 nan 0.000 0.431 645 A N -1.167 121.721 122.820 0.113 0.000 1.898 645 A HA -0.219 3.321 4.320 -1.300 0.000 0.216 645 A C 2.175 179.827 177.584 0.113 0.000 1.181 645 A CA 1.698 53.857 52.037 0.204 0.000 0.620 645 A CB -0.597 18.625 19.000 0.370 0.000 0.819 645 A HN 0.687 nan 8.150 nan 0.000 0.442 646 Q N -0.956 118.863 119.800 0.032 0.000 2.050 646 Q HA -0.246 3.314 4.340 -1.300 0.000 0.202 646 Q C 2.347 178.278 176.000 -0.115 0.000 0.980 646 Q CA 1.702 57.441 55.803 -0.107 0.000 0.840 646 Q CB -0.215 28.469 28.738 -0.089 0.000 0.898 646 Q HN 0.827 nan 8.270 nan 0.000 0.424 647 Q N -0.103 119.692 119.800 -0.007 0.000 2.079 647 Q HA -0.184 3.376 4.340 -1.300 0.000 0.200 647 Q C 1.891 177.964 176.000 0.123 0.000 0.974 647 Q CA 1.057 56.879 55.803 0.032 0.000 0.840 647 Q CB -0.061 28.720 28.738 0.072 0.000 0.898 647 Q HN 0.304 nan 8.270 nan 0.000 0.430 648 F N 1.445 121.412 119.950 0.029 0.000 2.102 648 F HA -0.232 3.515 4.527 -1.300 0.000 0.298 648 F C 2.343 178.179 175.800 0.060 0.000 1.105 648 F CA 2.135 60.208 58.000 0.122 0.000 1.239 648 F CB -0.490 38.554 39.000 0.073 0.000 0.991 648 F HN 0.151 nan 8.300 nan 0.000 0.474 649 Q N -0.123 119.575 119.800 -0.171 0.000 2.050 649 Q HA -0.250 3.310 4.340 -1.300 0.000 0.202 649 Q C 2.255 178.015 176.000 -0.399 0.000 0.980 649 Q CA 2.044 57.597 55.803 -0.416 0.000 0.840 649 Q CB -0.214 28.183 28.738 -0.568 0.000 0.898 649 Q HN 0.593 nan 8.270 nan 0.000 0.424 650 Q N 0.019 119.605 119.800 -0.357 0.000 2.050 650 Q HA -0.191 3.369 4.340 -1.300 0.000 0.202 650 Q C 1.986 177.949 176.000 -0.062 0.000 0.980 650 Q CA 1.676 57.368 55.803 -0.185 0.000 0.840 650 Q CB 0.002 28.630 28.738 -0.184 0.000 0.898 650 Q HN 0.485 nan 8.270 nan 0.000 0.424 651 E N 0.407 120.545 120.200 -0.104 0.000 2.072 651 E HA -0.184 3.386 4.350 -1.300 0.000 0.191 651 E C 1.988 178.401 176.600 -0.311 0.000 0.985 651 E CA 0.726 57.000 56.400 -0.210 0.000 0.801 651 E CB -0.059 29.493 29.700 -0.247 0.000 0.750 651 E HN 0.156 nan 8.360 nan 0.000 0.452 652 L N 0.127 121.196 121.223 -0.258 0.000 2.027 652 L HA -0.164 3.396 4.340 -1.300 0.000 0.206 652 L C 2.001 178.755 176.870 -0.194 0.000 1.074 652 L CA 1.710 56.408 54.840 -0.237 0.000 0.745 652 L CB -0.591 41.240 42.059 -0.380 0.000 0.898 652 L HN 0.130 nan 8.230 nan 0.000 0.433 653 Y N -1.509 118.554 120.300 -0.394 0.000 2.181 653 Y HA -0.276 3.494 4.550 -1.300 0.000 0.288 653 Y C 2.418 177.964 175.900 -0.590 0.000 1.146 653 Y CA 1.019 58.749 58.100 -0.616 0.000 1.164 653 Y CB -0.152 37.996 38.460 -0.519 0.000 0.982 653 Y HN 0.270 nan 8.280 nan 0.000 0.515 654 L N 0.632 121.813 121.223 -0.069 0.000 2.012 654 L HA -0.217 3.343 4.340 -1.300 0.000 0.210 654 L C 2.229 179.102 176.870 0.005 0.000 1.073 654 L CA 1.692 56.558 54.840 0.044 0.000 0.748 654 L CB -0.590 41.502 42.059 0.055 0.000 0.891 654 L HN 0.044 nan 8.230 nan 0.000 0.431 655 R N -0.641 119.814 120.500 -0.076 0.000 2.070 655 R HA -0.126 3.434 4.340 -1.300 0.000 0.233 655 R C 2.318 178.609 176.300 -0.015 0.000 1.137 655 R CA 2.052 58.130 56.100 -0.037 0.000 0.945 655 R CB -0.487 29.786 30.300 -0.046 0.000 0.845 655 R HN 0.387 nan 8.270 nan 0.000 0.430 656 I N -0.051 120.439 120.570 -0.134 0.000 2.286 656 I HA -0.266 3.124 4.170 -1.300 0.000 0.248 656 I C 1.777 177.885 176.117 -0.016 0.000 1.115 656 I CA 1.024 62.230 61.300 -0.156 0.000 1.392 656 I CB -0.215 37.539 38.000 -0.409 0.000 1.065 656 I HN 0.075 nan 8.210 nan 0.000 0.418 657 F N 1.162 121.059 119.950 -0.089 0.000 2.216 657 F HA -0.137 3.610 4.527 -1.300 0.000 0.300 657 F C 2.358 178.144 175.800 -0.024 0.000 1.085 657 F CA 1.286 59.247 58.000 -0.065 0.000 1.326 657 F CB -0.757 38.212 39.000 -0.052 0.000 1.027 657 F HN -0.009 nan 8.300 nan 0.000 0.497 658 R N 0.087 120.692 120.500 0.174 0.000 2.334 658 R HA 0.065 3.625 4.340 -1.300 0.000 0.220 658 R C 0.243 176.593 176.300 0.083 0.000 0.917 658 R CA 0.147 56.312 56.100 0.108 0.000 1.073 658 R CB -0.247 30.103 30.300 0.083 0.000 1.056 658 R HN 0.180 nan 8.270 nan 0.000 0.506 659 N N 1.158 119.911 118.700 0.087 0.000 2.741 659 N HA -0.190 3.770 4.740 -1.300 0.000 0.251 659 N C -0.856 174.703 175.510 0.081 0.000 1.112 659 N CA 1.158 54.256 53.050 0.080 0.000 0.750 659 N CB -0.748 37.780 38.487 0.069 0.000 1.119 659 N HN 0.492 nan 8.380 nan 0.000 0.561 660 E N 0.583 120.833 120.200 0.083 0.000 2.345 660 E HA 0.348 3.918 4.350 -1.300 0.000 0.259 660 E C -2.197 174.470 176.600 0.111 0.000 1.117 660 E CA -1.460 54.985 56.400 0.075 0.000 0.913 660 E CB 0.450 30.181 29.700 0.052 0.000 1.057 660 E HN 0.023 nan 8.360 nan 0.000 0.432 661 P HA -0.025 nan 4.420 nan 0.000 0.271 661 P C -0.810 176.523 