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 3k57_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 ELLGEGKSID 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 QL 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 0.000 177.333 177.300 0.054 0.000 1.155 -1 P CA 0.000 63.136 63.100 0.059 0.000 0.800 -1 P CB 0.000 31.743 31.700 0.072 0.000 0.726 0 H N 2.120 121.200 119.070 0.017 0.000 3.125 0 H HA 0.401 4.078 4.556 -1.465 0.000 0.310 0 H C 0.406 175.744 175.328 0.016 0.000 0.980 0 H CA 1.375 57.431 56.048 0.014 0.000 1.422 0 H CB -0.011 29.755 29.762 0.006 0.000 1.432 0 H HN 0.157 nan 8.280 nan 0.000 0.577 1 M N 2.811 122.308 119.600 -0.173 0.000 2.562 1 M HA 0.701 4.302 4.480 -1.464 0.000 0.281 1 M C -1.980 174.277 176.300 -0.072 0.000 1.195 1 M CA -0.990 54.281 55.300 -0.048 0.000 0.888 1 M CB 2.002 34.591 32.600 -0.019 0.000 1.731 1 M HN 0.510 nan 8.290 nan 0.000 0.493 2 A N 2.029 124.857 122.820 0.013 0.000 2.401 2 A HA 0.943 4.385 4.320 -1.464 0.000 0.310 2 A C -1.302 176.378 177.584 0.159 0.000 1.075 2 A CA -0.405 51.666 52.037 0.057 0.000 0.746 2 A CB 1.826 20.825 19.000 -0.002 0.000 1.277 2 A HN 1.023 nan 8.150 nan 0.000 0.425 3 Q N 0.366 120.337 119.800 0.286 0.000 2.702 3 Q HA 0.702 4.163 4.340 -1.464 0.000 0.289 3 Q C -0.856 175.290 176.000 0.244 0.000 0.923 3 Q CA -0.795 55.208 55.803 0.333 0.000 0.787 3 Q CB 1.471 30.281 28.738 0.119 0.000 1.476 3 Q HN 1.470 nan 8.270 nan 0.000 0.402 4 A N 0.254 122.960 122.820 -0.190 0.000 2.340 4 A HA 0.873 4.314 4.320 -1.464 0.000 0.268 4 A C 0.147 177.218 177.584 -0.855 0.000 1.100 4 A CA 0.462 51.989 52.037 -0.849 0.000 0.803 4 A CB 0.704 18.879 19.000 -1.376 0.000 1.043 4 A HN 0.961 nan 8.150 nan 0.000 0.488 5 G N -0.739 107.597 108.800 -0.773 0.000 2.660 5 G HA2 0.549 3.631 3.960 -1.464 0.000 0.290 5 G HA3 0.549 3.631 3.960 -1.464 0.000 0.290 5 G C -1.778 173.165 174.900 0.072 0.000 1.432 5 G CA -0.468 44.448 45.100 -0.307 0.000 0.807 5 G HN 0.799 nan 8.290 nan 0.000 0.485 6 F N 1.021 121.077 119.950 0.177 0.000 2.499 6 F HA 0.595 4.243 4.527 -1.464 0.000 0.333 6 F C 0.188 176.070 175.800 0.137 0.000 1.138 6 F CA -0.955 57.152 58.000 0.178 0.000 0.945 6 F CB 1.313 40.435 39.000 0.204 0.000 1.181 6 F HN 0.343 nan 8.300 nan 0.000 0.435 7 I N 7.407 127.941 120.570 -0.060 0.000 2.668 7 I HA -0.056 3.236 4.170 -1.464 0.000 0.285 7 I C 0.585 176.852 176.117 0.250 0.000 1.168 7 I CA 0.558 61.909 61.300 0.085 0.000 1.424 7 I CB 0.717 38.688 38.000 -0.049 0.000 1.377 7 I HN 0.778 nan 8.210 nan 0.000 0.560 8 L N 4.584 126.001 121.223 0.324 0.000 2.347 8 L HA 0.151 3.612 4.340 -1.464 0.000 0.196 8 L C 0.923 177.931 176.870 0.229 0.000 1.072 8 L CA 0.528 55.546 54.840 0.298 0.000 0.817 8 L CB -0.075 42.159 42.059 0.292 0.000 1.029 8 L HN 0.723 nan 8.230 nan 0.000 0.478 9 T N -1.312 113.418 114.554 0.295 0.000 2.906 9 T HA 0.647 4.118 4.350 -1.464 0.000 0.295 9 T C -0.547 174.249 174.700 0.161 0.000 1.075 9 T CA -0.804 61.402 62.100 0.176 0.000 1.005 9 T CB 2.656 71.642 68.868 0.197 0.000 1.136 9 T HN 0.022 nan 8.240 nan 0.000 0.498 10 R N 0.756 121.127 120.500 -0.214 0.000 2.670 10 R HA 0.730 4.192 4.340 -1.464 0.000 0.289 10 R C -1.181 174.693 176.300 -0.710 0.000 0.965 10 R CA -0.871 55.089 56.100 -0.233 0.000 0.899 10 R CB 1.635 31.959 30.300 0.041 0.000 1.173 10 R HN 0.780 nan 8.270 nan 0.000 0.456 11 H N 0.915 119.892 119.070 -0.155 0.000 3.016 11 H HA 0.534 4.212 4.556 -1.464 0.000 0.362 11 H C -1.225 174.074 175.328 -0.048 0.000 1.233 11 H CA -0.823 55.171 56.048 -0.090 0.000 1.124 11 H CB 1.893 31.621 29.762 -0.057 0.000 1.850 11 H HN 0.658 nan 8.280 nan 0.000 0.549 12 W N 1.001 122.285 121.300 -0.027 0.000 3.296 12 W HA 0.657 4.439 4.660 -1.463 0.000 0.314 12 W C -1.890 174.616 176.519 -0.022 0.000 1.238 12 W CA -1.046 56.257 57.345 -0.070 0.000 1.193 12 W CB 1.847 31.233 29.460 -0.125 0.000 1.383 12 W HN 0.844 nan 8.180 nan 0.000 0.545 13 R N 1.219 121.783 120.500 0.106 0.000 2.604 13 R HA 0.366 3.828 4.340 -1.464 0.000 0.270 13 R C -1.369 175.045 176.300 0.190 0.000 1.052 13 R CA -0.717 55.354 56.100 -0.049 0.000 0.902 13 R CB 2.079 32.307 30.300 -0.119 0.000 1.233 13 R HN 0.166 nan 8.270 nan 0.000 0.455 14 D N 2.366 122.899 120.400 0.221 0.000 2.345 14 D HA 0.266 4.028 4.640 -1.464 0.000 0.247 14 D C -0.037 176.323 176.300 0.101 0.000 1.108 14 D CA 0.523 54.647 54.000 0.205 0.000 0.894 14 D CB 1.922 42.854 40.800 0.220 0.000 1.203 14 D HN 0.686 nan 8.370 nan 0.000 0.430 15 T N -1.615 112.990 114.554 0.084 0.000 2.838 15 T HA 0.457 3.928 4.350 -1.464 0.000 0.292 15 T C -2.263 172.467 174.700 0.050 0.000 1.113 15 T CA -1.559 60.573 62.100 0.054 0.000 1.008 15 T CB 1.770 70.663 68.868 0.042 0.000 1.259 15 T HN -0.121 nan 8.240 nan 0.000 0.520 16 P HA 0.023 nan 4.420 nan 0.000 0.220 16 P C 1.054 178.376 177.300 0.035 0.000 1.148 16 P CA 0.907 64.028 63.100 0.035 0.000 0.803 16 P CB 0.049 31.766 31.700 0.028 0.000 0.782 17 Q N -1.127 118.693 119.800 0.034 0.000 2.403 17 Q HA 0.361 3.822 4.340 -1.464 0.000 0.203 17 Q C 0.926 176.948 176.000 0.037 0.000 0.932 17 Q CA 0.554 56.375 55.803 0.031 0.000 0.945 17 Q CB -0.015 28.738 28.738 0.025 0.000 1.045 17 Q HN 0.184 nan 8.270 nan 0.000 0.511 18 G N -1.174 107.655 108.800 0.048 0.000 2.381 18 G HA2 -0.103 2.979 3.960 -1.464 0.000 0.672 18 G HA3 -0.103 2.979 3.960 -1.464 0.000 0.672 18 G C -0.836 174.108 174.900 0.073 0.000 1.324 18 G CA -0.907 44.227 45.100 0.057 0.000 0.975 18 G HN -0.120 nan 8.290 nan 0.000 0.593 19 T N 1.191 115.798 114.554 0.088 0.000 2.799 19 T HA 0.406 3.878 4.350 -1.464 0.000 0.296 19 T C 0.455 175.212 174.700 0.095 0.000 0.947 19 T CA 0.490 62.665 62.100 0.126 0.000 1.141 19 T CB 1.063 70.009 68.868 0.130 0.000 0.891 19 T HN 0.594 nan 8.240 nan 0.000 0.533 20 E N 3.354 123.617 120.200 0.105 0.000 2.174 20 E HA 0.411 3.882 4.350 -1.464 0.000 0.282 20 E C -1.146 175.488 176.600 0.057 0.000 0.992 20 E CA -0.599 55.834 56.400 0.055 0.000 0.803 20 E CB 0.776 30.498 29.700 0.037 0.000 1.090 20 E HN 0.292 nan 8.360 nan 0.000 0.396 21 V N 4.017 123.919 119.914 -0.020 0.000 2.495 21 V HA 0.406 3.648 4.120 -1.464 0.000 0.298 21 V C -0.286 175.676 176.094 -0.220 0.000 1.031 21 V CA -0.457 61.777 62.300 -0.111 0.000 0.871 21 V CB 1.585 33.318 31.823 -0.149 0.000 0.988 21 V HN 0.798 nan 8.190 nan 0.000 0.432 22 S N 3.978 119.469 115.700 -0.347 0.000 2.595 22 S HA 0.905 4.497 4.470 -1.464 0.000 0.281 22 S C -1.283 173.007 174.600 -0.517 0.000 1.117 22 S CA -0.689 57.331 58.200 -0.299 0.000 0.873 22 S CB 2.135 65.265 63.200 -0.118 0.000 1.108 22 S HN 0.315 nan 8.310 nan 0.000 0.477 23 F N -0.690 119.292 119.950 0.052 0.000 2.613 23 F HA 0.612 4.260 4.527 -1.465 0.000 0.310 23 F C -1.374 174.432 175.800 0.011 0.000 1.085 23 F CA -0.762 57.322 58.000 0.139 0.000 0.945 23 F CB 1.518 40.572 39.000 0.089 0.000 1.298 23 F HN 0.629 nan 8.300 nan 0.000 0.455 24 W N 3.519 125.031 121.300 0.354 0.000 2.417 24 W HA 0.718 4.499 4.660 -1.465 0.000 0.315 24 W C -1.373 175.281 176.519 0.225 0.000 1.045 24 W CA -0.478 57.011 57.345 0.241 0.000 1.221 24 W CB 1.375 30.966 29.460 0.218 0.000 1.309 24 W HN 0.078 nan 8.180 nan 0.000 0.453 25 L N 3.250 124.670 121.223 0.328 0.000 2.334 25 L HA 0.737 4.198 4.340 -1.464 0.000 0.276 25 L C 0.241 177.281 176.870 0.283 0.000 1.014 25 L CA -1.199 53.801 54.840 0.267 0.000 0.815 25 L CB 1.528 43.673 42.059 0.144 0.000 1.268 25 L HN 0.481 nan 8.230 nan 0.000 0.428 26 A N 1.244 124.250 122.820 0.310 0.000 2.274 26 A HA 0.729 4.171 4.320 -1.464 0.000 0.309 26 A C 0.086 177.840 177.584 0.284 0.000 1.226 26 A CA -0.101 52.103 52.037 0.279 0.000 0.853 26 A CB 0.327 19.488 19.000 0.267 0.000 1.146 26 A HN 0.765 nan 8.150 nan 0.000 0.518 27 T N -1.282 113.401 114.554 0.214 0.000 2.888 27 T HA 0.442 3.914 4.350 -1.464 0.000 0.288 27 T C 0.043 174.860 174.700 0.196 0.000 1.063 27 T CA -0.437 61.775 62.100 0.186 0.000 1.010 27 T CB 1.199 70.110 68.868 0.071 0.000 1.214 27 T HN 0.295 nan 8.240 nan 0.000 0.533 28 D N 0.316 120.830 120.400 0.189 0.000 2.263 28 D HA -0.020 3.741 4.640 -1.464 0.000 0.208 28 D C 1.089 177.446 176.300 0.096 0.000 0.971 28 D CA 0.894 54.985 54.000 0.152 0.000 0.867 28 D CB -0.035 40.852 40.800 0.144 0.000 0.929 28 D HN 0.485 nan 8.370 nan 0.000 0.492 29 N N -0.171 118.580 118.700 0.085 0.000 2.214 29 N HA 0.243 4.105 4.740 -1.464 0.000 0.214 29 N C 0.822 176.375 175.510 0.072 0.000 1.132 29 N CA 0.429 53.519 53.050 0.067 0.000 0.856 29 N CB 1.704 40.224 38.487 0.054 0.000 1.020 29 N HN 0.137 nan 8.380 nan 0.000 0.509 30 G N 1.756 110.611 108.800 0.092 0.000 2.483 30 G HA2 -0.162 2.920 3.960 -1.464 0.000 0.521 30 G HA3 -0.162 2.920 3.960 -1.464 0.000 0.521 30 G C -3.063 171.921 174.900 0.139 0.000 1.278 30 G CA -1.035 44.127 45.100 0.103 0.000 0.965 30 G HN -0.036 nan 8.290 nan 0.000 0.504 31 P HA 0.460 nan 4.420 nan 0.000 0.268 31 P C -0.722 176.707 177.300 0.215 0.000 1.204 31 P CA 0.141 63.401 63.100 0.266 0.000 0.768 31 P CB 1.465 33.377 31.700 0.352 0.000 0.842 32 L N 2.745 124.075 121.223 0.178 0.000 2.441 32 L HA 0.363 3.824 4.340 -1.464 0.000 0.270 32 L C -0.281 176.456 176.870 -0.222 0.000 0.973 32 L CA -0.612 54.227 54.840 -0.001 0.000 0.842 32 L CB 1.793 43.861 42.059 0.014 0.000 1.239 32 L HN 0.352 nan 8.230 nan 0.000 0.406 33 Q N 3.449 122.905 119.800 -0.574 0.000 2.267 33 Q HA 0.647 4.108 4.340 -1.464 0.000 0.255 33 Q C -1.679 174.058 176.000 -0.439 0.000 0.923 33 Q CA -0.459 54.744 55.803 -0.999 0.000 0.925 33 Q CB 1.451 29.357 28.738 -1.386 0.000 1.195 33 Q HN 0.613 nan 8.270 nan 0.000 0.417 34 V N 3.681 123.411 119.914 -0.306 0.000 2.531 34 V HA 0.435 3.676 4.120 -1.464 0.000 0.301 34 V C -0.699 175.367 176.094 -0.047 0.000 1.034 34 V CA -0.566 61.676 62.300 -0.096 0.000 0.865 34 V CB 2.294 34.131 31.823 0.024 0.000 0.995 34 V HN 0.888 nan 8.190 nan 0.000 0.424 35 T N 6.109 120.637 114.554 -0.043 0.000 2.824 35 T HA 0.648 4.119 4.350 -1.464 0.000 0.282 35 T C -0.218 174.469 174.700 -0.022 0.000 0.993 35 T CA -0.384 61.693 62.100 -0.039 0.000 0.967 35 T CB 1.251 70.089 68.868 -0.050 0.000 0.960 35 T HN 0.338 nan 8.240 nan 0.000 0.441 36 L N 1.688 122.885 121.223 -0.044 0.000 2.469 36 L HA 0.730 4.191 4.340 -1.464 0.000 0.253 36 L C 1.064 177.914 176.870 -0.035 0.000 1.143 36 L CA -1.170 53.631 54.840 -0.066 0.000 0.804 36 L CB 0.276 42.227 42.059 -0.180 0.000 1.214 36 L HN 0.671 nan 8.230 nan 0.000 0.476 37 A N 0.558 123.368 122.820 -0.017 0.000 2.296 37 A HA 0.507 3.948 4.320 -1.464 0.000 0.264 37 A C -2.307 175.281 177.584 0.005 0.000 1.097 37 A CA -1.297 50.743 52.037 0.005 0.000 0.811 37 A CB -0.593 18.421 19.000 0.023 0.000 1.072 37 A HN 0.449 nan 8.150 nan 0.000 0.495 38 P HA 0.090 nan 4.420 nan 0.000 0.264 38 P C -0.932 176.391 177.300 0.040 0.000 1.183 38 P CA 0.479 63.597 63.100 0.030 0.000 0.763 38 P CB 0.315 32.035 31.700 0.034 0.000 0.807 39 Q N 2.173 122.000 119.800 0.044 0.000 2.322 39 Q HA 0.294 3.755 4.340 -1.464 0.000 0.265 39 Q C 0.009 176.052 176.000 0.072 0.000 0.985 39 Q CA -0.460 55.381 55.803 0.063 0.000 0.849 39 Q CB 1.921 30.690 28.738 0.052 0.000 1.274 39 Q HN 0.471 nan 8.270 nan 0.000 0.449 40 E N 0.782 121.041 120.200 0.099 0.000 2.373 40 E HA 0.279 3.750 4.350 -1.464 0.000 0.263 40 E C -0.516 176.153 176.600 0.114 0.000 1.073 40 E CA -0.084 56.389 56.400 0.122 0.000 0.894 40 E CB 0.989 30.799 29.700 0.184 0.000 1.008 40 E HN 0.346 nan 8.360 nan 0.000 0.420 41 S N 1.105 116.857 115.700 0.087 0.000 2.489 41 S HA 0.385 3.977 4.470 -1.464 0.000 0.291 41 S C -0.863 173.708 174.600 -0.047 0.000 1.151 41 S CA -0.672 57.552 58.200 0.040 0.000 1.082 41 S CB 1.567 64.810 63.200 0.072 0.000 1.019 41 S HN 0.286 nan 8.310 nan 0.000 0.492 42 V N 2.284 122.098 119.914 -0.165 0.000 2.789 42 V HA 0.934 4.176 4.120 -1.464 0.000 0.311 42 V C -0.675 175.070 176.094 -0.581 0.000 1.073 42 V CA -0.396 61.620 62.300 -0.473 0.000 0.921 42 V CB 1.616 33.038 31.823 -0.667 0.000 1.009 42 V HN 1.044 nan 8.190 nan 0.000 0.426 43 A N 5.093 127.483 122.820 -0.718 0.000 2.532 43 A HA 0.990 4.431 4.320 -1.464 0.000 0.290 43 A C -1.644 175.453 177.584 -0.812 0.000 1.143 43 A CA -0.579 51.083 52.037 -0.626 0.000 0.728 43 A CB 1.674 20.535 19.000 -0.232 0.000 1.317 43 A HN 0.774 nan 8.150 nan 0.000 0.414 44 F N -0.460 119.546 119.950 0.095 0.000 2.546 44 F HA 0.773 4.423 4.527 -1.461 0.000 0.320 44 F C -0.110 175.809 175.800 0.198 0.000 1.076 44 F CA -0.595 57.500 58.000 0.158 0.000 0.928 44 F CB 1.945 41.071 39.000 0.210 0.000 1.189 44 F HN 0.322 nan 8.300 nan 0.000 0.465 45 I N 2.319 123.110 120.570 0.367 0.000 2.619 45 I HA 0.380 3.671 4.170 -1.464 0.000 0.292 45 I C -2.696 173.570 176.117 0.249 0.000 1.100 45 I CA -2.438 58.986 61.300 0.207 0.000 1.043 45 I CB 2.712 40.767 38.000 0.093 0.000 1.239 45 I HN 0.235 nan 8.210 nan 0.000 0.420 46 P HA 0.021 nan 4.420 nan 0.000 0.265 46 P C 0.379 177.717 177.300 0.063 0.000 1.193 46 P CA 0.167 63.374 63.100 0.179 0.000 0.765 46 P CB 0.938 32.714 31.700 0.127 0.000 0.823 47 A N 4.541 127.417 122.820 0.094 0.000 1.917 47 A HA -0.240 3.202 4.320 -1.464 0.000 0.219 47 A C 1.670 179.156 177.584 -0.163 0.000 1.182 47 A CA 2.209 54.198 52.037 -0.079 0.000 0.633 47 A CB -1.224 17.868 19.000 0.153 0.000 0.819 47 A HN 0.638 nan 8.150 nan 0.000 0.448 48 D N -0.572 119.793 120.400 -0.058 0.000 2.350 48 D HA -0.147 3.614 4.640 -1.464 0.000 0.216 48 D C 1.440 177.681 176.300 -0.099 0.000 0.968 48 D CA 1.127 55.085 54.000 -0.070 0.000 0.894 48 D CB -0.553 40.230 40.800 -0.029 0.000 0.909 48 D HN 0.661 nan 8.370 nan 0.000 0.520 49 Q N -0.092 119.645 119.800 -0.105 0.000 2.282 49 Q HA 0.170 3.631 4.340 -1.464 0.000 0.206 49 Q C 1.886 177.797 176.000 -0.149 0.000 0.878 49 Q CA -0.182 55.552 55.803 -0.114 0.000 0.944 49 Q CB 1.029 29.716 28.738 -0.086 0.000 1.100 49 Q HN 0.109 nan 8.270 nan 0.000 0.509 50 V N 1.675 121.463 119.914 -0.211 0.000 2.392 50 V HA -0.186 3.055 4.120 -1.464 0.000 0.249 50 V C -0.825 175.160 176.094 -0.182 0.000 1.059 50 V CA 1.912 64.066 62.300 -0.244 0.000 1.051 50 V CB -1.042 30.470 31.823 -0.519 0.000 0.658 50 V HN 0.244 nan 8.190 nan 0.000 0.455 51 P HA -0.151 nan 4.420 nan 0.000 0.216 51 P C 1.785 178.869 177.300 -0.361 0.000 1.153 51 P CA 1.353 64.316 63.100 -0.228 0.000 0.848 51 P CB -0.087 31.482 31.700 -0.219 0.000 0.787 52 R N -0.112 120.201 120.500 -0.311 0.000 2.092 52 R HA -0.066 3.396 4.340 -1.464 0.000 0.231 52 R C 2.022 178.231 176.300 -0.151 0.000 1.119 52 R CA 1.479 57.405 56.100 -0.291 0.000 0.970 52 R CB -0.775 29.419 30.300 -0.176 0.000 0.864 52 R HN 0.033 nan 8.270 nan 0.000 0.440 53 A N 0.671 123.419 122.820 -0.120 0.000 1.933 53 A HA -0.205 3.237 4.320 -1.464 0.000 0.218 53 A C 2.017 179.577 177.584 -0.042 0.000 1.175 53 A CA 1.408 53.398 52.037 -0.079 0.000 0.628 53 A CB -0.416 18.549 19.000 -0.059 0.000 0.814 53 A HN 0.487 nan 8.150 nan 0.000 0.444 54 Q N -1.316 118.481 119.800 -0.004 0.000 2.167 54 Q HA -0.154 3.307 4.340 -1.464 0.000 0.202 54 Q C 1.865 177.952 176.000 0.144 0.000 0.970 54 Q CA 1.405 57.260 55.803 0.086 0.000 0.855 54 Q CB -0.240 28.559 28.738 0.102 0.000 0.911 54 Q HN 0.875 nan 8.270 nan 0.000 0.438 55 H N -0.416 118.632 119.070 -0.037 0.000 2.357 55 H HA -0.091 3.586 4.556 -1.464 0.000 0.301 55 H C 1.973 177.262 175.328 -0.065 0.000 1.082 55 H CA 1.018 57.041 56.048 -0.041 0.000 1.342 55 H CB 0.148 29.887 29.762 -0.039 0.000 1.389 55 H HN 0.219 nan 8.280 nan 0.000 0.511 56 I N 0.727 121.326 120.570 0.048 0.000 2.394 56 I HA -0.210 3.081 4.170 -1.464 0.000 0.251 56 I C 1.509 177.539 176.117 -0.146 0.000 1.136 56 I CA 0.983 62.249 61.300 -0.055 0.000 1.425 56 I CB 0.095 38.043 38.000 -0.087 0.000 1.079 56 I HN 0.192 nan 8.210 nan 0.000 0.425 57 L N 0.371 121.481 121.223 -0.188 0.000 2.653 57 L HA 0.107 3.568 4.340 -1.464 0.000 0.231 57 L C 0.676 177.457 176.870 -0.148 0.000 1.153 57 L CA -0.310 54.324 54.840 -0.343 0.000 0.933 57 L CB -0.313 41.374 42.059 -0.621 0.000 1.175 57 L HN 0.186 nan 8.230 nan 0.000 0.473 58 Q N 1.148 120.918 119.800 -0.050 0.000 2.263 58 Q HA 0.242 3.703 4.340 -1.464 0.000 0.289 58 Q C 1.119 177.113 176.000 -0.009 0.000 1.061 58 Q CA 1.314 57.118 55.803 0.002 0.000 0.927 58 Q CB 0.634 29.364 28.738 -0.013 0.000 1.154 58 Q HN 0.381 nan 8.270 nan 0.000 0.378 59 G N 3.021 111.841 108.800 0.033 0.000 2.194 59 G HA2 -0.180 2.902 3.960 -1.464 0.000 0.236 59 G HA3 -0.180 2.902 3.960 -1.464 0.000 0.236 59 G C -0.239 174.697 174.900 0.060 0.000 0.987 59 G CA 0.067 45.188 45.100 0.034 0.000 0.635 59 G HN 0.577 nan 8.290 nan 0.000 0.520 60 E N 0.305 120.548 120.200 0.072 0.000 2.283 60 E HA 0.670 4.141 4.350 -1.464 0.000 0.271 60 E C 0.137 176.940 176.600 0.339 0.000 1.031 60 E CA -0.095 56.378 56.400 0.123 0.000 0.868 60 E CB 1.411 31.033 29.700 -0.130 0.000 1.094 60 E HN 0.405 nan 8.360 nan 0.000 0.401 61 Q N -1.274 118.732 119.800 0.343 0.000 2.587 61 Q HA 0.551 4.013 4.340 -1.464 0.000 0.293 61 Q C -0.114 176.122 176.000 0.393 0.000 1.083 61 Q CA -0.177 55.825 55.803 0.332 0.000 0.792 61 Q CB 1.976 30.818 28.738 0.173 0.000 1.484 61 Q HN 0.719 nan 8.270 nan 0.000 0.446 62 G N 0.545 109.497 108.800 0.253 0.000 2.246 62 G HA2 -0.210 2.871 3.960 -1.464 0.000 0.273 62 G HA3 -0.210 2.871 3.960 -1.464 0.000 0.273 62 G C -0.499 174.599 174.900 0.330 0.000 1.055 62 G CA 0.895 46.124 45.100 0.215 0.000 0.851 62 G HN 0.655 nan 8.290 nan 0.000 0.500 63 F N -1.898 118.130 119.950 0.130 0.000 2.686 63 F HA 0.903 4.551 4.527 -1.465 0.000 0.311 63 F C -0.615 175.272 175.800 0.145 0.000 1.128 63 F CA -1.398 56.702 58.000 0.166 0.000 0.946 63 F CB 1.124 40.294 39.000 0.284 0.000 1.336 63 F HN 0.441 nan 8.300 nan 0.000 0.457 64 R N 1.967 122.479 120.500 0.020 0.000 2.707 64 R HA 0.786 4.247 4.340 -1.464 0.000 0.272 64 R C -2.504 173.926 176.300 0.218 0.000 1.011 64 R CA -1.118 54.908 56.100 -0.123 0.000 0.893 64 R CB 2.185 32.444 30.300 -0.067 0.000 1.233 64 R HN 0.898 nan 8.270 nan 0.000 0.464 65 L N 1.819 123.145 121.223 0.172 0.000 2.349 65 L HA 0.522 3.983 4.340 -1.464 0.000 0.278 65 L C -0.945 176.102 176.870 0.295 0.000 0.996 65 L CA -0.531 54.506 54.840 0.327 0.000 0.825 65 L CB 2.507 44.773 42.059 0.344 0.000 1.243 65 L HN 0.803 nan 8.230 nan 0.000 0.412 66 T N 3.784 118.503 114.554 0.274 0.000 2.886 66 T HA 0.438 3.909 4.350 -1.464 0.000 0.292 66 T C -2.700 171.840 174.700 -0.266 0.000 1.012 66 T CA -1.312 60.820 62.100 0.054 0.000 0.982 66 T CB 2.190 71.129 68.868 0.119 0.000 1.018 66 T HN 0.273 nan 8.240 nan 0.000 0.451 67 P HA 0.435 nan 4.420 nan 0.000 0.275 67 P C -1.036 176.070 177.300 -0.324 0.000 1.227 67 P CA -0.392 62.135 63.100 -0.956 0.000 0.781 67 P CB 0.824 32.038 31.700 -0.809 0.000 0.906 68 L N 1.127 122.229 121.223 -0.201 0.000 2.350 68 L HA 0.607 4.068 4.340 -1.464 0.000 0.260 68 L C 0.531 177.356 176.870 -0.075 0.000 1.015 68 L CA -1.347 53.451 54.840 -0.070 0.000 0.821 68 L CB 2.039 44.109 42.059 0.019 0.000 1.370 68 L HN 0.229 nan 8.230 nan 0.000 0.416 69 A N 3.237 126.016 122.820 -0.069 0.000 3.063 69 A HA 0.625 4.066 4.320 -1.464 0.000 0.263 69 A C -0.421 177.090 177.584 -0.122 0.000 1.736 69 A CA 0.136 52.123 52.037 -0.084 0.000 1.408 69 A CB -0.832 18.125 19.000 -0.072 0.000 1.108 69 A HN 0.507 nan 8.150 nan 0.000 0.621 70 L N -0.081 121.061 121.223 -0.136 0.000 2.424 70 L HA 0.563 4.024 4.340 -1.464 0.000 0.258 70 L C -0.254 176.502 176.870 -0.191 0.000 0.995 70 L CA -0.705 54.011 54.840 -0.208 0.000 0.821 70 L CB 2.637 44.546 42.059 -0.250 0.000 1.383 70 L HN 0.334 nan 8.230 nan 0.000 0.410 71 K N 0.256 120.484 120.400 -0.287 0.000 2.400 71 K HA 0.454 3.896 4.320 -1.464 0.000 0.246 71 K C -1.539 175.056 176.600 -0.008 0.000 0.995 71 K CA -0.975 55.212 56.287 -0.166 0.000 0.840 71 K CB 2.209 34.549 32.500 -0.266 0.000 1.293 71 K HN 0.632 nan 8.250 nan 0.000 0.445 72 D N -0.487 119.983 120.400 0.117 0.000 2.466 72 D HA 0.092 3.854 4.640 -1.464 0.000 0.262 72 D C 0.539 