177.300 0.054 0.000 1.218 661 P CA 0.444 63.537 63.100 -0.011 0.000 0.780 661 P CB 0.160 31.837 31.700 -0.038 0.000 0.901 662 Y N -0.951 119.379 120.300 0.049 0.000 2.515 662 Y HA 0.307 4.078 4.550 -1.300 0.000 0.267 662 Y C 1.676 177.670 175.900 0.156 0.000 1.058 662 Y CA -0.144 58.015 58.100 0.099 0.000 1.231 662 Y CB -0.618 37.877 38.460 0.058 0.000 1.350 662 Y HN 0.127 nan 8.280 nan 0.000 0.554 663 Q N 1.198 120.711 119.800 -0.479 0.000 2.061 663 Q HA -0.217 3.343 4.340 -1.300 0.000 0.204 663 Q C 1.736 177.732 176.000 -0.007 0.000 0.984 663 Q CA 2.166 57.845 55.803 -0.207 0.000 0.846 663 Q CB -0.043 28.517 28.738 -0.295 0.000 0.902 663 Q HN 0.450 nan 8.270 nan 0.000 0.421 664 E N 0.218 120.414 120.200 -0.008 0.000 2.110 664 E HA -0.206 3.364 4.350 -1.300 0.000 0.193 664 E C 1.604 178.259 176.600 0.092 0.000 0.988 664 E CA 1.067 57.483 56.400 0.027 0.000 0.804 664 E CB -0.312 29.401 29.700 0.021 0.000 0.745 664 E HN 0.439 nan 8.360 nan 0.000 0.458 665 Y N -0.224 120.117 120.300 0.068 0.000 2.181 665 Y HA -0.167 3.603 4.550 -1.300 0.000 0.288 665 Y C 1.952 177.971 175.900 0.197 0.000 1.146 665 Y CA 1.667 59.841 58.100 0.123 0.000 1.164 665 Y CB -0.301 38.244 38.460 0.143 0.000 0.982 665 Y HN -0.050 nan 8.280 nan 0.000 0.515 666 V N 1.105 121.143 119.914 0.207 0.000 2.307 666 V HA -0.292 3.048 4.120 -1.300 0.000 0.245 666 V C 2.433 178.541 176.094 0.023 0.000 1.045 666 V CA 2.288 64.727 62.300 0.232 0.000 1.024 666 V CB -0.607 31.474 31.823 0.430 0.000 0.651 666 V HN 0.353 nan 8.190 nan 0.000 0.449 667 R N -0.098 120.401 120.500 -0.002 0.000 2.073 667 R HA -0.225 3.335 4.340 -1.300 0.000 0.234 667 R C 2.357 178.597 176.300 -0.099 0.000 1.134 667 R CA 1.836 57.896 56.100 -0.066 0.000 0.952 667 R CB -0.341 29.922 30.300 -0.060 0.000 0.850 667 R HN 0.489 nan 8.270 nan 0.000 0.433 668 E N 0.106 120.245 120.200 -0.101 0.000 2.110 668 E HA -0.126 3.444 4.350 -1.300 0.000 0.193 668 E C 1.694 178.190 176.600 -0.173 0.000 0.988 668 E CA 1.662 57.994 56.400 -0.114 0.000 0.804 668 E CB -0.014 29.639 29.700 -0.078 0.000 0.745 668 E HN 0.163 nan 8.360 nan 0.000 0.458 669 T N 0.357 114.750 114.554 -0.268 0.000 2.708 669 T HA -0.102 3.468 4.350 -1.300 0.000 0.266 669 T C 1.846 176.398 174.700 -0.247 0.000 1.037 669 T CA 1.404 63.318 62.100 -0.310 0.000 1.146 669 T CB -0.241 68.352 68.868 -0.457 0.000 0.865 669 T HN 0.155 nan 8.240 nan 0.000 0.435 670 I N 0.944 121.390 120.570 -0.207 0.000 2.179 670 I HA -0.178 3.212 4.170 -1.300 0.000 0.242 670 I C 2.459 178.488 176.117 -0.147 0.000 1.088 670 I CA 1.330 62.536 61.300 -0.156 0.000 1.357 670 I CB -0.322 37.610 38.000 -0.114 0.000 1.051 670 I HN 0.171 nan 8.210 nan 0.000 0.409 671 D N 0.971 121.288 120.400 -0.139 0.000 2.097 671 D HA -0.182 3.678 4.640 -1.300 0.000 0.195 671 D C 2.181 178.392 176.300 -0.148 0.000 0.989 671 D CA 1.434 55.356 54.000 -0.129 0.000 0.827 671 D CB 0.079 40.815 40.800 -0.108 0.000 0.966 671 D HN 0.155 nan 8.370 nan 0.000 0.456 672 K N -0.421 119.887 120.400 -0.152 0.000 2.097 672 K HA -0.110 3.430 4.320 -1.300 0.000 0.206 672 K C 2.021 178.488 176.600 -0.221 0.000 1.049 672 K CA 0.674 56.865 56.287 -0.160 0.000 0.933 672 K CB -0.179 32.242 32.500 -0.133 0.000 0.717 672 K HN 0.130 nan 8.250 nan 0.000 0.442 673 L N 0.721 121.804 121.223 -0.234 0.000 1.994 673 L HA -0.150 3.410 4.340 -1.300 0.000 0.208 673 L C 1.921 178.491 176.870 -0.502 0.000 1.071 673 L CA 1.780 56.442 54.840 -0.297 0.000 0.745 673 L CB -0.314 41.629 42.059 -0.193 0.000 0.892 673 L HN 0.122 nan 8.230 nan 0.000 0.431 674 M N -0.258 119.142 119.600 -0.333 0.000 2.460 674 M HA 0.026 3.726 4.480 -1.300 0.000 0.263 674 M C 1.983 178.068 176.300 -0.359 0.000 1.071 674 M CA 1.237 56.349 55.300 -0.315 0.000 1.096 674 M CB -1.754 30.771 32.600 -0.125 0.000 1.408 674 M HN 0.488 nan 8.290 nan 0.000 0.463 675 A N -0.568 122.061 122.820 -0.318 0.000 2.337 675 A HA 0.486 4.026 4.320 -1.300 0.000 0.227 675 A C 1.512 178.938 177.584 -0.263 0.000 1.259 675 A CA 0.509 52.413 52.037 -0.222 0.000 0.870 675 A CB -0.855 18.058 19.000 -0.145 0.000 0.927 675 A HN 0.601 nan 8.150 nan 0.000 0.497 676 G N -0.087 108.392 108.800 -0.534 0.000 2.249 676 G HA2 -0.277 2.903 3.960 -1.300 0.000 0.273 676 G HA3 -0.277 2.903 3.960 -1.300 0.000 0.273 676 G C 0.334 175.134 174.900 -0.167 0.000 1.036 676 G CA 0.721 45.588 45.100 -0.388 0.000 0.824 676 G HN 0.654 nan 8.290 nan 0.000 0.504 677 E N -1.121 118.963 120.200 -0.192 0.000 2.476 677 E HA 0.268 3.838 4.350 -1.300 0.000 0.199 677 E C 1.784 178.324 176.600 -0.100 0.000 1.021 677 E CA -0.026 56.306 56.400 -0.113 0.000 0.907 677 E CB 0.268 29.904 29.700 -0.106 0.000 