177.090 176.300 0.418 0.000 1.177 72 D CA -0.471 53.612 54.000 0.139 0.000 1.035 72 D CB 0.264 41.068 40.800 0.008 0.000 1.105 72 D HN 0.269 nan 8.370 nan 0.000 0.551 73 F N -1.047 118.921 119.950 0.030 0.000 2.722 73 F HA 0.003 3.653 4.527 -1.462 0.000 0.298 73 F C 1.353 177.065 175.800 -0.147 0.000 1.175 73 F CA 0.606 58.568 58.000 -0.064 0.000 1.462 73 F CB -0.647 38.269 39.000 -0.141 0.000 1.111 73 F HN 0.421 nan 8.300 nan 0.000 0.592 74 H N -0.954 118.256 119.070 0.232 0.000 2.549 74 H HA 0.293 3.977 4.556 -1.453 0.000 0.279 74 H C 0.626 176.030 175.328 0.127 0.000 1.018 74 H CA -0.098 56.042 56.048 0.154 0.000 1.175 74 H CB 0.114 29.967 29.762 0.152 0.000 1.485 74 H HN -0.029 nan 8.280 nan 0.000 0.543 75 R N -0.387 120.256 120.500 0.238 0.000 3.878 75 R HA -0.213 3.249 4.340 -1.464 0.000 0.330 75 R C -0.151 176.230 176.300 0.135 0.000 1.186 75 R CA 0.463 56.674 56.100 0.185 0.000 0.885 75 R CB -1.713 28.660 30.300 0.122 0.000 1.377 75 R HN 0.313 nan 8.270 nan 0.000 0.523 76 Q N 1.178 121.081 119.800 0.171 0.000 2.256 76 Q HA 0.355 3.816 4.340 -1.464 0.000 0.254 76 Q C -2.428 173.644 176.000 0.120 0.000 0.916 76 Q CA -2.301 53.585 55.803 0.138 0.000 0.932 76 Q CB 1.230 30.064 28.738 0.161 0.000 1.207 76 Q HN -0.155 nan 8.270 nan 0.000 0.426 77 P HA -0.009 nan 4.420 nan 0.000 0.268 77 P C -1.226 176.179 177.300 0.175 0.000 1.208 77 P CA -0.110 63.046 63.100 0.094 0.000 0.777 77 P CB 0.632 32.393 31.700 0.101 0.000 0.875 78 V N -0.268 119.752 119.914 0.176 0.000 3.001 78 V HA 0.569 3.810 4.120 -1.464 0.000 0.314 78 V C -1.229 175.087 176.094 0.369 0.000 1.099 78 V CA -1.054 61.424 62.300 0.297 0.000 0.989 78 V CB 1.727 33.708 31.823 0.264 0.000 1.040 78 V HN 0.360 nan 8.190 nan 0.000 0.434 79 Y N 0.308 120.719 120.300 0.186 0.000 2.446 79 Y HA 0.742 4.412 4.550 -1.466 0.000 0.338 79 Y C 0.980 177.022 175.900 0.236 0.000 1.055 79 Y CA -0.372 57.838 58.100 0.183 0.000 1.101 79 Y CB 2.402 40.947 38.460 0.140 0.000 1.221 79 Y HN 1.007 nan 8.280 nan 0.000 0.460 80 G N 2.755 111.734 108.800 0.299 0.000 2.338 80 G HA2 0.440 3.521 3.960 -1.464 0.000 0.298 80 G HA3 0.440 3.521 3.960 -1.464 0.000 0.298 80 G C -1.749 173.157 174.900 0.011 0.000 1.140 80 G CA -0.460 44.681 45.100 0.069 0.000 0.860 80 G HN 0.462 nan 8.290 nan 0.000 0.470 81 L N 3.052 124.161 121.223 -0.190 0.000 2.276 81 L HA 0.598 4.060 4.340 -1.464 0.000 0.286 81 L C -1.378 175.404 176.870 -0.146 0.000 1.024 81 L CA -1.162 53.689 54.840 0.019 0.000 0.826 81 L CB 0.275 42.369 42.059 0.057 0.000 1.211 81 L HN 0.479 nan 8.230 nan 0.000 0.422 82 Y N 3.871 124.238 120.300 0.111 0.000 2.331 82 Y HA 0.596 4.268 4.550 -1.464 0.000 0.338 82 Y C 0.178 176.152 175.900 0.124 0.000 0.992 82 Y CA -0.446 57.694 58.100 0.067 0.000 1.121 82 Y CB 1.515 40.004 38.460 0.049 0.000 1.184 82 Y HN 0.531 nan 8.280 nan 0.000 0.469 83 C N 3.003 122.419 119.300 0.194 0.000 2.561 83 C HA 0.414 3.996 4.460 -1.464 0.000 0.319 83 C C 1.290 176.335 174.990 0.092 0.000 1.198 83 C CA -1.125 57.967 59.018 0.122 0.000 1.665 83 C CB 1.968 29.668 27.740 -0.066 0.000 2.258 83 C HN 0.860 nan 8.230 nan 0.000 0.493 84 R N 0.890 121.439 120.500 0.082 0.000 2.276 84 R HA 0.198 3.660 4.340 -1.464 0.000 0.203 84 R C 0.429 176.761 176.300 0.054 0.000 1.017 84 R CA 0.364 56.506 56.100 0.069 0.000 1.010 84 R CB -0.367 29.975 30.300 0.070 0.000 0.900 84 R HN 0.798 nan 8.270 nan 0.000 0.469 85 A N -0.789 122.043 122.820 0.020 0.000 2.414 85 A HA 0.371 3.812 4.320 -1.464 0.000 0.306 85 A C 0.057 177.638 177.584 -0.004 0.000 1.054 85 A CA -0.631 51.429 52.037 0.039 0.000 0.724 85 A CB 1.264 20.284 19.000 0.033 0.000 1.267 85 A HN 0.186 nan 8.150 nan 0.000 0.418 86 H N 1.258 120.290 119.070 -0.063 0.000 2.389 86 H HA -0.023 3.654 4.556 -1.465 0.000 0.299 86 H C 1.809 177.069 175.328 -0.114 0.000 1.081 86 H CA 2.078 58.007 56.048 -0.198 0.000 1.345 86 H CB 0.328 29.753 29.762 -0.561 0.000 1.393 86 H HN 0.576 nan 8.280 nan 0.000 0.520 87 R N 0.364 120.884 120.500 0.035 0.000 2.120 87 R HA -0.136 3.326 4.340 -1.464 0.000 0.234 87 R C 2.283 178.489 176.300 -0.157 0.000 1.123 87 R CA 1.284 57.380 56.100 -0.006 0.000 0.975 87 R CB -0.504 29.863 30.300 0.111 0.000 0.866 87 R HN 0.616 nan 8.270 nan 0.000 0.446 88 Q N 0.607 120.277 119.800 -0.218 0.000 2.084 88 Q HA -0.150 3.312 4.340 -1.464 0.000 0.202 88 Q C 2.010 177.602 176.000 -0.679 0.000 0.978 88 Q CA 1.216 56.761 55.803 -0.431 0.000 0.844 88 Q CB -0.081 28.412 28.738 -0.408 0.000 0.898 88 Q HN 0.172 nan 8.270 nan 0.000 0.426 89 L N 0.513 121.423 121.223 -0.523 0.000 2.046 89 L HA -0.137 3.324 4.340 -1.464 0.000 0.208 89 L C 2.261 178.929 176.870 -0.337 0.000 1.077 89 L CA 1.699 56.271 54.840 -0.448 0.000 0.747 89 L CB -0.349 41.474 42.059 -0.393 0.000 0.896 89 L HN 0.324 nan 8.230 nan 0.000 0.432 90 M N -0.726 118.651 119.600 -0.371 0.000 2.108 90 M HA -0.217 3.385 4.480 -1.464 0.000 0.261 90 M C 1.882 178.116 176.300 -0.110 0.000 1.066 90 M CA 1.603 56.766 55.300 -0.228 0.000 1.107 90 M CB -0.512 31.975 32.600 -0.189 0.000 1.356 90 M HN 0.332 nan 8.290 nan 0.000 0.406 91 N N -0.391 118.245 118.700 -0.106 0.000 2.142 91 N HA -0.134 3.727 4.740 -1.464 0.000 0.186 91 N C 1.564 177.141 175.510 0.111 0.000 1.023 91 N CA 1.351 54.401 53.050 0.000 0.000 0.852 91 N CB -0.435 38.062 38.487 0.016 0.000 0.998 91 N HN 0.338 nan 8.380 nan 0.000 0.424 92 Y N 1.814 122.038 120.300 -0.126 0.000 2.224 92 Y HA -0.048 3.623 4.550 -1.465 0.000 0.289 92 Y C 2.470 178.294 175.900 -0.127 0.000 1.146 92 Y CA 0.404 58.415 58.100 -0.148 0.000 1.182 92 Y CB -0.775 37.566 38.460 -0.198 0.000 0.983 92 Y HN 0.162 nan 8.280 nan 0.000 0.524 93 E N 1.097 121.325 120.200 0.046 0.000 2.051 93 E HA -0.235 3.236 4.350 -1.464 0.000 0.192 93 E C 2.200 178.788 176.600 -0.019 0.000 0.991 93 E CA 1.340 57.730 56.400 -0.015 0.000 0.799 93 E CB -0.098 29.573 29.700 -0.049 0.000 0.748 93 E HN 0.442 nan 8.360 nan 0.000 0.449 94 K N 0.282 120.677 120.400 -0.009 0.000 2.026 94 K HA -0.149 3.292 4.320 -1.464 0.000 0.208 94 K C 2.422 179.013 176.600 -0.015 0.000 1.048 94 K CA 1.318 57.598 56.287 -0.011 0.000 0.929 94 K CB -0.019 32.480 32.500 -0.002 0.000 0.713 94 K HN -0.008 nan 8.250 nan 0.000 0.439 95 R N 0.343 120.837 120.500 -0.010 0.000 2.081 95 R HA -0.088 3.373 4.340 -1.464 0.000 0.235 95 R C 2.441 178.709 176.300 -0.053 0.000 1.131 95 R CA 1.484 57.564 56.100 -0.032 0.000 0.960 95 R CB -0.315 29.957 30.300 -0.047 0.000 0.856 95 R HN 0.199 nan 8.270 nan 0.000 0.436 96 L N -0.048 121.138 121.223 -0.061 0.000 2.056 96 L HA -0.132 3.329 4.340 -1.464 0.000 0.207 96 L C 2.788 179.618 176.870 -0.067 0.000 1.078 96 L CA 1.255 56.050 54.840 -0.075 0.000 0.749 96 L CB -0.366 41.645 42.059 -0.081 0.000 0.901 96 L HN 0.158 nan 8.230 nan 0.000 0.433 97 R N 0.415 120.879 120.500 -0.060 0.000 2.075 97 R HA -0.177 3.284 4.340 -1.464 0.000 0.232 97 R C 2.117 178.388 176.300 -0.048 0.000 1.126 97 R CA 1.587 57.650 56.100 -0.061 0.000 0.963 97 R CB -0.084 30.184 30.300 -0.054 0.000 0.858 97 R HN 0.389 nan 8.270 nan 0.000 0.435 98 E N -0.960 119.217 120.200 -0.038 0.000 2.153 98 E HA -0.123 3.349 4.350 -1.464 0.000 0.194 98 E C 1.589 178.169 176.600 -0.033 0.000 0.988 98 E CA 1.072 57.454 56.400 -0.030 0.000 0.811 98 E CB -0.110 29.576 29.700 -0.023 0.000 0.746 98 E HN 0.557 nan 8.360 nan 0.000 0.466 99 G N -0.364 108.412 108.800 -0.040 0.000 2.848 99 G HA2 0.094 3.176 3.960 -1.464 0.000 0.208 99 G HA3 0.094 3.176 3.960 -1.464 0.000 0.208 99 G C 0.980 175.854 174.900 -0.043 0.000 1.152 99 G CA 0.300 45.376 45.100 -0.039 0.000 0.789 99 G HN 0.394 nan 8.290 nan 0.000 0.531 100 G N -1.507 107.263 108.800 -0.049 0.000 2.132 100 G HA2 -0.205 2.876 3.960 -1.464 0.000 0.234 100 G HA3 -0.205 2.876 3.960 -1.464 0.000 0.234 100 G C 0.037 174.895 174.900 -0.070 0.000 0.989 100 G CA 0.080 45.148 45.100 -0.054 0.000 0.676 100 G HN 0.715 nan 8.290 nan 0.000 0.522 101 V N 1.251 121.116 119.914 -0.081 0.000 2.435 101 V HA 0.575 3.816 4.120 -1.464 0.000 0.290 101 V C 0.827 176.843 176.094 -0.129 0.000 1.030 101 V CA -0.220 62.021 62.300 -0.098 0.000 0.881 101 V CB 1.713 33.479 31.823 -0.094 0.000 0.983 101 V HN 0.289 nan 8.190 nan 0.000 0.445 102 T N 4.832 119.286 114.554 -0.167 0.000 2.814 102 T HA 0.421 3.892 4.350 -1.464 0.000 0.297 102 T C -0.185 174.295 174.700 -0.366 0.000 0.956 102 T CA -0.052 61.873 62.100 -0.291 0.000 1.123 102 T CB 0.762 69.424 68.868 -0.345 0.000 0.902 102 T HN 0.406 nan 8.240 nan 0.000 0.528 103 V N 4.686 124.371 119.914 -0.381 0.000 2.531 103 V HA 0.439 3.680 4.120 -1.464 0.000 0.301 103 V C -1.116 174.817 176.094 -0.267 0.000 1.034 103 V CA -1.053 61.089 62.300 -0.263 0.000 0.865 103 V CB 1.106 32.858 31.823 -0.120 0.000 0.995 103 V HN 0.765 nan 8.190 nan 0.000 0.424 104 Y N 1.252 121.626 120.300 0.123 0.000 2.457 104 Y HA 0.468 4.141 4.550 -1.462 0.000 0.333 104 Y C 1.088 177.114 175.900 0.210 0.000 1.119 104 Y CA -1.110 57.091 58.100 0.169 0.000 1.143 104 Y CB 1.093 39.697 38.460 0.240 0.000 1.230 104 Y HN 0.790 nan 8.280 nan 0.000 0.469 105 E N -0.495 119.937 120.200 0.387 0.000 2.883 105 E HA -0.325 3.146 4.350 -1.464 0.000 0.271 105 E C 0.985 177.698 176.600 0.188 0.000 1.049 105 E CA 0.463 57.081 56.400 0.362 0.000 0.817 105 E CB -1.091 28.951 29.700 0.570 0.000 1.407 105 E HN 0.783 nan 8.360 nan 0.000 0.434 106 A N 1.217 124.095 122.820 0.096 0.000 2.066 106 A HA -0.182 3.260 4.320 -1.464 0.000 0.218 106 A C 1.858 179.468 177.584 0.045 0.000 1.157 106 A CA 1.437 53.480 52.037 0.010 0.000 0.670 106 A CB -0.142 18.835 19.000 -0.038 0.000 0.804 106 A HN 0.480 nan 8.150 nan 0.000 0.453 107 D N 0.064 120.514 120.400 0.083 0.000 2.310 107 D HA -0.042 3.719 4.640 -1.464 0.000 0.212 107 D C 0.324 176.674 176.300 0.085 0.000 0.965 107 D CA 0.475 54.526 54.000 0.084 0.000 0.879 107 D CB -0.587 40.261 40.800 0.079 0.000 0.921 107 D HN 0.184 nan 8.370 nan 0.000 0.510 108 V N 2.775 122.747 119.914 0.097 0.000 2.446 108 V HA 0.059 3.301 4.120 -1.464 0.000 0.276 108 V C 0.867 176.931 176.094 -0.050 0.000 1.030 108 V CA -0.428 61.895 62.300 0.037 0.000 1.033 108 V CB 0.481 32.362 31.823 0.097 0.000 0.993 108 V HN 0.057 nan 8.190 nan 0.000 0.477 109 R N 6.063 126.456 120.500 -0.179 0.000 2.641 109 R HA 0.215 3.676 4.340 -1.464 0.000 0.269 109 R C -1.490 174.497 176.300 -0.522 0.000 1.074 109 R CA -2.390 53.377 56.100 -0.554 0.000 1.133 109 R CB -0.032 30.050 30.300 -0.364 0.000 1.029 109 R HN 0.339 nan 8.270 nan 0.000 0.488 110 P HA -0.118 nan 4.420 nan 0.000 0.216 110 P C -1.411 175.825 177.300 -0.107 0.000 1.157 110 P CA 1.670 64.515 63.100 -0.425 0.000 0.880 110 P CB -0.534 30.852 31.700 -0.523 0.000 0.791 111 P HA -0.146 nan 4.420 nan 0.000 0.215 111 P C 1.423 178.898 177.300 0.292 0.000 1.157 111 P CA 1.512 64.702 63.100 0.150 0.000 0.863 111 P CB -0.360 31.373 31.700 0.054 0.000 0.787 112 E N -0.790 119.497 120.200 0.145 0.000 2.110 112 E HA -0.188 3.283 4.350 -1.464 0.000 0.193 112 E C 2.117 178.766 176.600 0.081 0.000 0.988 112 E CA 0.932 57.417 56.400 0.142 0.000 0.804 112 E CB -0.570 29.174 29.700 0.073 0.000 0.745 112 E HN 0.013 nan 8.360 nan 0.000 0.458 113 R N -0.179 120.356 120.500 0.060 0.000 2.083 113 R HA -0.197 3.264 4.340 -1.464 0.000 0.237 113 R C 2.130 178.503 176.300 0.121 0.000 1.137 113 R CA 1.521 57.666 56.100 0.074 0.000 0.951 113 R CB -0.971 29.369 30.300 0.067 0.000 0.851 113 R HN 0.331 nan 8.270 nan 0.000 0.434 114 Y N 0.470 120.814 120.300 0.073 0.000 2.114 114 Y HA -0.152 3.519 4.550 -1.464 0.000 0.284 114 Y C 1.797 177.736 175.900 0.065 0.000 1.143 114 Y CA 2.146 60.307 58.100 0.100 0.000 1.135 114 Y CB -0.251 38.322 38.460 0.189 0.000 0.980 114 Y HN 0.065 nan 8.280 nan 0.000 0.499 115 L N -0.462 120.865 121.223 0.173 0.000 2.017 115 L HA -0.261 3.200 4.340 -1.464 0.000 0.208 115 L C 2.723 179.533 176.870 -0.100 0.000 1.073 115 L CA 1.808 56.664 54.840 0.027 0.000 0.745 115 L CB -0.655 41.504 42.059 0.168 0.000 0.894 115 L HN 0.365 nan 8.230 nan 0.000 0.432 116 M N -0.196 119.289 119.600 -0.193 0.000 2.073 116 M HA -0.243 3.359 4.480 -1.464 0.000 0.258 116 M C 2.116 178.189 176.300 -0.378 0.000 1.070 116 M CA 1.811 56.818 55.300 -0.488 0.000 1.103 116 M CB -0.093 32.202 32.600 -0.509 0.000 1.321 116 M HN 0.139 nan 8.290 nan 0.000 0.405 117 E N 0.214 120.269 120.200 -0.241 0.000 2.338 117 E HA -0.108 3.363 4.350 -1.464 0.000 0.197 117 E C 1.444 177.853 176.600 -0.317 0.000 1.007 117 E CA 0.892 57.150 56.400 -0.237 0.000 0.849 117 E CB -0.178 29.476 29.700 -0.076 0.000 0.774 117 E HN 0.592 nan 8.360 nan 0.000 0.506 118 R N -0.458 119.879 120.500 -0.271 0.000 2.427 118 R HA 0.126 3.588 4.340 -1.464 0.000 0.262 118 R C -0.274 176.089 176.300 0.106 0.000 0.943 118 R CA -0.284 55.752 56.100 -0.107 0.000 1.081 118 R CB -0.002 30.167 30.300 -0.219 0.000 1.166 118 R HN 0.005 nan 8.270 nan 0.000 0.534 119 F N 0.212 120.141 119.950 -0.035 0.000 3.091 119 F HA -0.251 3.396 4.527 -1.467 0.000 0.288 119 F C -0.060 175.760 175.800 0.034 0.000 0.907 119 F CA 0.370 58.375 58.000 0.008 0.000 1.028 119 F CB -1.728 37.279 39.000 0.012 0.000 1.022 119 F HN 0.068 nan 8.300 nan 0.000 0.665 120 I N 0.024 120.669 120.570 0.125 0.000 2.412 120 I HA 0.336 3.627 4.170 -1.464 0.000 0.296 120 I C 1.179 177.395 176.117 0.164 0.000 0.987 120 I CA 0.214 61.576 61.300 0.103 0.000 1.180 120 I CB 1.663 39.671 38.000 0.013 0.000 1.340 120 I HN 0.267 nan 8.210 nan 0.000 0.455 121 T N 0.162 114.751 114.554 0.059 0.000 3.556 121 T HA 0.181 3.653 4.350 -1.464 0.000 0.204 121 T C 1.175 175.777 174.700 -0.162 0.000 0.896 121 T CA 0.284 62.362 62.100 -0.036 0.000 1.380 121 T CB 0.262 69.110 68.868 -0.033 0.000 1.584 121 T HN 0.442 nan 8.240 nan 0.000 0.411 122 S N 1.536 117.061 115.700 -0.292 0.000 2.931 122 S HA 0.386 3.978 4.470 -1.464 0.000 0.251 122 S C -2.421 171.715 174.600 -0.773 0.000 1.078 122 S CA -0.236 57.574 58.200 -0.651 0.000 0.835 122 S CB -0.026 62.528 63.200 -1.077 0.000 0.798 122 S HN 0.389 nan 8.310 nan 0.000 0.495 123 P HA 0.289 nan 4.420 nan 0.000 0.276 123 P C -0.855 176.395 177.300 -0.083 0.000 1.235 123 P CA 0.054 63.042 63.100 -0.187 0.000 0.772 123 P CB 1.158 32.892 31.700 0.058 0.000 0.871 124 V N -0.031 119.830 119.914 -0.088 0.000 3.188 124 V HA 0.629 3.871 4.120 -1.464 0.000 0.305 124 V C -1.781 174.260 176.094 -0.089 0.000 1.232 124 V CA -1.262 61.011 62.300 -0.044 0.000 1.043 124 V CB 2.012 33.803 31.823 -0.054 0.000 1.068 124 V HN 0.421 nan 8.190 nan 0.000 0.439 125 W N 1.077 122.424 121.300 0.078 0.000 2.529 125 W HA 0.780 4.561 4.660 -1.465 0.000 0.321 125 W C -0.483 176.046 176.519 0.017 0.000 1.047 125 W CA -0.812 56.569 57.345 0.059 0.000 1.216 125 W CB 2.065 31.550 29.460 0.042 0.000 1.357 125 W HN 0.678 nan 8.180 nan 0.000 0.489 126 V N 4.571 124.666 119.914 0.302 0.000 2.604 126 V HA 0.528 3.770 4.120 -1.464 0.000 0.305 126 V C -0.783 175.382 176.094 0.118 0.000 1.043 126 V CA -0.490 61.906 62.300 0.160 0.000 0.888 126 V CB 1.691 33.561 31.823 0.078 0.000 0.995 126 V HN 0.621 nan 8.190 nan 0.000 0.429 127 E N 4.092 124.334 120.200 0.070 0.000 2.288 127 E HA 0.848 4.320 4.350 -1.464 0.000 0.268 127 E C -0.204 176.338 176.600 -0.097 0.000 0.885 127 E CA -0.400 55.991 56.400 -0.014 0.000 0.767 127 E CB 2.372 32.117 29.700 0.076 0.000 1.220 127 E HN 1.129 nan 8.360 nan 0.000 0.427 128 G N 1.424 109.982 108.800 -0.404 0.000 2.323 128 G HA2 0.118 3.199 3.960 -1.464 0.000 0.291 128 G HA3 0.118 3.199 3.960 -1.464 0.000 0.291 128 G C -1.822 172.780 174.900 -0.496 0.000 1.278 128 G CA -0.848 44.055 45.100 -0.328 0.000 0.860 128 G HN 0.411 nan 8.290 nan 0.000 0.504 129 D N 0.781 121.097 120.400 -0.141 0.000 2.233 129 D HA 0.476 4.237 4.640 -1.464 0.000 0.240 129 D C 0.086 176.375 176.300 -0.018 0.000 1.074 129 D CA -0.313 53.662 54.000 -0.042 0.000 0.838 129 D CB 1.907 42.735 40.800 0.047 0.000 1.124 129 D HN 0.373 nan 8.370 nan 0.000 0.475 130 M N 3.083 122.681 119.600 -0.004 0.000 2.184 130 M HA 0.104 3.705 4.480 -1.464 0.000 0.351 130 M C -1.202 175.164 176.300 0.110 0.000 1.395 130 M CA 0.111 55.427 55.300 0.027 0.000 1.117 130 M CB 0.013 32.620 32.600 0.011 0.000 1.708 130 M HN 0.298 nan 8.290 nan 0.000 0.468 131 H N 5.177 124.231 119.070 -0.027 0.000 2.906 131 H HA 0.410 4.088 4.556 -1.465 0.000 0.324 131 H C -0.614 174.701 175.328 -0.021 0.000 0.973 131 H CA -0.194 55.843 56.048 -0.018 0.000 1.321 131 H CB 0.340 30.092 29.762 -0.017 0.000 1.535 131 H HN 0.815 nan 8.280 nan 0.000 0.518 132 N N 3.920 122.465 118.700 -0.258 0.000 2.725 132 N HA -0.181 3.680 4.740 -1.464 0.000 0.251 132 N C 1.027 176.466 175.510 -0.118 0.000 1.031 132 N CA 1.662 54.571 53.050 -0.234 0.000 0.720 132 N CB -1.344 36.922 38.487 -0.368 0.000 0.930 132 N HN 1.158 nan 8.380 nan 0.000 0.543 133 G N -2.232 106.530 108.800 -0.064 0.000 2.162 133 G HA2 -0.316 2.766 3.960 -1.464 0.000 0.260 133 G HA3 -0.316 2.766 3.960 -1.464 0.000 0.260 133 G C 0.237 175.104 174.900 -0.055 0.000 0.976 133 G CA 1.466 46.541 45.100 -0.041 0.000 0.655 133 G HN 1.299 nan 8.290 nan 0.000 0.533 134 T N -1.941 112.576 114.554 -0.062 0.000 2.916 134 T HA 0.763 4.234 4.350 -1.464 0.000 0.292 134 T C -0.333 174.340 174.700 -0.045 0.000 1.064 134 T CA -1.102 60.944 62.100 -0.089 0.000 1.011 134 T CB 2.322 71.117 68.868 -0.123 0.000 1.152 134 T HN 0.450 nan 8.240 nan 0.000 0.510 135 I N 3.240 123.771 120.570 -0.066 0.000 2.321 135 I HA 0.487 3.779 4.170 -1.464 0.000 0.291 135 I C 0.538 176.639 176.117 -0.027 0.000 0.998 135 I CA -0.896 60.379 61.300 -0.042 0.000 1.227 135 I CB 0.778 38.748 38.000 -0.050 0.000 1.368 135 I HN 0.785 nan 8.210 nan 0.000 0.466 136 V N 2.812 122.723 119.914 -0.004 0.000 2.994 136 V HA 0.600 3.841 4.120 -1.464 0.000 0.318 136 V C 0.383 176.476 176.094 -0.001 0.000 1.085 136 V CA -0.881 61.418 62.300 -0.001 0.000 0.998 136 V CB 1.423 33.252 31.823 0.010 0.000 1.063 136 V HN 0.901 nan 8.190 nan 0.000 0.447 137 N N 0.002 118.704 118.700 0.005 0.000 2.735 137 N HA -0.147 3.715 4.740 -1.464 0.000 0.248 137 N C 0.265 175.799 175.510 0.040 0.000 1.083 137 N CA 0.565 53.630 53.050 0.025 0.000 0.703 137 N CB -1.013 37.497 38.487 0.038 0.000 1.005 137 N HN 1.388 nan 8.380 nan 0.000 0.550 138 A N 0.623 123.459 122.820 0.026 0.000 2.332 138 A HA 0.654 4.095 4.320 -1.464 0.000 0.258 138 A C 0.524 178.162 177.584 0.090 0.000 1.087 138 A CA 0.165 52.227 52.037 0.041 0.000 0.802 138 A CB 0.590 19.609 19.000 0.031 0.000 1.042 138 A HN 0.362 nan 8.150 nan 0.000 0.489 139 R N 0.156 120.730 120.500 0.124 0.000 2.621 139 R HA 0.645 4.107 4.340 -1.464 0.000 0.284 139 R C -1.525 174.895 176.300 0.200 0.000 0.998 139 R CA -0.417 55.804 56.100 0.202 0.000 0.895 139 R CB 1.718 32.118 30.300 0.167 0.000 1.195 139 R HN 0.587 nan 8.270 nan 0.000 0.450 140 L N 2.725 124.113 121.223 0.275 0.000 2.354 140 L HA 0.642 4.103 4.340 -1.464 0.000 0.269 140 L C -0.488 176.466 176.870 0.139 0.000 1.005 140 L CA -0.936 54.019 54.840 0.192 0.000 0.819 140 L CB 2.075 44.229 42.059 0.158 0.000 1.311 140 L HN 0.684 nan 8.230 nan 0.000 0.423 141 K N 1.249 121.743 120.400 0.157 0.000 2.482 141 K HA 0.700 4.141 4.320 -1.464 0.000 0.257 141 K C -3.006 173.696 176.600 0.169 0.000 0.969 141 K CA -2.153 54.220 56.287 0.143 0.000 0.842 141 K CB 1.876 34.468 32.500 0.153 0.000 1.359 141 K HN 0.072 nan 8.250 nan 0.000 0.441 142 P HA -0.035 nan 4.420 nan 0.000 0.268 142 P C -1.179 176.223 177.300 0.170 0.000 1.204 142 P CA 0.109 63.289 63.100 0.134 0.000 0.768 142 P CB 0.298 32.077 31.700 0.131 0.000 0.842 143 H N 5.794 124.868 119.070 0.007 0.000 2.476 143 H HA 0.199 3.876 4.556 -1.465 0.000 0.328 143 H C -1.435 173.902 175.328 0.016 0.000 1.073 143 H CA -2.251 53.747 56.048 -0.084 0.000 1.229 143 H CB 1.445 30.983 29.762 -0.374 0.000 1.432 143 H HN 0.287 nan 8.280 nan 0.000 0.477 144 P HA -0.138 nan 4.420 nan 0.000 0.218 144 P C 0.084 177.533 177.300 0.248 0.000 1.148 144 P CA 1.617 64.829 63.100 0.187 0.000 0.822 144 P CB 0.618 