0.974 677 E HN 0.570 nan 8.360 nan 0.000 0.489 678 L N 0.944 122.088 121.223 -0.131 0.000 3.017 678 L HA 0.165 3.725 4.340 -1.300 0.000 0.255 678 L C 0.478 177.292 176.870 -0.094 0.000 1.247 678 L CA -0.267 54.508 54.840 -0.108 0.000 1.038 678 L CB 0.399 42.377 42.059 -0.135 0.000 1.380 678 L HN -0.079 nan 8.230 nan 0.000 0.548 679 D N 1.652 122.022 120.400 -0.050 0.000 2.182 679 D HA -0.182 3.678 4.640 -1.300 0.000 0.201 679 D C 2.183 178.446 176.300 -0.061 0.000 0.986 679 D CA 1.409 55.393 54.000 -0.027 0.000 0.847 679 D CB 0.254 41.072 40.800 0.030 0.000 0.942 679 D HN 0.371 nan 8.370 nan 0.000 0.467 680 A N 0.275 123.065 122.820 -0.050 0.000 2.172 680 A HA -0.102 3.438 4.320 -1.300 0.000 0.216 680 A C 1.847 179.393 177.584 -0.064 0.000 1.154 680 A CA 0.745 52.755 52.037 -0.045 0.000 0.701 680 A CB -0.219 18.763 19.000 -0.029 0.000 0.789 680 A HN 0.143 nan 8.150 nan 0.000 0.465 681 R N -0.617 119.828 120.500 -0.092 0.000 2.334 681 R HA 0.280 3.840 4.340 -1.300 0.000 0.216 681 R C 0.396 176.597 176.300 -0.165 0.000 0.905 681 R CA 0.041 56.079 56.100 -0.103 0.000 1.064 681 R CB 0.012 30.259 30.300 -0.088 0.000 1.046 681 R HN 0.461 nan 8.270 nan 0.000 0.508 682 L N 0.787 121.876 121.223 -0.224 0.000 2.653 682 L HA 0.215 3.775 4.340 -1.300 0.000 0.231 682 L C 0.070 176.840 176.870 -0.167 0.000 1.153 682 L CA -0.184 54.450 54.840 -0.343 0.000 0.933 682 L CB 0.424 42.021 42.059 -0.770 0.000 1.175 682 L HN -0.148 nan 8.230 nan 0.000 0.473 683 V N -0.071 119.760 119.914 -0.137 0.000 2.488 683 V HA 0.085 3.425 4.120 -1.300 0.000 0.277 683 V C -0.157 175.810 176.094 -0.212 0.000 1.046 683 V CA -0.304 61.933 62.300 -0.105 0.000 0.986 683 V CB 0.221 32.011 31.823 -0.054 0.000 0.989 683 V HN 0.046 nan 8.190 nan 0.000 0.475 684 Y N 4.049 124.181 120.300 -0.279 0.000 2.310 684 Y HA 0.596 4.366 4.550 -1.300 0.000 0.326 684 Y C 0.571 176.243 175.900 -0.380 0.000 1.151 684 Y CA -0.313 57.519 58.100 -0.447 0.000 1.195 684 Y CB 1.101 38.940 38.460 -1.036 0.000 1.210 684 Y HN 0.517 nan 8.280 nan 0.000 0.483 685 R N 3.441 123.939 120.500 -0.003 0.000 2.502 685 R HA 0.511 4.071 4.340 -1.300 0.000 0.300 685 R C -1.669 174.708 176.300 0.128 0.000 0.984 685 R CA -0.760 55.383 56.100 0.071 0.000 0.882 685 R CB 1.079 31.420 30.300 0.068 0.000 1.180 685 R HN 0.779 nan 8.270 nan 0.000 0.444 686 K N 2.868 123.382 120.400 0.189 0.000 2.527 686 K HA 0.397 3.937 4.320 -1.300 0.000 0.260 686 K C -1.018 175.693 176.600 0.184 0.000 0.937 686 K CA -0.851 55.520 56.287 0.139 0.000 0.826 686 K CB 1.837 34.361 32.500 0.039 0.000 1.359 686 K HN 0.512 nan 8.250 nan 0.000 0.434 687 R N 2.457 123.046 120.500 0.148 0.000 2.441 687 R HA 0.288 3.848 4.340 -1.300 0.000 0.284 687 R C -0.439 176.039 176.300 0.295 0.000 1.070 687 R CA -0.397 55.822 56.100 0.198 0.000 1.047 687 R CB 0.486 30.880 30.300 0.156 0.000 1.016 687 R HN 0.400 nan 8.270 nan 0.000 0.477 688 L N 4.567 125.960 121.223 0.283 0.000 2.270 688 L HA 0.306 3.866 4.340 -1.300 0.000 0.286 688 L C 1.352 178.383 176.870 0.269 0.000 1.059 688 L CA -0.110 54.910 54.840 0.300 0.000 0.839 688 L CB 0.884 43.072 42.059 0.215 0.000 1.221 688 L HN 0.496 nan 8.230 nan 0.000 0.431 689 R N 2.270 122.947 120.500 0.295 0.000 2.297 689 R HA 0.160 3.720 4.340 -1.300 0.000 0.197 689 R C 0.071 176.435 176.300 0.107 0.000 0.943 689 R CA 0.255 56.462 56.100 0.179 0.000 1.038 689 R CB 0.165 30.559 30.300 0.156 0.000 0.957 689 R HN 0.550 nan 8.270 nan 0.000 0.484 690 R N 0.503 121.073 120.500 0.117 0.000 2.807 690 R HA 0.386 3.946 4.340 -1.300 0.000 0.276 690 R C -2.814 173.500 176.300 0.024 0.000 0.979 690 R CA -2.318 53.729 56.100 -0.087 0.000 0.928 690 R CB 1.355 31.325 30.300 -0.550 0.000 1.191 690 R HN -0.202 nan 8.270 nan 0.000 0.471 691 P HA 0.007 nan 4.420 nan 0.000 0.271 691 P C 0.474 177.827 177.300 0.088 0.000 1.218 691 P CA -0.234 62.893 63.100 0.044 0.000 0.780 691 P CB 0.587 32.289 31.700 0.004 0.000 0.901 692 L N 3.128 124.445 121.223 0.156 0.000 2.127 692 L HA -0.215 3.345 4.340 -1.300 0.000 0.211 692 L C 2.035 179.016 176.870 0.186 0.000 1.089 692 L CA 2.280 57.252 54.840 0.221 0.000 0.757 692 L CB -1.197 40.941 42.059 0.131 0.000 0.899 692 L HN 0.401 nan 8.230 nan 0.000 0.434 693 S N -2.031 113.719 115.700 0.082 0.000 2.522 693 S HA -0.078 3.612 4.470 -1.300 0.000 0.227 693 S C 1.484 176.093 174.600 0.015 0.000 0.986 693 S CA 0.538 58.767 58.200 0.048 0.000 0.929 693 S CB -0.472 62.740 63.200 0.021 0.000 0.769 693 S HN 0.587 nan 8.310 nan 0.000 0.529 694 E N 0.085 120.254 120.200 -0.052 0.000 2.502 694 E HA 0.030 3.600 4.350 -1.300 0.000 0.194 694 E C -0.783 175.684 176.600 -0.223 0.000 1.062 