32.384 31.700 0.109 0.000 0.784 145 D N -4.879 115.757 120.400 0.394 0.000 2.490 145 D HA -0.029 3.733 4.640 -1.464 0.000 0.246 145 D C 0.333 176.699 176.300 0.110 0.000 1.196 145 D CA -0.632 53.502 54.000 0.222 0.000 0.812 145 D CB -1.174 39.739 40.800 0.188 0.000 1.191 145 D HN 0.019 nan 8.370 nan 0.000 0.531 146 Y N 2.398 122.575 120.300 -0.205 0.000 2.717 146 Y HA 0.270 3.941 4.550 -1.465 0.000 0.330 146 Y C -0.216 175.652 175.900 -0.054 0.000 1.217 146 Y CA 0.147 58.028 58.100 -0.367 0.000 1.506 146 Y CB 0.431 38.313 38.460 -0.964 0.000 1.268 146 Y HN -0.174 nan 8.280 nan 0.000 0.561 147 R N 7.548 127.509 120.500 -0.897 0.000 2.575 147 R HA 0.400 3.861 4.340 -1.464 0.000 0.293 147 R C -2.831 172.859 176.300 -1.018 0.000 0.983 147 R CA -2.223 53.465 56.100 -0.686 0.000 0.887 147 R CB 1.454 31.538 30.300 -0.361 0.000 1.184 147 R HN 0.519 nan 8.270 nan 0.000 0.445 148 P HA 0.404 nan 4.420 nan 0.000 0.282 148 P C -2.529 174.660 177.300 -0.185 0.000 1.259 148 P CA -1.510 61.391 63.100 -0.332 0.000 0.826 148 P CB 0.640 32.329 31.700 -0.018 0.000 1.064 149 P HA 0.457 nan 4.420 nan 0.000 0.288 149 P C -0.993 176.313 177.300 0.010 0.000 1.267 149 P CA -0.290 62.787 63.100 -0.039 0.000 0.815 149 P CB 1.208 32.899 31.700 -0.015 0.000 0.989 150 L N 2.134 123.370 121.223 0.022 0.000 2.401 150 L HA 0.494 3.955 4.340 -1.464 0.000 0.266 150 L C 0.338 177.242 176.870 0.057 0.000 0.991 150 L CA -0.883 54.020 54.840 0.105 0.000 0.818 150 L CB 2.540 44.744 42.059 0.241 0.000 1.321 150 L HN 0.201 nan 8.230 nan 0.000 0.413 151 K N 1.795 122.262 120.400 0.113 0.000 2.183 151 K HA 0.461 3.902 4.320 -1.464 0.000 0.274 151 K C -1.390 175.383 176.600 0.288 0.000 1.009 151 K CA -0.541 55.792 56.287 0.077 0.000 0.888 151 K CB 1.429 33.962 32.500 0.056 0.000 1.078 151 K HN 0.261 nan 8.250 nan 0.000 0.459 152 W N 1.628 122.921 121.300 -0.011 0.000 2.655 152 W HA 0.572 4.354 4.660 -1.464 0.000 0.358 152 W C -0.616 175.883 176.519 -0.033 0.000 1.100 152 W CA -1.033 56.283 57.345 -0.049 0.000 1.195 152 W CB 1.054 30.444 29.460 -0.117 0.000 1.403 152 W HN 0.136 nan 8.180 nan 0.000 0.589 153 V N 2.025 122.046 119.914 0.179 0.000 2.524 153 V HA 0.469 3.710 4.120 -1.464 0.000 0.297 153 V C -0.852 175.222 176.094 -0.032 0.000 1.035 153 V CA -0.525 61.814 62.300 0.066 0.000 0.867 153 V CB 1.595 33.424 31.823 0.010 0.000 1.004 153 V HN 0.492 nan 8.190 nan 0.000 0.426 154 S N 7.466 123.124 115.700 -0.071 0.000 2.422 154 S HA 0.601 4.192 4.470 -1.464 0.000 0.298 154 S C -0.509 174.022 174.600 -0.114 0.000 1.118 154 S CA -0.481 57.648 58.200 -0.118 0.000 1.083 154 S CB 0.481 63.609 63.200 -0.119 0.000 0.971 154 S HN 0.802 nan 8.310 nan 0.000 0.478 155 I N 4.095 124.626 120.570 -0.066 0.000 2.460 155 I HA 0.588 3.879 4.170 -1.464 0.000 0.298 155 I C -1.078 175.031 176.117 -0.014 0.000 0.989 155 I CA -0.521 60.752 61.300 -0.045 0.000 1.173 155 I CB 1.627 39.646 38.000 0.031 0.000 1.338 155 I HN 0.697 nan 8.210 nan 0.000 0.456 156 D N 7.278 127.662 120.400 -0.026 0.000 2.970 156 D HA 0.427 4.188 4.640 -1.464 0.000 0.230 156 D C -1.128 175.196 176.300 0.039 0.000 1.276 156 D CA -0.513 53.495 54.000 0.014 0.000 0.910 156 D CB 1.545 42.315 40.800 -0.052 0.000 1.590 156 D HN 0.498 nan 8.370 nan 0.000 0.551 157 I N -0.329 120.315 120.570 0.123 0.000 2.648 157 I HA 0.743 4.034 4.170 -1.464 0.000 0.304 157 I C -0.781 175.459 176.117 0.204 0.000 1.009 157 I CA -0.673 60.701 61.300 0.123 0.000 1.114 157 I CB 2.006 40.045 38.000 0.064 0.000 1.293 157 I HN 0.130 nan 8.210 nan 0.000 0.449 158 E N 3.348 123.658 120.200 0.184 0.000 2.248 158 E HA 0.515 3.987 4.350 -1.464 0.000 0.267 158 E C -0.735 175.983 176.600 0.196 0.000 0.877 158 E CA -0.393 56.155 56.400 0.246 0.000 0.759 158 E CB 2.428 32.302 29.700 0.290 0.000 1.182 158 E HN 0.893 nan 8.360 nan 0.000 0.418 159 T N -1.754 112.892 114.554 0.152 0.000 2.804 159 T HA 0.590 4.061 4.350 -1.464 0.000 0.290 159 T C 0.358 174.891 174.700 -0.279 0.000 1.099 159 T CA -0.697 61.324 62.100 -0.130 0.000 1.011 159 T CB 1.184 70.035 68.868 -0.028 0.000 1.291 159 T HN 0.346 nan 8.240 nan 0.000 0.523 160 T N -1.050 113.166 114.554 -0.563 0.000 2.754 160 T HA 0.287 3.758 4.350 -1.464 0.000 0.286 160 T C 1.507 176.119 174.700 -0.146 0.000 0.997 160 T CA -0.597 61.274 62.100 -0.381 0.000 0.982 160 T CB 0.531 69.193 68.868 -0.343 0.000 1.027 160 T HN 0.939 nan 8.240 nan 0.000 0.529 161 R N -0.109 120.306 120.500 -0.141 0.000 2.293 161 R HA -0.074 3.387 4.340 -1.464 0.000 0.219 161 R C 0.840 176.925 176.300 -0.359 0.000 1.091 161 R CA 1.054 57.009 56.100 -0.241 0.000 1.004 161 R CB -0.527 29.596 30.300 -0.295 0.000 0.865 161 R HN 0.695 nan 8.270 nan 0.000 0.469 162 H N -0.338 118.701 119.070 -0.051 0.000 2.542 162 H HA 0.222 3.899 4.556 -1.464 0.000 0.283 162 H C 0.983 176.262 175.328 -0.081 0.000 1.059 162 H CA 0.459 56.472 56.048 -0.058 0.000 1.162 162 H CB 1.303 31.029 29.762 -0.059 0.000 1.539 162 H HN 0.566 nan 8.280 nan 0.000 0.543 163 G N 1.296 110.091 108.800 -0.009 0.000 2.175 163 G HA2 -0.243 2.838 3.960 -1.464 0.000 0.244 163 G HA3 -0.243 2.838 3.960 -1.464 0.000 0.244 163 G C 0.122 175.016 174.900 -0.010 0.000 0.982 163 G CA -0.167 44.917 45.100 -0.026 0.000 0.641 163 G HN 0.415 nan 8.290 nan 0.000 0.527 164 E N 0.521 120.682 120.200 -0.064 0.000 2.338 164 E HA 0.410 3.881 4.350 -1.464 0.000 0.272 164 E C 0.791 177.332 176.600 -0.098 0.000 1.029 164 E CA -0.523 55.871 56.400 -0.012 0.000 0.872 164 E CB 1.040 30.685 29.700 -0.092 0.000 1.015 164 E HN 0.364 nan 8.360 nan 0.000 0.417 165 L N 3.435 124.724 121.223 0.110 0.000 2.540 165 L HA -0.122 3.340 4.340 -1.464 0.000 0.276 165 L C 0.493 177.291 176.870 -0.121 0.000 1.212 165 L CA 0.343 55.136 54.840 -0.079 0.000 0.893 165 L CB -0.072 41.922 42.059 -0.109 0.000 1.138 165 L HN 0.667 nan 8.230 nan 0.000 0.491 166 Y N 2.001 122.250 120.300 -0.086 0.000 2.506 166 Y HA 0.146 3.818 4.550 -1.464 0.000 0.287 166 Y C 0.933 176.869 175.900 0.060 0.000 1.147 166 Y CA -0.814 57.169 58.100 -0.194 0.000 1.241 166 Y CB 0.435 38.732 38.460 -0.271 0.000 1.279 166 Y HN 0.731 nan 8.280 nan 0.000 0.527 167 C N -0.926 118.519 119.300 0.242 0.000 3.311 167 C HA 0.754 4.335 4.460 -1.464 0.000 0.325 167 C C -0.881 174.179 174.990 0.117 0.000 1.352 167 C CA -1.647 57.486 59.018 0.191 0.000 1.308 167 C CB 0.994 28.854 27.740 0.199 0.000 1.619 167 C HN 0.097 nan 8.230 nan 0.000 0.469 168 I N 1.649 122.284 120.570 0.109 0.000 2.447 168 I HA 0.616 3.907 4.170 -1.464 0.000 0.287 168 I C 0.507 176.617 176.117 -0.012 0.000 1.023 168 I CA -0.220 61.120 61.300 0.065 0.000 1.083 168 I CB 1.937 40.002 38.000 0.107 0.000 1.245 168 I HN 1.060 nan 8.210 nan 0.000 0.434 169 G N 7.194 115.948 108.800 -0.076 0.000 2.368 169 G HA2 0.737 3.819 3.960 -1.464 0.000 0.320 169 G HA3 0.737 3.819 3.960 -1.464 0.000 0.320 169 G C -0.929 173.828 174.900 -0.238 0.000 1.158 169 G CA -0.400 44.588 45.100 -0.185 0.000 0.912 169 G HN 0.419 nan 8.290 nan 0.000 0.456 170 L N 1.697 122.698 121.223 -0.370 0.000 2.362 170 L HA 0.601 4.062 4.340 -1.464 0.000 0.275 170 L C -0.209 176.416 176.870 -0.409 0.000 0.998 170 L CA -0.739 53.801 54.840 -0.500 0.000 0.820 170 L CB 2.505 43.973 42.059 -0.984 0.000 1.270 170 L HN 0.465 nan 8.230 nan 0.000 0.415 171 E N 2.640 122.665 120.200 -0.290 0.000 2.283 171 E HA 0.648 4.119 4.350 -1.464 0.000 0.258 171 E C -0.848 175.719 176.600 -0.055 0.000 0.893 171 E CA -0.288 56.014 56.400 -0.164 0.000 0.798 171 E CB 2.153 31.765 29.700 -0.146 0.000 1.242 171 E HN 0.807 nan 8.360 nan 0.000 0.414 172 G N 1.259 110.071 108.800 0.020 0.000 2.368 172 G HA2 0.034 3.115 3.960 -1.464 0.000 0.302 172 G HA3 0.034 3.115 3.960 -1.464 0.000 0.302 172 G C -0.227 174.754 174.900 0.136 0.000 1.329 172 G CA -0.219 44.936 45.100 0.090 0.000 0.935 172 G HN 0.690 nan 8.290 nan 0.000 0.590 173 C N -0.266 119.079 119.300 0.074 0.000 4.356 173 C HA 0.133 3.715 4.460 -1.464 0.000 0.296 173 C C 2.247 177.213 174.990 -0.040 0.000 1.424 173 C CA 2.008 61.034 59.018 0.014 0.000 2.000 173 C CB -1.724 26.006 27.740 -0.016 0.000 1.262 173 C HN 3.036 nan 8.230 nan 0.000 0.789 174 G N -1.032 107.749 108.800 -0.032 0.000 2.162 174 G HA2 -0.222 2.860 3.960 -1.464 0.000 0.260 174 G HA3 -0.222 2.860 3.960 -1.464 0.000 0.260 174 G C -0.221 174.645 174.900 -0.057 0.000 0.976 174 G CA 0.783 45.859 45.100 -0.040 0.000 0.655 174 G HN 0.756 nan 8.290 nan 0.000 0.533 175 Q N -0.549 119.216 119.800 -0.057 0.000 2.345 175 Q HA 0.713 4.174 4.340 -1.464 0.000 0.268 175 Q C -0.019 175.964 176.000 -0.027 0.000 1.054 175 Q CA -0.634 55.139 55.803 -0.051 0.000 0.835 175 Q CB 1.725 30.417 28.738 -0.076 0.000 1.339 175 Q HN 0.455 nan 8.270 nan 0.000 0.447 176 R N 1.338 121.820 120.500 -0.030 0.000 2.468 176 R HA 0.666 4.128 4.340 -1.464 0.000 0.302 176 R C -0.775 175.492 176.300 -0.055 0.000 1.041 176 R CA -0.255 55.804 56.100 -0.067 0.000 0.899 176 R CB 1.387 31.674 30.300 -0.023 0.000 1.167 176 R HN 0.629 nan 8.270 nan 0.000 0.483 177 I N 1.633 122.091 120.570 -0.187 0.000 2.827 177 I HA 0.497 3.789 4.170 -1.464 0.000 0.298 177 I C -1.514 174.373 176.117 -0.383 0.000 1.235 177 I CA -1.043 60.117 61.300 -0.234 0.000 1.021 177 I CB 2.430 40.245 38.000 -0.308 0.000 1.259 177 I HN 0.239 nan 8.210 nan 0.000 0.427 178 V N 6.606 126.328 119.914 -0.320 0.000 2.483 178 V HA 0.409 3.650 4.120 -1.464 0.000 0.297 178 V C -1.359 174.534 176.094 -0.335 0.000 1.027 178 V CA -0.490 61.638 62.300 -0.287 0.000 0.855 178 V CB 1.559 33.333 31.823 -0.082 0.000 0.995 178 V HN 0.487 nan 8.190 nan 0.000 0.424 179 Y N 4.977 125.263 120.300 -0.023 0.000 2.367 179 Y HA 0.706 4.377 4.550 -1.465 0.000 0.342 179 Y C 0.184 176.096 175.900 0.020 0.000 0.979 179 Y CA -0.640 57.459 58.100 -0.001 0.000 1.161 179 Y CB 1.639 40.114 38.460 0.025 0.000 1.155 179 Y HN 0.665 nan 8.280 nan 0.000 0.503 180 M N 4.268 123.946 119.600 0.129 0.000 2.465 180 M HA 0.513 4.114 4.480 -1.464 0.000 0.316 180 M C -1.767 174.727 176.300 0.322 0.000 1.121 180 M CA -1.051 54.349 55.300 0.168 0.000 0.934 180 M CB 1.203 33.790 32.600 -0.021 0.000 1.692 180 M HN 0.574 nan 8.290 nan 0.000 0.444 181 L N 4.281 125.769 121.223 0.442 0.000 2.455 181 L HA 0.577 4.038 4.340 -1.464 0.000 0.272 181 L C 0.397 177.561 176.870 0.491 0.000 1.174 181 L CA 0.721 55.843 54.840 0.469 0.000 0.869 181 L CB 0.306 42.683 42.059 0.530 0.000 1.130 181 L HN 0.844 nan 8.230 nan 0.000 0.474 182 G N 5.070 114.076 108.800 0.343 0.000 2.616 182 G HA2 0.505 3.586 3.960 -1.464 0.000 0.268 182 G HA3 0.505 3.586 3.960 -1.464 0.000 0.268 182 G C -2.574 172.366 174.900 0.067 0.000 1.213 182 G CA -0.767 44.432 45.100 0.164 0.000 0.926 182 G HN 0.652 nan 8.290 nan 0.000 0.523 183 P HA 0.272 nan 4.420 nan 0.000 0.284 183 P C -0.278 176.767 177.300 -0.425 0.000 1.287 183 P CA -0.801 62.171 63.100 -0.213 0.000 0.824 183 P CB 0.872 32.479 31.700 -0.154 0.000 1.180 184 E N 1.213 120.987 120.200 -0.710 0.000 2.415 184 E HA 0.232 3.703 4.350 -1.464 0.000 0.262 184 E C -0.307 176.081 176.600 -0.353 0.000 1.038 184 E CA -0.333 55.555 56.400 -0.853 0.000 0.921 184 E CB -0.019 29.217 29.700 -0.773 0.000 0.950 184 E HN 0.503 nan 8.360 nan 0.000 0.438 185 N N 1.046 119.623 118.700 -0.206 0.000 3.116 185 N HA 0.437 4.298 4.740 -1.464 0.000 0.244 185 N C -0.019 175.463 175.510 -0.046 0.000 1.485 185 N CA -0.052 52.926 53.050 -0.120 0.000 0.884 185 N CB 0.723 39.127 38.487 -0.140 0.000 1.415 185 N HN 0.914 nan 8.380 nan 0.000 0.524 186 G N 0.117 108.893 108.800 -0.040 0.000 2.645 186 G HA2 -0.071 3.010 3.960 -1.464 0.000 0.246 186 G HA3 -0.071 3.010 3.960 -1.464 0.000 0.246 186 G C -1.340 173.557 174.900 -0.005 0.000 1.322 186 G CA 0.392 45.483 45.100 -0.016 0.000 0.898 186 G HN 1.112 nan 8.290 nan 0.000 0.573 187 D N -0.423 119.978 120.400 0.001 0.000 2.471 187 D HA 0.702 4.463 4.640 -1.464 0.000 0.245 187 D C 0.623 176.919 176.300 -0.008 0.000 1.116 187 D CA 0.489 54.487 54.000 -0.003 0.000 0.853 187 D CB 1.010 41.803 40.800 -0.010 0.000 1.123 187 D HN 1.047 nan 8.370 nan 0.000 0.540 188 A N 2.779 125.594 122.820 -0.008 0.000 2.423 188 A HA 0.136 3.577 4.320 -1.464 0.000 0.246 188 A C 1.772 179.306 177.584 -0.082 0.000 1.278 188 A CA 0.473 52.480 52.037 -0.049 0.000 0.903 188 A CB -0.306 18.685 19.000 -0.015 0.000 0.997 188 A HN 0.516 nan 8.150 nan 0.000 0.510 189 S N -0.741 114.926 115.700 -0.054 0.000 2.402 189 S HA -0.070 3.521 4.470 -1.464 0.000 0.229 189 S C 1.636 176.195 174.600 -0.069 0.000 1.021 189 S CA 1.711 59.879 58.200 -0.054 0.000 0.974 189 S CB -0.385 62.796 63.200 -0.033 0.000 0.800 189 S HN 0.291 nan 8.310 nan 0.000 0.484 190 S N 0.983 116.642 115.700 -0.069 0.000 2.593 190 S HA 0.397 3.988 4.470 -1.464 0.000 0.217 190 S C 0.392 174.933 174.600 -0.099 0.000 0.966 190 S CA -0.277 57.885 58.200 -0.064 0.000 0.914 190 S CB -0.445 62.734 63.200 -0.036 0.000 0.776 190 S HN 0.458 nan 8.310 nan 0.000 0.523 191 L N 2.688 123.796 121.223 -0.192 0.000 2.410 191 L HA 0.168 3.630 4.340 -1.464 0.000 0.273 191 L C 0.799 177.487 176.870 -0.303 0.000 1.152 191 L CA -0.425 54.195 54.840 -0.366 0.000 0.855 191 L CB 0.407 42.005 42.059 -0.770 0.000 1.129 191 L HN 0.174 nan 8.230 nan 0.000 0.463 192 D N 2.495 122.800 120.400 -0.157 0.000 2.460 192 D HA 0.111 3.873 4.640 -1.464 0.000 0.229 192 D C -0.296 176.063 176.300 0.098 0.000 1.170 192 D CA -0.143 53.852 54.000 -0.008 0.000 0.827 192 D CB -0.185 40.657 40.800 0.068 0.000 0.973 192 D HN 0.268 nan 8.370 nan 0.000 0.496 193 F N -1.771 118.154 119.950 -0.041 0.000 2.711 193 F HA 0.565 4.214 4.527 -1.464 0.000 0.313 193 F C -0.893 174.868 175.800 -0.065 0.000 1.141 193 F CA -1.488 56.477 58.000 -0.058 0.000 0.941 193 F CB 0.726 39.680 39.000 -0.077 0.000 1.349 193 F HN -0.315 nan 8.300 nan 0.000 0.464 194 E N 1.935 122.221 120.200 0.144 0.000 2.259 194 E HA 0.428 3.899 4.350 -1.464 0.000 0.281 194 E C -1.385 175.236 176.600 0.035 0.000 1.037 194 E CA -0.726 55.683 56.400 0.016 0.000 0.854 194 E CB 1.894 31.608 29.700 0.022 0.000 1.051 194 E HN 0.539 nan 8.360 nan 0.000 0.409 195 L N 2.857 124.021 121.223 -0.099 0.000 2.298 195 L HA 0.323 3.785 4.340 -1.464 0.000 0.284 195 L C -0.829 175.947 176.870 -0.155 0.000 1.013 195 L CA -0.204 54.557 54.840 -0.132 0.000 0.824 195 L CB 1.330 43.257 42.059 -0.219 0.000 1.221 195 L HN 0.514 nan 8.230 nan 0.000 0.418 196 E N 3.706 123.817 120.200 -0.148 0.000 2.191 196 E HA 0.337 3.808 4.350 -1.464 0.000 0.263 196 E C -1.542 175.066 176.600 0.012 0.000 0.881 196 E CA -0.636 55.773 56.400 0.015 0.000 0.757 196 E CB 0.996 30.815 29.700 0.198 0.000 1.147 196 E HN 0.568 nan 8.360 nan 0.000 0.414 197 Y N 1.675 122.065 120.300 0.151 0.000 2.316 197 Y HA 0.415 4.087 4.550 -1.464 0.000 0.324 197 Y C 0.286 176.269 175.900 0.139 0.000 1.267 197 Y CA -0.440 57.744 58.100 0.140 0.000 1.311 197 Y CB 1.422 39.934 38.460 0.086 0.000 1.267 197 Y HN 0.276 nan 8.280 nan 0.000 0.516 198 V N -1.229 118.877 119.914 0.320 0.000 2.971 198 V HA 0.772 4.013 4.120 -1.464 0.000 0.309 198 V C 0.197 176.393 176.094 0.170 0.000 1.130 198 V CA -0.679 61.738 62.300 0.196 0.000 0.964 198 V CB 1.293 33.200 31.823 0.139 0.000 1.029 198 V HN 0.861 nan 8.190 nan 0.000 0.427 199 A N 2.596 125.480 122.820 0.106 0.000 1.930 199 A HA 0.279 3.721 4.320 -1.464 0.000 0.217 199 A C 1.301 178.929 177.584 0.073 0.000 1.175 199 A CA 1.634 53.718 52.037 0.077 0.000 0.627 199 A CB -0.540 18.486 19.000 0.044 0.000 0.815 199 A HN 1.854 nan 8.150 nan 0.000 0.443 200 S N -3.049 112.680 115.700 0.049 0.000 2.632 200 S HA 0.594 4.185 4.470 -1.464 0.000 0.289 200 S C 0.403 175.004 174.600 0.001 0.000 1.115 200 S CA -0.659 57.549 58.200 0.013 0.000 0.889 200 S CB 1.437 64.605 63.200 -0.053 0.000 1.116 200 S HN 0.310 nan 8.310 nan 0.000 0.486 201 R N 0.533 121.018 120.500 -0.027 0.000 2.091 201 R HA 0.001 3.462 4.340 -1.464 0.000 0.238 201 R C -0.998 175.264 176.300 -0.064 0.000 1.136 201 R CA 1.807 57.916 56.100 0.015 0.000 0.959 201 R CB -1.617 28.764 30.300 0.136 0.000 0.856 201 R HN 0.548 nan 8.270 nan 0.000 0.437 202 P HA -0.136 nan 4.420 nan 0.000 0.221 202 P C 0.697 177.953 177.300 -0.073 0.000 1.145 202 P CA 1.238 64.164 63.100 -0.289 0.000 0.795 202 P CB 0.028 31.430 31.700 -0.497 0.000 0.775 203 Q N -0.989 118.772 119.800 -0.065 0.000 2.230 203 Q HA -0.040 3.422 4.340 -1.464 0.000 0.202 203 Q C 1.991 177.969 176.000 -0.037 0.000 0.963 203 Q CA 0.807 56.590 55.803 -0.033 0.000 0.866 203 Q CB -0.515 28.218 28.738 -0.009 0.000 0.931 203 Q HN 0.302 nan 8.270 nan 0.000 0.452 204 L N 0.126 121.345 121.223 -0.006 0.000 2.083 204 L HA -0.202 3.259 4.340 -1.464 0.000 0.209 204 L C 2.119 178.956 176.870 -0.056 0.000 1.083 204 L CA 0.971 55.801 54.840 -0.017 0.000 0.752 204 L CB -0.359 41.728 42.059 0.046 0.000 0.899 204 L HN 0.295 nan 8.230 nan 0.000 0.433 205 L N -0.742 120.478 121.223 -0.005 0.000 2.109 205 L HA -0.163 3.299 4.340 -1.464 0.000 0.207 205 L C 2.438 179.290 176.870 -0.030 0.000 1.086 205 L CA 1.139 55.976 54.840 -0.005 0.000 0.760 205 L CB -0.509 41.587 42.059 0.061 0.000 0.910 205 L HN 0.302 nan 8.230 nan 0.000 0.437 206 E N 0.049 120.229 120.200 -0.034 0.000 2.072 206 E HA -0.184 3.288 4.350 -1.464 0.000 0.191 206 E C 2.179 178.736 176.600 -0.071 0.000 0.985 206 E CA 0.795 57.173 56.400 -0.036 0.000 0.801 206 E CB 0.129 29.812 29.700 -0.028 0.000 0.750 206 E HN 0.257 nan 8.360 nan 0.000 0.452 207 K N 0.732 121.023 120.400 -0.182 0.000 2.057 207 K HA -0.140 3.301 4.320 -1.464 0.000 0.207 207 K C 2.228 178.663 176.600 -0.274 0.000 1.049 207 K CA 0.600 56.648 56.287 -0.397 0.000 0.931 207 K CB -0.556 31.365 32.500 -0.964 0.000 0.714 207 K HN 0.112 nan 8.250 nan 0.000 0.440 208 L N 2.130 123.254 121.223 -0.166 0.000 2.046 208 L HA -0.177 3.284 4.340 -1.464 0.000 0.208 208 L C 1.661 178.667 176.870 0.227 0.000 1.077 208 L CA 1.775 56.669 54.840 0.088 0.000 0.747 208 L CB -0.713 41.359 42.059 0.021 0.000 0.896 208 L HN 0.112 nan 8.230 nan 0.000 0.432 209 N N 0.274 119.025 118.700 0.085 0.000 2.069 209 N HA -0.167 3.695 4.740 -1.464 0.000 0.191 209 N C 1.852 177.475 175.510 0.188 0.000 1.031 209 N CA 1.791 54.897 53.050 0.094 0.000 0.852 209 N CB -0.637 37.866 38.487 0.026 0.000 1.018 209 N HN 0.545 nan 8.380 nan 0.000 0.423 210 A N -0.310 122.601 122.820 0.152 0.000 1.933 210 A HA -0.161 3.281 4.320 -1.464 0.000 0.218 210 A C 2.219 179.950 177.584 0.246 0.000 1.175 210 A CA 1.296 53.421 52.037 0.147 0.000 0.628 210 A CB -1.152 17.907 19.000 0.099 0.000 0.814 210 A HN 0.543 nan 8.150 nan 0.000 0.444 211 W N -0.606 120.831 121.300 0.227 0.000 2.355 211 W HA -0.160 3.621 4.660 -1.465 0.000 0.309 211 W C 1.853 178.575 176.519 0.339 0.000 1.206 211 W CA 1.863 59.433 57.345 0.376 0.000 1.284 211 W CB -0.363 29.383 29.460 0.477 0.000 1.145 211 W HN 0.322 nan 8.180 nan 0.000 0.502 212 F N 0.279 120.522 119.950 0.489 0.000 2.134 212 F HA -0.222 3.426 4.527 -1.465 0.000 0.299 212 F C 2.569 178.392 175.800 0.038 0.000 1.097 212 F CA 1.853 60.032 58.000 0.299 0.000 1.264 212 F CB -0.997 38.151 39.000 0.246 0.000 1.001 212 F HN -0.042 nan 8.300 nan 0.000 0.479 213 A N 0.359 123.293 122.820 0.191 0.000 1.877 213 A HA -0.217 3.225 4.320 -1.464 0.000 0.216 213 A C 1.961 179.474 177.584 -0.119 0.000 1.186 213 A CA 2.132 54.190 52.037 0.034 0.000 0.620 213 A CB -0.730 18.288 19.000 0.031 0.000 0.822 213 A HN 0.369 nan 8.150 nan 0.000 0.443 214 N N -1.192 117.353 118.700 -0.258 0.000 2.173 214 N HA -0.073 3.789 4.740 -1.464 0.000 0.184 214 N C 1.392 176.450 175.510 -0.754 0.000 1.025 214 N CA 1.602 54.333 53.050 -0.532 0.000 0.852 214 N CB -0.626 37.414 38.487 -0.745 0.000 0.998 214 N HN 0.612 nan 8.380 nan 0.000 0.427 215 Y N 0.697 120.654 120.300 -0.572 0.000 2.475 215 Y HA 0.052 3.724 4.550 -1.465 0.000 0.289 215 Y C 0.217 175.858 175.900 -0.432 0.000 1.121 215 Y CA -0.076 57.614 58.100 -0.685 0.000 1.257 215 Y CB -0.248 37.347 38.460 -1.441 0.000 1.026 215 Y HN -0.027 nan 8.280 nan 0.000 0.555 