694 E CA 0.080 56.386 56.400 -0.157 0.000 0.867 694 E CB -0.069 29.494 29.700 -0.229 0.000 0.888 694 E HN 0.693 nan 8.360 nan 0.000 0.510 695 Y N 1.529 121.815 120.300 -0.024 0.000 2.556 695 Y HA 0.086 3.856 4.550 -1.300 0.000 0.352 695 Y C 1.414 177.298 175.900 -0.027 0.000 1.006 695 Y CA 0.100 58.183 58.100 -0.028 0.000 1.277 695 Y CB 0.492 38.920 38.460 -0.053 0.000 1.136 695 Y HN -0.048 nan 8.280 nan 0.000 0.523 696 Q N 1.476 121.317 119.800 0.069 0.000 2.353 696 Q HA 0.103 3.663 4.340 -1.300 0.000 0.240 696 Q C 1.666 177.690 176.000 0.039 0.000 0.868 696 Q CA 0.098 55.926 55.803 0.042 0.000 0.944 696 Q CB 0.447 29.191 28.738 0.011 0.000 1.104 696 Q HN 0.685 nan 8.270 nan 0.000 0.531 697 R N 1.376 121.906 120.500 0.049 0.000 2.115 697 R HA -0.034 3.526 4.340 -1.300 0.000 0.226 697 R C 0.448 176.772 176.300 0.041 0.000 1.100 697 R CA 1.249 57.373 56.100 0.041 0.000 0.980 697 R CB 0.055 30.380 30.300 0.042 0.000 0.875 697 R HN 0.266 nan 8.270 nan 0.000 0.445 698 N N -2.234 116.498 118.700 0.054 0.000 3.227 698 N HA 0.069 4.029 4.740 -1.300 0.000 0.241 698 N C -1.623 173.896 175.510 0.016 0.000 1.480 698 N CA -0.829 52.239 53.050 0.030 0.000 0.886 698 N CB 1.222 39.729 38.487 0.033 0.000 1.406 698 N HN -0.223 nan 8.380 nan 0.000 0.514 699 V N 0.346 120.242 119.914 -0.030 0.000 2.349 699 V HA 0.536 3.876 4.120 -1.300 0.000 0.284 699 V C -2.300 173.721 176.094 -0.122 0.000 1.014 699 V CA -1.124 61.116 62.300 -0.100 0.000 0.826 699 V CB 0.839 32.589 31.823 -0.122 0.000 1.009 699 V HN 0.653 nan 8.190 nan 0.000 0.431 700 P HA 0.255 nan 4.420 nan 0.000 0.272 700 P C -1.921 175.275 177.300 -0.173 0.000 1.230 700 P CA -1.481 61.572 63.100 -0.078 0.000 0.788 700 P CB 0.359 32.084 31.700 0.042 0.000 0.949 701 P HA -0.231 nan 4.420 nan 0.000 0.215 701 P C 1.380 178.325 177.300 -0.591 0.000 1.153 701 P CA 1.821 64.722 63.100 -0.331 0.000 0.853 701 P CB -0.503 31.093 31.700 -0.173 0.000 0.788 702 H N -0.397 118.246 119.070 -0.711 0.000 2.389 702 H HA -0.009 3.767 4.556 -1.300 0.000 0.299 702 H C 1.725 176.718 175.328 -0.558 0.000 1.081 702 H CA 0.948 56.499 56.048 -0.828 0.000 1.345 702 H CB -1.559 27.971 29.762 -0.387 0.000 1.393 702 H HN -0.056 nan 8.280 nan 0.000 0.520 703 V N 1.497 120.821 119.914 -0.983 0.000 2.427 703 V HA -0.210 3.130 4.120 -1.300 0.000 0.248 703 V C 3.067 178.854 176.094 -0.511 0.000 1.051 703 V CA 1.998 63.792 62.300 -0.842 0.000 1.048 703 V CB -0.726 30.517 31.823 -0.967 0.000 0.666 703 V HN 0.345 nan 8.190 nan 0.000 0.456 704 R N 0.323 120.553 120.500 -0.450 0.000 2.073 704 R HA -0.150 3.410 4.340 -1.300 0.000 0.234 704 R C 2.303 178.400 176.300 -0.338 0.000 1.134 704 R CA 1.695 57.589 56.100 -0.344 0.000 0.952 704 R CB -0.470 29.628 30.300 -0.336 0.000 0.850 704 R HN 0.468 nan 8.270 nan 0.000 0.433 705 A N 0.576 123.139 122.820 -0.429 0.000 1.933 705 A HA -0.089 3.451 4.320 -1.300 0.000 0.218 705 A C 2.319 179.719 177.584 -0.307 0.000 1.175 705 A CA 1.638 53.463 52.037 -0.353 0.000 0.628 705 A CB -0.700 18.047 19.000 -0.422 0.000 0.814 705 A HN 0.554 nan 8.150 nan 0.000 0.444 706 A N -0.241 122.341 122.820 -0.396 0.000 1.898 706 A HA -0.130 3.410 4.320 -1.300 0.000 0.216 706 A C 2.246 179.736 177.584 -0.158 0.000 1.181 706 A CA 1.432 53.217 52.037 -0.421 0.000 0.620 706 A CB -0.426 18.329 19.000 -0.409 0.000 0.819 706 A HN 0.539 nan 8.150 nan 0.000 0.442 707 R N -0.602 119.802 120.500 -0.160 0.000 2.075 707 R HA -0.006 3.554 4.340 -1.300 0.000 0.232 707 R C 2.050 178.311 176.300 -0.064 0.000 1.126 707 R CA 1.343 57.392 56.100 -0.085 0.000 0.963 707 R CB -0.486 29.745 30.300 -0.115 0.000 0.858 707 R HN 0.493 nan 8.270 nan 0.000 0.435 708 L N 0.075 121.238 121.223 -0.099 0.000 2.046 708 L HA -0.169 3.391 4.340 -1.300 0.000 0.208 708 L C 2.670 179.525 176.870 -0.024 0.000 1.077 708 L CA 1.239 56.033 54.840 -0.077 0.000 0.747 708 L CB -0.565 41.435 42.059 -0.098 0.000 0.896 708 L HN 0.262 nan 8.230 nan 0.000 0.432 709 A N -0.336 122.510 122.820 0.045 0.000 1.877 709 A HA -0.237 3.303 4.320 -1.300 0.000 0.216 709 A C 1.955 179.667 177.584 0.213 0.000 1.186 709 A CA 2.010 54.188 52.037 0.235 0.000 0.620 709 A CB -0.508 18.681 19.000 0.315 0.000 0.822 709 A HN 0.324 nan 8.150 nan 0.000 0.443 710 D N -0.466 120.055 120.400 0.202 0.000 2.183 710 D HA -0.074 3.786 4.640 -1.300 0.000 0.203 710 D C 1.966 178.285 176.300 0.033 0.000 0.969 710 D CA 1.026 55.117 54.000 0.150 0.000 0.842 710 D CB -0.238 40.662 40.800 0.165 0.000 0.957 710 D HN 0.641 nan 8.370 nan 0.000 0.484 711 E N 0.290 120.481 120.200 -0.015 0.000 2.106 711 E HA -0.186 3.384 4.350 -1.300 0.000 0.192 711 E C 1.792 178.321 176.600 -0.118 