216 D N 0.648 120.911 120.400 -0.228 0.000 2.802 216 D HA -0.144 3.617 4.640 -1.464 0.000 0.229 216 D C -2.666 173.598 176.300 -0.061 0.000 1.203 216 D CA 0.002 53.940 54.000 -0.102 0.000 0.712 216 D CB -0.173 40.590 40.800 -0.061 0.000 0.973 216 D HN 0.175 nan 8.370 nan 0.000 0.407 217 P HA 0.144 nan 4.420 nan 0.000 0.275 217 P C 0.444 177.777 177.300 0.055 0.000 1.228 217 P CA -0.271 62.831 63.100 0.003 0.000 0.786 217 P CB 0.922 32.616 31.700 -0.009 0.000 0.927 218 D N 0.316 120.781 120.400 0.108 0.000 2.183 218 D HA 0.028 3.789 4.640 -1.464 0.000 0.205 218 D C 0.428 176.796 176.300 0.115 0.000 0.962 218 D CA 1.249 55.323 54.000 0.125 0.000 0.849 218 D CB 0.403 41.298 40.800 0.160 0.000 0.978 218 D HN 0.147 nan 8.370 nan 0.000 0.488 219 V N 1.658 121.646 119.914 0.124 0.000 2.604 219 V HA 0.379 3.621 4.120 -1.464 0.000 0.305 219 V C -0.066 176.026 176.094 -0.003 0.000 1.043 219 V CA -0.736 61.580 62.300 0.026 0.000 0.888 219 V CB 2.672 34.425 31.823 -0.117 0.000 0.995 219 V HN -0.091 nan 8.190 nan 0.000 0.429 220 I N 5.768 126.330 120.570 -0.013 0.000 2.362 220 I HA 0.569 3.860 4.170 -1.464 0.000 0.289 220 I C -0.333 175.726 176.117 -0.097 0.000 0.994 220 I CA -0.401 60.907 61.300 0.013 0.000 1.158 220 I CB 1.389 39.459 38.000 0.117 0.000 1.315 220 I HN 0.638 nan 8.210 nan 0.000 0.451 221 I N 2.813 123.268 120.570 -0.191 0.000 2.846 221 I HA 1.061 4.353 4.170 -1.464 0.000 0.307 221 I C -0.107 175.919 176.117 -0.152 0.000 1.053 221 I CA -0.400 60.715 61.300 -0.308 0.000 1.050 221 I CB 2.342 39.772 38.000 -0.950 0.000 1.239 221 I HN 0.607 nan 8.210 nan 0.000 0.439 222 G N 2.546 111.337 108.800 -0.016 0.000 2.489 222 G HA2 0.258 3.339 3.960 -1.464 0.000 0.305 222 G HA3 0.258 3.339 3.960 -1.464 0.000 0.305 222 G C -2.679 172.395 174.900 0.290 0.000 1.311 222 G CA -0.669 44.501 45.100 0.116 0.000 0.813 222 G HN 0.761 nan 8.290 nan 0.000 0.480 223 W N 1.786 123.101 121.300 0.026 0.000 2.362 223 W HA 0.405 4.187 4.660 -1.464 0.000 0.316 223 W C 0.480 177.017 176.519 0.030 0.000 1.024 223 W CA -0.333 57.026 57.345 0.024 0.000 1.270 223 W CB 1.187 30.635 29.460 -0.020 0.000 1.273 223 W HN 0.698 nan 8.180 nan 0.000 0.424 224 N N 3.510 122.124 118.700 -0.143 0.000 2.740 224 N HA -0.216 3.646 4.740 -1.464 0.000 0.248 224 N C 0.692 176.262 175.510 0.100 0.000 1.062 224 N CA 1.048 54.069 53.050 -0.047 0.000 0.704 224 N CB -1.014 37.471 38.487 -0.003 0.000 0.968 224 N HN 0.370 nan 8.380 nan 0.000 0.547 225 V N -0.600 119.367 119.914 0.088 0.000 2.392 225 V HA -0.211 3.030 4.120 -1.464 0.000 0.249 225 V C 1.956 178.127 176.094 0.128 0.000 1.059 225 V CA 2.318 64.693 62.300 0.124 0.000 1.051 225 V CB 0.085 31.959 31.823 0.086 0.000 0.658 225 V HN 0.333 nan 8.190 nan 0.000 0.455 226 V N -0.584 119.396 119.914 0.109 0.000 2.273 226 V HA -0.135 3.107 4.120 -1.464 0.000 0.242 226 V C 2.510 178.741 176.094 0.228 0.000 1.035 226 V CA 1.699 64.090 62.300 0.152 0.000 1.013 226 V CB -0.706 31.176 31.823 0.099 0.000 0.652 226 V HN 0.449 nan 8.190 nan 0.000 0.452 227 Q N -1.143 118.753 119.800 0.159 0.000 2.224 227 Q HA -0.090 3.371 4.340 -1.464 0.000 0.203 227 Q C 1.814 177.909 176.000 0.158 0.000 0.970 227 Q CA 1.689 57.576 55.803 0.140 0.000 0.865 227 Q CB -0.245 28.545 28.738 0.086 0.000 0.922 227 Q HN 0.696 nan 8.270 nan 0.000 0.445 228 F N 0.628 120.603 119.950 0.041 0.000 2.484 228 F HA 0.038 3.686 4.527 -1.465 0.000 0.268 228 F C 1.254 177.076 175.800 0.037 0.000 0.965 228 F CA 0.607 58.623 58.000 0.027 0.000 1.119 228 F CB -0.093 38.922 39.000 0.025 0.000 1.153 228 F HN -0.068 nan 8.300 nan 0.000 0.689 229 D N 1.240 121.723 120.400 0.139 0.000 2.087 229 D HA -0.216 3.545 4.640 -1.464 0.000 0.192 229 D C 2.296 178.572 176.300 -0.040 0.000 0.993 229 D CA 2.312 56.311 54.000 -0.001 0.000 0.828 229 D CB -0.511 40.384 40.800 0.158 0.000 0.968 229 D HN 0.270 nan 8.370 nan 0.000 0.448 230 L N -0.020 121.253 121.223 0.083 0.000 2.093 230 L HA -0.077 3.384 4.340 -1.464 0.000 0.208 230 L C 2.545 179.557 176.870 0.236 0.000 1.085 230 L CA 0.798 55.739 54.840 0.168 0.000 0.755 230 L CB -0.312 41.873 42.059 0.209 0.000 0.904 230 L HN 0.001 nan 8.230 nan 0.000 0.435 231 R N -0.157 120.427 120.500 0.141 0.000 2.081 231 R HA -0.156 3.305 4.340 -1.464 0.000 0.235 231 R C 2.397 178.559 176.300 -0.230 0.000 1.131 231 R CA 1.331 57.335 56.100 -0.160 0.000 0.960 231 R CB 0.010 30.203 30.300 -0.179 0.000 0.856 231 R HN 0.190 nan 8.270 nan 0.000 0.436 232 M N 0.454 119.902 119.600 -0.252 0.000 2.175 232 M HA -0.127 3.474 4.480 -1.464 0.000 0.264 232 M C 2.260 178.514 176.300 -0.077 0.000 1.063 232 M CA 1.398 56.558 55.300 -0.234 0.000 1.119 232 M CB -0.739 31.598 32.600 -0.439 0.000 1.377 232 M HN 0.228 nan 8.290 nan 0.000 0.415 233 L N -0.406 120.739 121.223 -0.130 0.000 2.056 233 L HA -0.238 3.223 4.340 -1.464 0.000 0.207 233 L C 2.642 179.481 176.870 -0.051 0.000 1.078 233 L CA 1.165 55.935 54.840 -0.116 0.000 0.749 233 L CB -0.667 41.334 42.059 -0.096 0.000 0.901 233 L HN 0.277 nan 8.230 nan 0.000 0.433 234 Q N 0.715 120.489 119.800 -0.044 0.000 2.084 234 Q HA -0.209 3.252 4.340 -1.464 0.000 0.202 234 Q C 2.088 177.979 176.000 -0.181 0.000 0.978 234 Q CA 1.731 57.486 55.803 -0.080 0.000 0.844 234 Q CB -0.026 28.616 28.738 -0.161 0.000 0.898 234 Q HN 0.277 nan 8.270 nan 0.000 0.426 235 K N -1.068 119.201 120.400 -0.219 0.000 2.057 235 K HA -0.180 3.262 4.320 -1.464 0.000 0.207 235 K C 2.098 178.519 176.600 -0.298 0.000 1.049 235 K CA 1.506 57.634 56.287 -0.266 0.000 0.931 235 K CB -0.262 32.073 32.500 -0.276 0.000 0.714 235 K HN 0.411 nan 8.250 nan 0.000 0.440 236 H N 0.244 119.089 119.070 -0.374 0.000 2.353 236 H HA -0.053 3.624 4.556 -1.465 0.000 0.300 236 H C 1.986 176.961 175.328 -0.588 0.000 1.090 236 H CA 1.597 57.284 56.048 -0.602 0.000 1.327 236 H CB -0.204 29.304 29.762 -0.423 0.000 1.383 236 H HN 0.268 nan 8.280 nan 0.000 0.508 237 A N 0.791 123.527 122.820 -0.142 0.000 1.902 237 A HA -0.220 3.222 4.320 -1.464 0.000 0.217 237 A C 2.137 179.663 177.584 -0.096 0.000 1.181 237 A CA 1.908 53.906 52.037 -0.064 0.000 0.623 237 A CB -0.361 18.623 19.000 -0.027 0.000 0.818 237 A HN 0.505 nan 8.150 nan 0.000 0.443 238 E N -0.671 119.435 120.200 -0.156 0.000 2.072 238 E HA -0.150 3.321 4.350 -1.464 0.000 0.191 238 E C 2.376 178.883 176.600 -0.154 0.000 0.985 238 E CA 0.942 57.254 56.400 -0.146 0.000 0.801 238 E CB -0.134 29.456 29.700 -0.183 0.000 0.750 238 E HN 0.484 nan 8.360 nan 0.000 0.452 239 R N -0.147 120.193 120.500 -0.266 0.000 2.092 239 R HA -0.115 3.347 4.340 -1.464 0.000 0.231 239 R C 1.526 177.793 176.300 -0.056 0.000 1.119 239 R CA 1.024 56.974 56.100 -0.250 0.000 0.970 239 R CB -0.104 29.919 30.300 -0.462 0.000 0.864 239 R HN 0.279 nan 8.270 nan 0.000 0.440 240 Y N -0.145 120.131 120.300 -0.040 0.000 2.466 240 Y HA 0.169 3.841 4.550 -1.464 0.000 0.272 240 Y C 0.414 176.302 175.900 -0.020 0.000 1.169 240 Y CA -0.531 57.556 58.100 -0.021 0.000 1.285 240 Y CB -0.068 38.393 38.460 0.001 0.000 1.078 240 Y HN -0.119 nan 8.280 nan 0.000 0.523 241 R N -0.174 120.382 120.500 0.094 0.000 3.525 241 R HA -0.179 3.283 4.340 -1.464 0.000 0.276 241 R C -1.321 175.009 176.300 0.051 0.000 1.116 241 R CA 0.656 56.783 56.100 0.046 0.000 0.745 241 R CB -2.428 27.894 30.300 0.036 0.000 1.185 241 R HN 0.401 nan 8.270 nan 0.000 0.454 242 L N -3.926 117.337 121.223 0.067 0.000 2.388 242 L HA 0.886 4.348 4.340 -1.464 0.000 0.264 242 L C -2.473 174.415 176.870 0.031 0.000 0.998 242 L CA -2.549 52.323 54.840 0.053 0.000 0.817 242 L CB 1.644 43.748 42.059 0.076 0.000 1.338 242 L HN -0.266 nan 8.230 nan 0.000 0.414 243 P HA 0.182 nan 4.420 nan 0.000 0.267 243 P C -0.840 176.455 177.300 -0.009 0.000 1.205 243 P CA 0.005 63.105 63.100 0.001 0.000 0.765 243 P CB 0.659 32.356 31.700 -0.004 0.000 0.828 244 L N 4.929 126.141 121.223 -0.018 0.000 2.352 244 L HA 0.240 3.701 4.340 -1.464 0.000 0.272 244 L C 0.346 177.167 176.870 -0.082 0.000 1.109 244 L CA -0.029 54.782 54.840 -0.048 0.000 0.952 244 L CB -0.516 41.528 42.059 -0.026 0.000 1.314 244 L HN 0.197 nan 8.230 nan 0.000 0.427 245 R N 5.471 125.919 120.500 -0.088 0.000 3.701 245 R HA 0.202 3.663 4.340 -1.464 0.000 0.210 245 R C 0.397 176.605 176.300 -0.155 0.000 1.598 245 R CA -0.098 55.949 56.100 -0.089 0.000 1.427 245 R CB 0.013 30.289 30.300 -0.039 0.000 1.339 245 R HN 0.668 nan 8.270 nan 0.000 0.720 246 L N 0.166 121.248 121.223 -0.235 0.000 2.611 246 L HA 0.188 3.649 4.340 -1.464 0.000 0.229 246 L C 1.104 177.912 176.870 -0.103 0.000 1.137 246 L CA -0.116 54.494 54.840 -0.383 0.000 0.901 246 L CB 0.228 41.990 42.059 -0.495 0.000 1.098 246 L HN 0.416 nan 8.230 nan 0.000 0.456 247 G N -0.166 108.581 108.800 -0.089 0.000 2.471 247 G HA2 0.486 3.567 3.960 -1.464 0.000 0.332 247 G HA3 0.486 3.567 3.960 -1.464 0.000 0.332 247 G C -0.242 174.577 174.900 -0.135 0.000 1.176 247 G CA -0.639 44.395 45.100 -0.111 0.000 0.949 247 G HN -0.008 nan 8.290 nan 0.000 0.488 248 R N -0.278 120.043 120.500 -0.299 0.000 2.774 248 R HA 0.171 3.632 4.340 -1.464 0.000 0.269 248 R C 0.031 176.165 176.300 -0.276 0.000 1.068 248 R CA 0.207 56.077 56.100 -0.383 0.000 1.180 248 R CB 0.297 30.078 30.300 -0.865 0.000 1.077 248 R HN 0.683 nan 8.270 nan 0.000 0.513 249 D N 1.067 121.409 120.400 -0.096 0.000 2.772 249 D HA -0.192 3.570 4.640 -1.464 0.000 0.233 249 D C -0.842 175.455 176.300 -0.005 0.000 1.143 249 D CA 0.802 54.829 54.000 0.045 0.000 0.700 249 D CB -1.266 39.627 40.800 0.155 0.000 1.076 249 D HN 0.774 nan 8.370 nan 0.000 0.430 250 N N -0.980 117.708 118.700 -0.020 0.000 2.714 250 N HA -0.229 3.632 4.740 -1.464 0.000 0.252 250 N C -0.338 175.154 175.510 -0.031 0.000 1.014 250 N CA 1.248 54.290 53.050 -0.014 0.000 0.735 250 N CB -1.504 36.984 38.487 0.001 0.000 0.924 250 N HN 0.649 nan 8.380 nan 0.000 0.540 251 S N -1.117 114.547 115.700 -0.061 0.000 2.687 251 S HA 0.464 4.056 4.470 -1.464 0.000 0.283 251 S C 0.144 174.702 174.600 -0.070 0.000 1.170 