0.000 0.984 711 E CA 0.741 57.107 56.400 -0.057 0.000 0.806 711 E CB 0.084 29.745 29.700 -0.066 0.000 0.750 711 E HN 0.119 nan 8.360 nan 0.000 0.458 712 E N 1.431 121.510 120.200 -0.203 0.000 2.106 712 E HA -0.151 3.419 4.350 -1.300 0.000 0.192 712 E C 1.461 177.830 176.600 -0.385 0.000 0.984 712 E CA 1.378 57.525 56.400 -0.421 0.000 0.806 712 E CB -0.163 29.021 29.700 -0.860 0.000 0.750 712 E HN 0.214 nan 8.360 nan 0.000 0.458 713 N N -0.324 118.257 118.700 -0.199 0.000 2.120 713 N HA -0.196 3.764 4.740 -1.300 0.000 0.188 713 N C 1.796 177.290 175.510 -0.027 0.000 1.024 713 N CA 1.183 54.221 53.050 -0.019 0.000 0.852 713 N CB -0.112 38.450 38.487 0.124 0.000 1.003 713 N HN 0.207 nan 8.380 nan 0.000 0.424 714 Q N 0.950 120.728 119.800 -0.036 0.000 2.124 714 Q HA -0.105 3.455 4.340 -1.300 0.000 0.202 714 Q C 1.320 177.291 176.000 -0.048 0.000 0.977 714 Q CA 1.342 57.129 55.803 -0.027 0.000 0.850 714 Q CB 0.205 28.929 28.738 -0.024 0.000 0.901 714 Q HN 0.261 nan 8.270 nan 0.000 0.429 715 K N -0.486 119.864 120.400 -0.083 0.000 2.365 715 K HA -0.064 3.476 4.320 -1.300 0.000 0.199 715 K C 1.421 177.974 176.600 -0.079 0.000 1.045 715 K CA 0.751 56.988 56.287 -0.083 0.000 0.962 715 K CB 0.196 32.632 32.500 -0.108 0.000 0.759 715 K HN 0.032 nan 8.250 nan 0.000 0.469 716 R N -0.582 119.866 120.500 -0.086 0.000 2.432 716 R HA 0.103 3.663 4.340 -1.300 0.000 0.260 716 R C 0.462 176.729 176.300 -0.056 0.000 0.935 716 R CA 0.339 56.394 56.100 -0.074 0.000 1.080 716 R CB 0.966 31.217 30.300 -0.082 0.000 1.155 716 R HN 0.261 nan 8.270 nan 0.000 0.531 717 G N 1.773 110.554 108.800 -0.033 0.000 2.179 717 G HA2 -0.350 2.830 3.960 -1.300 0.000 0.257 717 G HA3 -0.350 2.830 3.960 -1.300 0.000 0.257 717 G C -0.103 174.806 174.900 0.015 0.000 1.010 717 G CA 0.192 45.287 45.100 -0.009 0.000 0.736 717 G HN 0.263 nan 8.290 nan 0.000 0.513 718 R N 0.498 121.016 120.500 0.030 0.000 2.598 718 R HA 0.493 4.053 4.340 -1.300 0.000 0.279 718 R C -2.206 174.195 176.300 0.169 0.000 0.984 718 R CA -1.894 54.276 56.100 0.115 0.000 0.999 718 R CB 1.164 31.533 30.300 0.115 0.000 1.114 718 R HN 0.092 nan 8.270 nan 0.000 0.493 719 P HA -0.010 nan 4.420 nan 0.000 0.268 719 P C -0.553 176.812 177.300 0.107 0.000 1.204 719 P CA -0.263 62.928 63.100 0.152 0.000 0.768 719 P CB 0.447 32.230 31.700 0.137 0.000 0.842 720 L N 3.105 124.362 121.223 0.057 0.000 2.483 720 L HA -0.006 3.554 4.340 -1.300 0.000 0.276 720 L C 1.855 178.694 176.870 -0.051 0.000 1.213 720 L CA 1.181 56.038 54.840 0.029 0.000 0.843 720 L CB -0.578 41.498 42.059 0.029 0.000 1.107 720 L HN 0.473 nan 8.230 nan 0.000 0.487 721 Q N 1.270 120.970 119.800 -0.167 0.000 2.369 721 Q HA 0.115 3.675 4.340 -1.300 0.000 0.254 721 Q C 0.017 175.634 176.000 -0.638 0.000 0.858 721 Q CA 0.389 55.897 55.803 -0.492 0.000 0.961 721 Q CB 0.568 28.788 28.738 -0.864 0.000 1.119 721 Q HN 0.648 nan 8.270 nan 0.000 0.538 722 Y N 0.044 120.378 120.300 0.056 0.000 2.636 722 Y HA 0.189 3.959 4.550 -1.300 0.000 0.260 722 Y C 1.585 177.510 175.900 0.042 0.000 1.177 722 Y CA -0.292 57.836 58.100 0.047 0.000 1.209 722 Y CB 0.700 39.181 38.460 0.035 0.000 1.166 722 Y HN -0.022 nan 8.280 nan 0.000 0.531 723 Q N 0.460 120.320 119.800 0.101 0.000 2.079 723 Q HA -0.098 3.462 4.340 -1.300 0.000 0.200 723 Q C 0.406 176.452 176.000 0.076 0.000 0.974 723 Q CA 1.149 57.001 55.803 0.081 0.000 0.840 723 Q CB -0.037 28.727 28.738 0.043 0.000 0.898 723 Q HN 0.264 nan 8.270 nan 0.000 0.430 724 N N 0.238 118.975 118.700 0.062 0.000 2.813 724 N HA 0.179 4.139 4.740 -1.300 0.000 0.282 724 N C -1.267 174.283 175.510 0.065 0.000 1.748 724 N CA -0.075 53.006 53.050 0.053 0.000 0.860 724 N CB 0.171 38.672 38.487 0.024 0.000 1.204 724 N HN 0.118 nan 8.380 nan 0.000 0.490 725 R N -0.959 119.607 120.500 0.109 0.000 3.976 725 R HA 0.059 3.619 4.340 -1.300 0.000 0.448 725 R C -0.033 176.351 176.300 0.140 0.000 0.289 725 R CA 0.676 56.852 56.100 0.126 0.000 1.411 725 R CB -1.223 29.128 30.300 0.084 0.000 1.199 725 R HN 0.642 nan 8.270 nan 0.000 0.493 726 G N -0.366 108.531 108.800 0.162 0.000 2.346 726 G HA2 0.190 3.370 3.960 -1.300 0.000 0.294 726 G HA3 0.190 3.370 3.960 -1.300 0.000 0.294 726 G C -1.448 173.587 174.900 0.225 0.000 1.294 726 G CA -0.357 44.849 45.100 0.176 0.000 0.962 726 G HN 0.613 nan 8.290 nan 0.000 0.508 727 T N 0.247 114.947 114.554 0.244 0.000 2.829 727 T HA 0.615 4.185 4.350 -1.300 0.000 0.280 727 T C -0.681 174.184 174.700 0.274 0.000 0.999 727 T CA -0.154 62.087 62.100 0.235 0.000 0.983 727 T CB 1.723 70.705 68.868 0.190 0.000 0.968 727 T HN 0.925 nan 8.240 nan 0.000 0.446 728 I N 2.747 123.440 120.570 0.204 0.000 2.433 728 I HA 0.453 3.843 4.170 -1.300 0.000 0.292 728 I C -0.722 175.516 176.117 0.202 0.000 1.001 728 I CA -0.729 60.629 61.300 0.097 0.000 1.119 728 I CB 1.075 38.980 38.000 -0.158 0.000 1.289 728 I HN 0.418 nan 8.210 nan 0.000 0.438 729 K N 7.675 128.172 120.400 0.161 0.000 2.185 729 K HA 0.515 4.055 4.320 -1.300 0.000 0.269 729 K C -1.576 175.142 176.600 0.198 0.000 0.987 729 K CA -0.483 55.888 56.287 0.140 0.000 0.865 729 K CB 1.424 33.980 32.500 0.092 0.000 1.090 729 K HN 0.629 nan 8.250 nan 0.000 0.450 730 Y N -1.347 119.006 120.300 0.090 0.000 2.625 730 Y HA 0.657 4.427 4.550 -1.300 0.000 0.338 730 Y C -0.963 175.056 175.900 0.199 0.000 1.123 730 Y CA -1.467 56.675 58.100 0.070 0.000 1.046 730 Y CB 0.888 39.336 38.460 -0.020 0.000 1.299 730 Y HN 0.247 nan 8.280 nan 0.000 0.464 731 V N -2.405 117.680 119.914 0.284 0.000 3.102 731 V HA 0.533 3.873 4.120 -1.300 0.000 0.312 731 V C -1.417 174.876 176.094 0.331 0.000 1.135 731 V CA -1.019 61.487 62.300 0.344 0.000 1.022 731 V CB 2.503 34.462 31.823 0.226 0.000 1.056 731 V HN 1.019 nan 8.190 nan 0.000 0.436 732 W N 3.525 124.962 121.300 0.228 0.000 2.308 732 W HA 0.595 4.475 4.660 -1.300 0.000 0.311 732 W C 0.210 176.712 176.519 -0.027 0.000 1.088 732 W CA 0.376 57.661 57.345 -0.099 0.000 1.309 732 W CB 1.613 30.641 29.460 -0.721 0.000 1.229 732 W HN 1.058 nan 8.180 nan 0.000 0.427 733 T N 0.319 114.799 114.554 -0.123 0.000 2.884 733 T HA 0.205 3.775 4.350 -1.300 0.000 0.277 733 T C 1.439 176.139 174.700 -0.001 0.000 0.976 733 T CA 0.166 62.244 62.100 -0.037 0.000 0.956 733 T CB 1.412 70.226 68.868 -0.090 0.000 1.113 733 T HN 0.380 nan 8.240 nan 0.000 0.554 734 T N -0.978 113.579 114.554 0.006 0.000 3.051 734 T HA -0.002 3.568 4.350 -1.300 0.000 0.269 734 T C 1.017 175.715 174.700 -0.003 0.000 1.127 734 T CA 0.554 62.674 62.100 0.033 0.000 1.107 734 T CB -0.417 68.462 68.868 0.019 0.000 0.898 734 T HN 0.598 nan 8.240 nan 0.000 0.517 735 N N 1.462 120.119 118.700 -0.071 0.000 2.328 735 N HA 0.384 4.344 4.740 -1.300 0.000 0.247 735 N C 0.843 176.222 175.510 -0.219 0.000 1.165 735 N CA 0.603 53.590 53.050 -0.105 0.000 0.873 735 N CB 0.840 39.271 38.487 -0.093 0.000 1.125 735 N HN 0.708 nan 8.380 nan 0.000 0.513 736 G N 1.794 110.385 108.800 -0.348 0.000 2.685 736 G HA2 -0.191 2.989 3.960 -1.300 0.000 0.387 736 G HA3 -0.191 2.989 3.960 -1.300 0.000 0.387 736 G C -3.028 171.219 174.900 -1.088 0.000 1.324 736 G CA -1.059 43.575 45.100 -0.777 0.000 0.878 736 G HN 0.033 nan 8.290 nan 0.000 0.527 737 P HA 0.310 nan 4.420 nan 0.000 0.267 737 P C -0.450 176.577 177.300 -0.456 0.000 1.205 737 P CA 0.689 63.246 63.100 -0.905 0.000 0.765 737 P CB 0.903 32.031 31.700 -0.954 0.000 0.828 738 E N 3.906 123.976 120.200 -0.215 0.000 2.293 738 E HA 0.365 3.935 4.350 -1.300 0.000 0.270 738 E C -2.474 174.135 176.600 0.015 0.000 0.879 738 E CA -2.620 53.715 56.400 -0.109 0.000 0.756 738 E CB 2.175 31.828 29.700 -0.077 0.000 1.208 738 E HN 0.367 nan 8.360 nan 0.000 0.428 739 P HA -0.037 nan 4.420 nan 0.000 0.268 739 P C 0.566 177.916 177.300 0.083 0.000 1.205 739 P CA -0.125 63.020 63.100 0.074 0.000 0.771 739 P CB 0.947 32.698 31.700 0.085 0.000 0.858 740 L N 3.180 124.451 121.223 0.080 0.000 2.042 740 L HA -0.178 3.382 4.340 -1.300 0.000 0.210 740 L C 1.636 178.500 176.870 -0.009 0.000 1.076 740 L CA 2.107 56.974 54.840 0.045 0.000 0.749 740 L CB -1.058 41.028 42.059 0.044 0.000 0.893 740 L HN 0.210 nan 8.230 nan 0.000 0.432 741 D N -1.068 119.293 120.400 -0.065 0.000 2.178 741 D HA -0.178 3.682 4.640 -1.300 0.000 0.201 741 D C 0.318 176.375 176.300 -0.405 0.000 0.980 741 D CA 1.481 55.317 54.000 -0.274 0.000 0.842 741 D CB -0.049 40.514 40.800 -0.395 0.000 0.948 741 D HN 0.446 nan 8.370 nan 0.000 0.472 742 Y N 0.434 120.762 120.300 0.048 0.000 2.480 742 Y HA 0.239 4.009 4.550 -1.300 0.000 0.356 742 Y C 0.193 176.095 175.900 0.004 0.000 0.922 742 Y CA -0.693 57.421 58.100 0.023 0.000 1.146 742 Y CB 0.017 38.490 38.460 0.022 0.000 1.185 742 Y HN -0.209 nan 8.280 nan 0.000 0.624 743 Q N 1.840 121.704 119.800 0.108 0.000 2.293 743 Q HA 0.191 3.751 4.340 -1.300 0.000 0.263 743 Q C 0.634 176.664 176.000 0.050 0.000 1.002 743 Q CA -0.056 55.784 55.803 0.061 0.000 0.910 743 Q CB 0.823 29.584 28.738 0.039 0.000 1.185 743 Q HN 0.465 nan 8.270 nan 0.000 0.401 744 R N 1.599 122.115 120.500 0.027 0.000 2.142 744 R HA 0.191 3.751 4.340 -1.300 0.000 0.204 744 R C 0.373 176.671 176.300 -0.003 0.000 1.059 744 R CA 0.314 56.421 56.100 0.012 0.000 1.055 744 R CB 0.142 30.441 30.300 -0.001 0.000 0.976 744 R HN 0.462 nan 8.270 nan 0.000 0.483 745 S N 2.850 118.539 115.700 -0.018 0.000 2.652 745 S HA 0.383 4.073 4.470 -1.300 0.000 0.270 745 S C -2.363 172.224 174.600 -0.022 0.000 1.243 745 S CA -1.134 57.052 58.200 -0.024 0.000 0.999 745 S CB 1.469 64.643 63.200 -0.043 0.000 0.973 745 S HN 0.052 nan 8.310 nan 0.000 0.544 746 P HA 0.228 nan 4.420 nan 0.000 0.274 746 P C -0.685 176.568 177.300 -0.077 0.000 1.231 746 P CA -0.472 62.603 63.100 -0.043 0.000 0.790 746 P CB 0.360 32.041 31.700 -0.032 0.000 0.951 747 L N 1.774 122.903 121.223 -0.157 0.000 2.485 747 L HA 0.047 3.607 4.340 -1.300 0.000 0.275 747 L C 1.104 177.799 176.870 -0.292 0.000 1.207 747 L CA 0.360 55.074 54.840 -0.211 0.000 0.855 747 L CB -0.189 41.637 42.059 -0.388 0.000 1.114 747 L HN 0.364 nan 8.230 nan 0.000 0.485 748 D N 2.012 122.420 120.400 0.014 0.000 2.479 748 D HA 0.078 3.938 4.640 -1.300 0.000 0.218 748 D C 0.551 176.988 176.300 0.229 0.000 1.131 748 D CA -0.234 53.824 54.000 0.097 0.000 0.916 748 D CB 0.475 41.428 40.800 0.255 0.000 1.022 748 D HN 0.263 nan 8.370 nan 0.000 0.515 749 Y N 1.795 122.269 120.300 0.289 0.000 2.274 749 Y HA -0.121 3.649 4.550 -1.300 0.000 0.290 749 Y C 2.196 178.225 175.900 0.215 0.000 1.145 749 Y CA 1.063 59.324 58.100 0.268 0.000 1.203 749 Y CB -0.397 38.139 38.460 0.126 0.000 0.984 749 Y HN 0.447 nan 8.280 nan 0.000 0.533 750 E N -0.070 120.302 120.200 0.287 0.000 2.110 750 E HA -0.271 3.299 4.350 -1.300 0.000 0.193 750 E C 2.004 178.665 176.600 0.101 0.000 0.988 750 E CA 1.836 58.339 56.400 0.172 0.000 0.804 750 E CB -0.511 29.270 29.700 0.135 0.000 0.745 750 E HN 0.610 nan 8.360 nan 0.000 0.458 751 H N -1.204 117.859 119.070 -0.012 0.000 2.321 751 H HA -0.149 3.627 4.556 -1.300 0.000 0.300 751 H C 1.478 176.656 175.328 -0.250 0.000 1.087 751 H CA 2.240 58.136 56.048 -0.253 0.000 1.319 751 H CB -0.417 29.047 29.762 -0.497 0.000 1.379 751 H HN 0.279 nan 8.280 nan 0.000 0.501 752 Y N -0.560 119.738 120.300 -0.003 0.000 2.242 752 Y HA -0.135 3.635 4.550 -1.300 0.000 0.291 752 Y C 2.485 178.319 175.900 -0.111 0.000 1.137 752 Y CA 1.057 59.121 58.100 -0.060 0.000 1.181 752 Y CB -0.427 38.096 38.460 0.104 0.000 0.989 752 Y HN 0.286 nan 8.280 nan 0.000 0.527 753 L N -0.607 120.674 121.223 0.096 0.000 1.994 753 L HA -0.190 3.370 4.340 -1.300 0.000 0.208 753 L C 2.190 179.060 176.870 -0.000 0.000 1.071 753 L CA 2.270 57.145 54.840 0.059 0.000 0.745 753 L CB -1.089 41.031 42.059 0.103 0.000 0.892 753 L HN 0.109 nan 8.230 nan 0.000 0.431 754 T N -0.285 114.238 114.554 -0.053 0.000 2.857 754 T HA -0.042 3.528 4.350 -1.300 0.000 0.266 754 T C 1.839 176.421 174.700 -0.196 0.000 1.048 754 T CA 1.076 63.121 62.100 -0.090 0.000 1.139 754 T CB -0.054 68.761 68.868 -0.088 0.000 0.874 754 T HN 0.255 nan 8.240 nan 0.000 0.455 755 R N 0.447 120.718 120.500 -0.382 0.000 2.254 755 R HA 0.276 3.836 4.340 -1.300 0.000 0.195 755 R C 1.952 178.093 176.300 -0.265 0.000 0.957 755 R CA 0.490 56.328 56.100 -0.437 0.000 1.024 755 R CB 0.001 29.770 30.300 -0.885 0.000 0.952 755 R HN 0.380 nan 8.270 nan 0.000 0.484 756 Q N -0.090 119.610 119.800 -0.166 0.000 2.606 756 Q HA 0.248 3.808 4.340 -1.300 0.000 0.215 756 Q C 2.332 178.400 176.000 0.114 0.000 0.908 756 Q CA 0.401 56.240 55.803 0.060 0.000 0.908 756 Q CB 0.034 28.814 28.738 0.069 0.000 1.120 756 Q HN 0.153 nan 8.270 nan 0.000 0.628 757 L N 1.104 122.303 121.223 -0.039 0.000 2.027 757 L HA -0.156 3.404 4.340 -1.300 0.000 0.206 757 L C 2.716 179.437 176.870 -0.248 0.000 1.074 757 L CA 1.394 56.135 54.840 -0.166 0.000 0.745 757 L CB -0.466 41.377 42.059 -0.359 0.000 0.898 757 L HN 0.318 nan 8.230 nan 0.000 0.433 758 Q N 0.428 119.990 119.800 -0.397 0.000 2.061 758 Q HA -0.192 3.368 4.340 -1.300 0.000 0.204 758 Q C -0.560 175.212 176.000 -0.380 0.000 0.984 758 Q CA 2.168 57.544 55.803 -0.711 0.000 0.846 758 Q CB -0.695 27.850 28.738 -0.321 0.000 0.902 758 Q HN 0.285 nan 8.270 nan 0.000 0.421 759 P HA -0.140 nan 4.420 nan 0.000 0.216 759 P C 1.309 178.578 177.300 -0.052 0.000 1.150 759 P CA 1.122 64.204 63.100 -0.031 0.000 0.837 759 P CB -0.020 31.763 31.700 0.139 0.000 0.786 760 V N 0.222 120.128 119.914 -0.013 0.000 2.358 760 V HA -0.238 3.102 4.120 -1.300 0.000 0.246 760 V C 2.507 178.592 176.094 -0.016 0.000 1.047 760 V CA 2.265 64.559 62.300 -0.009 0.000 1.035 760 V CB -1.712 30.178 31.823 0.111 0.000 0.658 760 V HN 0.099 nan 8.190 nan 0.000 0.452 761 A N -0.424 122.377 122.820 -0.032 0.000 1.902 761 A HA -0.241 3.299 4.320 -1.300 0.000 0.217 761 A C 2.138 179.682 177.584 -0.066 0.000 1.181 761 A CA 1.803 53.813 52.037 -0.045 0.000 0.623 761 A CB -0.514 18.461 19.000 -0.042 0.000 0.818 761 A HN 0.609 nan 8.150 nan 0.000 0.443 762 E N -0.665 119.470 120.200 -0.108 0.000 2.209 762 E HA -0.123 3.447 4.350 -1.300 0.000 0.196 762 E C 1.953 178.504 176.600 -0.082 0.000 0.993 762 E CA 0.618 56.971 56.400 -0.078 0.000 0.819 762 E CB -0.309 29.345 29.700 -0.077 0.000 0.745 762 E HN 0.643 nan 8.360 nan 0.000 0.477 763 G N 0.642 109.414 108.800 -0.047 0.000 2.443 763 G HA2 -0.179 3.001 3.960 -1.300 0.000 0.219 763 G HA3 -0.179 3.001 3.960 -1.300 0.000 0.219 763 G C 1.500 176.428 174.900 0.047 0.000 1.131 763 G CA 0.406 45.510 45.100 0.006 0.000 0.775 763 G HN 0.266 nan 8.290 nan 0.000 0.547 764 I N -1.240 119.303 120.570 -0.045 0.000 4.197 764 I HA 0.280 3.670 4.170 -1.300 0.000 0.307 764 I C 2.141 178.200 176.117 -0.097 0.000 1.236 764 I CA -0.031 61.220 61.300 -0.081 0.000 1.321 764 I CB 0.257 37.960 38.000 -0.495 0.000 1.309 764 I HN -0.012 nan 8.210 nan 0.000 0.450 765 L N 2.029 123.162 121.223 -0.150 0.000 2.127 765 L HA -0.104 3.456 4.340 -1.300 0.000 0.211 765 L C -0.692 176.105 176.870 -0.121 0.000 1.089 765 L CA 1.390 56.150 54.840 -0.133 0.000 0.757 765 L CB -2.058 39.981 42.059 -0.034 0.000 0.899 765 L HN 0.236 nan 8.230 nan 0.000 0.434 766 P HA -0.158 nan 4.420 nan 0.000 0.219 766 P C 1.381 178.484 177.300 -0.328 0.000 1.146 766 P CA 1.344 64.263 63.100 -0.302 0.000 0.808 766 P CB -0.033 31.394 31.700 -0.455 0.000 0.779 767 F N -0.442 119.433 119.950 -0.125 0.000 2.407 767 F HA -0.000 3.746 4.527 -1.300 0.000 0.299 767 F C 1.824 177.553 175.800 -0.118 0.000 1.097 767 F CA 0.873 58.789 58.000 -0.141 0.000 1.422 767 F CB -0.856 38.029 39.000 -0.192 0.000 1.067 767 F HN -0.055 nan 8.300 nan 0.000 0.539 768 I N -2.580 118.014 120.570 0.039 0.000 3.816 768 I HA 0.322 3.712 4.170 -1.300 0.000 0.334 768 I C -0.273 175.866 176.117 0.036 0.000 1.551 768 I CA -0.195 61.123 61.300 0.029 0.000 1.153 768 I CB -0.618 37.385 38.000 0.006 0.000 1.197 768 I HN -0.001 nan 8.210 nan 0.000 0.439 769 E N 1.461 121.665 120.200 0.006 0.000 2.360 769 E HA -0.236 3.334 4.350 -1.300 0.000 0.238 769 E C -0.375 176.242 176.600 0.029 0.000 1.186 769 E CA 0.784 57.185 56.400 0.003 0.000 0.719 769 E CB -0.946 28.761 29.700 0.012 0.000 1.236 769 E HN 0.692 nan 8.360 nan 0.000 0.386 770 D N -0.019 120.404 120.400 0.037 0.000 2.419 770 D HA 0.368 4.228 4.640 -1.300 0.000 0.234 770 D C -1.018 175.321 176.300 0.064 0.000 1.014 770 D CA -0.639 53.413 54.000 0.086 0.000 0.919 770 D CB 1.228 42.149 40.800 0.201 0.000 1.366 770 D HN 0.067 nan 8.370 nan 0.000 0.490 771 N N 2.495 121.246 118.700 0.085 0.000 2.296 771 N HA 0.109 4.069 4.740 -1.300 0.000 0.294 771 N C 0.153 175.748 175.510 0.141 0.000 1.033 771 N CA -0.412 52.692 53.050 0.090 0.000 0.839 771 N CB 1.079 39.594 38.487 0.047 0.000 1.395 771 N HN 0.309 nan 8.380 nan 0.000 0.479 772 F N 3.948 123.919 119.950 0.036 0.000 2.186 772 F HA 0.004 3.751 4.527 -1.300 0.000 0.299 772 F C 2.085 177.908 175.800 0.037 0.000 1.090 772 F CA 1.801 59.835 58.000 0.057 0.000 1.307 772 F CB -0.034 39.003 39.000 0.062 0.000 1.019 772 F HN 0.681 nan 8.300 nan 0.000 0.489 773 A N -0.986 121.883 122.820 0.082 0.000 1.877 773 A HA -0.217 3.323 4.320 -1.300 0.000 0.216 773 A C 2.264 179.791 177.584 -0.096 0.000 1.186 773 A CA 2.291 54.318 52.037 -0.016 0.000 0.620 773 A CB -1.551 17.482 19.000 0.056 0.000 0.822 773 A HN 0.406 nan 8.150 nan 0.000 0.443 774 T N -0.735 113.787 114.554 -0.053 0.000 2.788 774 T HA -0.068 3.502 4.350 -1.300 0.000 0.268 774 T C 1.749 176.386 174.700 -0.105 0.000 1.044 774 T CA 1.532 63.596 62.100 -0.059 0.000 1.139 774 T CB -0.367 68.488 68.868 -0.023 0.000 0.867 774 T HN 0.228 nan 8.240 nan 0.000 0.454 775 L N 0.562 121.702 121.223 -0.139 0.000 2.027 775 L HA 0.080 3.640 4.340 -1.300 0.000 0.206 775 L C 2.555 179.267 176.870 -0.264 0.000 1.074 775 L CA 1.629 56.367 54.840 -0.171 0.000 0.745 775 L CB -0.550 41.418 42.059 -0.153 0.000 0.898 775 L HN 0.318 nan 8.230 nan 0.000 0.433 776 M N -0.846 118.493 119.600 -0.435 0.000 2.108 776 M HA -0.230 3.470 4.480 -1.300 0.000 0.261 776 M C 2.248 178.395 176.300 -0.254 0.000 1.066 776 M CA 2.324 57.364 55.300 -0.433 0.000 1.107 776 M CB -0.260 31.998 32.600 -0.571 0.000 1.356 776 M HN 0.507 nan 8.290 nan 0.000 0.406 777 T N -2.115 112.319 114.554 -0.199 0.000 2.995 777 T HA 0.126 3.696 4.350 -1.300 0.000 0.269 777 T C 1.080 175.686 174.700 -0.157 0.000 1.091 777 T CA 0.464 62.468 62.100 -0.161 0.000 1.128 777 T CB -0.939 67.871 68.868 -0.096 0.000 0.891 777 T HN 0.435 nan 8.240 nan 0.000 0.492 783 F N 0.000 119.935 119.950 -0.024 0.000 2.286 783 F HA 0.000 3.747 4.527 -1.300 0.000 0.279 783 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 783 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574