251 S CA -0.878 57.281 58.200 -0.068 0.000 1.008 251 S CB 2.426 65.567 63.200 -0.098 0.000 1.026 251 S HN 0.150 nan 8.310 nan 0.000 0.541 252 E N 0.278 120.444 120.200 -0.058 0.000 2.343 252 E HA 0.251 3.723 4.350 -1.464 0.000 0.269 252 E C -0.447 176.111 176.600 -0.069 0.000 1.047 252 E CA -0.704 55.665 56.400 -0.052 0.000 0.874 252 E CB 0.805 30.491 29.700 -0.023 0.000 1.033 252 E HN 0.513 nan 8.360 nan 0.000 0.409 253 L N 2.561 123.739 121.223 -0.075 0.000 2.485 253 L HA -0.007 3.454 4.340 -1.464 0.000 0.275 253 L C -0.103 176.706 176.870 -0.102 0.000 1.207 253 L CA 0.971 55.734 54.840 -0.128 0.000 0.855 253 L CB 0.262 42.256 42.059 -0.107 0.000 1.114 253 L HN 0.457 nan 8.230 nan 0.000 0.485 254 E N 3.298 123.361 120.200 -0.229 0.000 2.277 254 E HA 0.356 3.828 4.350 -1.464 0.000 0.266 254 E C -1.716 174.694 176.600 -0.317 0.000 0.901 254 E CA -0.511 55.812 56.400 -0.129 0.000 0.782 254 E CB 1.505 31.165 29.700 -0.067 0.000 1.228 254 E HN 0.546 nan 8.360 nan 0.000 0.424 255 W N 0.954 122.262 121.300 0.013 0.000 2.785 255 W HA 0.402 4.183 4.660 -1.465 0.000 0.333 255 W C -0.172 176.445 176.519 0.163 0.000 1.062 255 W CA -0.734 56.654 57.345 0.072 0.000 1.233 255 W CB 1.353 30.785 29.460 -0.047 0.000 1.413 255 W HN 0.029 nan 8.180 nan 0.000 0.489 256 R N 2.056 122.843 120.500 0.478 0.000 2.480 256 R HA 0.241 3.703 4.340 -1.464 0.000 0.306 256 R C -0.097 176.505 176.300 0.503 0.000 0.958 256 R CA -1.072 55.270 56.100 0.403 0.000 0.861 256 R CB 1.611 32.059 30.300 0.248 0.000 1.171 256 R HN 0.794 nan 8.270 nan 0.000 0.445 257 E N 2.139 122.560 120.200 0.369 0.000 2.390 257 E HA 0.035 3.507 4.350 -1.464 0.000 0.261 257 E C -0.444 176.181 176.600 0.041 0.000 1.076 257 E CA -0.406 55.967 56.400 -0.045 0.000 0.905 257 E CB 0.804 30.441 29.700 -0.104 0.000 0.984 257 E HN 0.397 nan 8.360 nan 0.000 0.427 258 H N 2.698 121.674 119.070 -0.156 0.000 2.878 258 H HA 0.084 3.761 4.556 -1.465 0.000 0.290 258 H C 1.121 176.384 175.328 -0.107 0.000 1.065 258 H CA 0.632 56.653 56.048 -0.045 0.000 1.477 258 H CB 1.236 30.908 29.762 -0.150 0.000 1.484 258 H HN 0.837 nan 8.280 nan 0.000 0.504 259 G N 4.747 113.461 108.800 -0.143 0.000 2.476 259 G HA2 -0.315 2.766 3.960 -1.464 0.000 0.218 259 G HA3 -0.315 2.766 3.960 -1.464 0.000 0.218 259 G C 1.048 176.051 174.900 0.172 0.000 1.164 259 G CA 1.081 46.183 45.100 0.003 0.000 0.768 259 G HN 0.697 nan 8.290 nan 0.000 0.560 260 F N -0.261 119.851 119.950 0.268 0.000 2.678 260 F HA 0.583 4.232 4.527 -1.464 0.000 0.305 260 F C 0.287 176.201 175.800 0.189 0.000 1.090 260 F CA -1.347 56.788 58.000 0.225 0.000 1.272 260 F CB -0.004 39.091 39.000 0.158 0.000 1.060 260 F HN -0.016 nan 8.300 nan 0.000 0.576 261 K N 1.451 121.982 120.400 0.219 0.000 2.371 261 K HA 0.654 4.096 4.320 -1.464 0.000 0.251 261 K C -0.793 175.709 176.600 -0.163 0.000 0.934 261 K CA -0.157 56.014 56.287 -0.194 0.000 0.798 261 K CB 1.454 33.430 32.500 -0.873 0.000 1.204 261 K HN 0.210 nan 8.250 nan 0.000 0.427 262 N N 0.709 119.328 118.700 -0.134 0.000 2.405 262 N HA 0.494 4.355 4.740 -1.464 0.000 0.299 262 N C 0.811 176.222 175.510 -0.166 0.000 1.075 262 N CA -0.345 52.621 53.050 -0.140 0.000 0.884 262 N CB 1.195 39.641 38.487 -0.069 0.000 1.194 262 N HN 0.925 nan 8.380 nan 0.000 0.491 263 G N -1.285 107.390 108.800 -0.208 0.000 2.176 263 G HA2 -0.027 3.055 3.960 -1.464 0.000 0.253 263 G HA3 -0.027 3.055 3.960 -1.464 0.000 0.253 263 G C 0.273 175.079 174.900 -0.158 0.000 0.979 263 G CA 1.060 46.084 45.100 -0.128 0.000 0.641 263 G HN 2.141 nan 8.290 nan 0.000 0.530 264 V N -2.357 117.354 119.914 -0.339 0.000 2.483 264 V HA 0.889 4.130 4.120 -1.464 0.000 0.297 264 V C -0.224 175.592 176.094 -0.464 0.000 1.027 264 V CA -1.758 60.367 62.300 -0.291 0.000 0.855 264 V CB 1.246 32.885 31.823 -0.308 0.000 0.995 264 V HN 0.259 nan 8.190 nan 0.000 0.424 265 F N 3.487 123.374 119.950 -0.105 0.000 2.523 265 F HA 0.807 4.456 4.527 -1.464 0.000 0.329 265 F C -0.229 175.546 175.800 -0.041 0.000 1.061 265 F CA -0.826 57.208 58.000 0.056 0.000 0.967 265 F CB 1.997 41.160 39.000 0.272 0.000 1.218 265 F HN 0.421 nan 8.300 nan 0.000 0.480 266 F N 1.027 121.210 119.950 0.389 0.000 2.480 266 F HA 0.674 4.322 4.527 -1.464 0.000 0.329 266 F C 0.173 175.914 175.800 -0.099 0.000 1.091 266 F CA -0.956 57.121 58.000 0.128 0.000 0.972 266 F CB 1.472 40.490 39.000 0.030 0.000 1.150 266 F HN 0.464 nan 8.300 nan 0.000 0.467 267 A N 3.208 125.879 122.820 -0.249 0.000 2.301 267 A HA 0.711 4.152 4.320 -1.464 0.000 0.312 267 A C -0.795 176.546 177.584 -0.406 0.000 1.182 267 A CA -0.608 50.922 52.037 -0.844 0.000 0.826 267 A CB 0.655 19.014 19.000 -1.069 0.000 1.134 267 A HN 0.637 nan 8.150 nan 0.000 0.501 268 Q N 0.588 120.142 119.800 -0.409 0.000 2.304 268 Q HA 0.613 4.074 4.340 -1.464 0.000 0.270 268 Q C -1.045 174.835 176.000 -0.200 0.000 1.035 268 Q CA -0.423 55.252 55.803 -0.213 0.000 0.781 268 Q CB 2.241 30.905 28.738 -0.125 0.000 1.261 268 Q HN 0.859 nan 8.270 nan 0.000 0.444 269 A N 2.495 125.233 122.820 -0.136 0.000 2.311 269 A HA 0.457 3.898 4.320 -1.464 0.000 0.306 269 A C -0.243 177.283 177.584 -0.096 0.000 1.189 269 A CA -0.751 51.214 52.037 -0.119 0.000 0.791 269 A CB 0.772 19.715 19.000 -0.094 0.000 1.172 269 A HN 0.649 nan 8.150 nan 0.000 0.481 270 K N 2.045 122.367 120.400 -0.130 0.000 2.511 270 K HA 0.314 3.756 4.320 -1.464 0.000 0.280 270 K C 1.228 177.539 176.600 -0.482 0.000 1.008 270 K CA 1.600 57.760 56.287 -0.212 0.000 1.050 270 K CB -0.013 32.270 32.500 -0.363 0.000 0.889 270 K HN 1.875 nan 8.250 nan 0.000 0.484 271 G N 3.346 111.882 108.800 -0.441 0.000 2.162 271 G HA2 -0.313 2.769 3.960 -1.464 0.000 0.260 271 G HA3 -0.313 2.769 3.960 -1.464 0.000 0.260 271 G C -0.273 174.556 174.900 -0.119 0.000 0.976 271 G CA 0.636 45.446 45.100 -0.483 0.000 0.655 271 G HN 0.652 nan 8.290 nan 0.000 0.533 272 R N -1.020 119.445 120.500 -0.057 0.000 2.795 272 R HA 0.738 4.199 4.340 -1.464 0.000 0.275 272 R C -0.209 176.111 176.300 0.034 0.000 0.981 272 R CA -1.012 55.100 56.100 0.019 0.000 0.917 272 R CB 1.490 31.811 30.300 0.034 0.000 1.202 272 R HN 0.130 nan 8.270 nan 0.000 0.469 273 L N 2.565 123.816 121.223 0.048 0.000 2.343 273 L HA 0.553 4.014 4.340 -1.464 0.000 0.275 273 L C -0.259 176.613 176.870 0.004 0.000 1.056 273 L CA -0.701 54.156 54.840 0.028 0.000 0.804 273 L CB 1.174 43.257 42.059 0.040 0.000 1.203 273 L HN 0.431 nan 8.230 nan 0.000 0.440 274 I N 4.148 124.711 120.570 -0.012 0.000 2.411 274 I HA 0.342 3.633 4.170 -1.464 0.000 0.284 274 I C -0.687 175.430 176.117 -0.000 0.000 1.012 274 I CA -0.366 60.925 61.300 -0.015 0.000 1.119 274 I CB 1.650 39.627 38.000 -0.038 0.000 1.261 274 I HN 0.321 nan 8.210 nan 0.000 0.448 275 I N 4.720 125.298 120.570 0.015 0.000 2.382 275 I HA 0.247 3.538 4.170 -1.464 0.000 0.285 275 I C -0.407 175.794 176.117 0.139 0.000 1.007 275 I CA -0.486 60.869 61.300 0.092 0.000 1.142 275 I CB 1.446 39.547 38.000 0.169 0.000 1.289 275 I HN 0.515 nan 8.210 nan 0.000 0.453 276 D N 4.215 124.673 120.400 0.097 0.000 2.277 276 D HA 0.340 4.102 4.640 -1.464 0.000 0.249 276 D C 1.395 177.660 176.300 -0.059 0.000 1.134 276 D CA -0.162 53.850 54.000 0.020 0.000 0.863 276 D CB 1.930 42.702 40.800 -0.046 0.000 1.143 276 D HN 0.689 nan 8.370 nan 0.000 0.458 277 G N 3.522 112.271 108.800 -0.086 0.000 2.422 277 G HA2 -0.218 2.863 3.960 -1.464 0.000 0.218 277 G HA3 -0.218 2.863 3.960 -1.464 0.000 0.218 277 G C 1.539 176.023 174.900 -0.694 0.000 1.146 277 G CA 0.581 45.489 45.100 -0.320 0.000 0.769 277 G HN 0.656 nan 8.290 nan 0.000 0.547 278 I N 0.392 120.364 120.570 -0.997 0.000 2.142 278 I HA -0.153 3.138 4.170 -1.464 0.000 0.240 278 I C 2.772 178.508 176.117 -0.636 0.000 1.078 278 I CA 1.386 62.167 61.300 -0.865 0.000 1.343 278 I CB -0.353 37.149 38.000 -0.830 0.000 1.046 278 I HN 0.240 nan 8.210 nan 0.000 0.405 279 E N 0.991 120.918 120.200 -0.456 0.000 2.077 279 E HA -0.221 3.250 4.350 -1.464 0.000 0.193 279 E C 2.335 178.601 176.600 -0.558 0.000 0.989 279 E CA 1.376 57.547 56.400 -0.382 0.000 0.800 279 E CB -0.211 29.428 29.700 -0.102 0.000 0.746 279 E HN 0.515 nan 8.360 nan 0.000 0.452 280 A N 0.904 123.466 122.820 -0.431 0.000 1.877 280 A HA -0.183 3.259 4.320 -1.464 0.000 0.216 280 A C 2.110 179.464 177.584 -0.383 0.000 1.186 280 A CA 1.159 52.945 52.037 -0.418 0.000 0.620 280 A CB -0.540 18.306 19.000 -0.258 0.000 0.822 280 A HN 0.111 nan 8.150 nan 0.000 0.443 281 L N -0.106 120.920 121.223 -0.329 0.000 2.046 281 L HA -0.145 3.317 4.340 -1.464 0.000 0.208 281 L C 2.377 179.241 176.870 -0.010 0.000 1.077 281 L CA 1.972 56.734 54.840 -0.130 0.000 0.747 281 L CB -0.565 41.562 42.059 0.114 0.000 0.896 281 L HN 0.349 nan 8.230 nan 0.000 0.432 282 K N -0.863 119.417 120.400 -0.199 0.000 2.097 282 K HA -0.141 3.300 4.320 -1.464 0.000 0.206 282 K C 2.194 178.604 176.600 -0.317 0.000 1.049 282 K CA 1.514 57.677 56.287 -0.206 0.000 0.933 282 K CB -0.266 32.012 32.500 -0.370 0.000 0.717 282 K HN 0.454 nan 8.250 nan 0.000 0.442 283 S N 0.454 115.901 115.700 -0.422 0.000 2.447 283 S HA -0.033 3.558 4.470 -1.464 0.000 0.233 283 S C 1.787 175.951 174.600 -0.727 0.000 1.006 283 S CA 0.820 58.746 58.200 -0.455 0.000 0.957 283 S CB 0.060 63.047 63.200 -0.355 0.000 0.773 283 S HN 0.246 nan 8.310 nan 0.000 0.507 284 A N -0.141 122.252 122.820 -0.711 0.000 2.379 284 A HA 0.602 4.043 4.320 -1.464 0.000 0.236 284 A C 0.473 177.704 177.584 -0.588 0.000 1.272 284 A CA -0.434 51.025 52.037 -0.963 0.000 0.886 284 A CB -0.923 17.476 19.000 -1.003 0.000 0.962 284 A HN 0.605 nan 8.150 nan 0.000 0.504 285 F N -4.610 115.305 119.950 -0.058 0.000 2.988 285 F HA -0.225 3.423 4.527 -1.465 0.000 0.287 285 F C 0.091 175.809 175.800 -0.137 0.000 0.781 285 F CA -0.079 57.871 58.000 -0.084 0.000 1.221 285 F CB -2.787 36.127 39.000 -0.144 0.000 1.392 285 F HN 0.437 nan 8.300 nan 0.000 0.425 286 W N 1.573 122.869 121.300 -0.006 0.000 2.202 286 W HA 0.525 4.307 4.660 -1.464 0.000 0.332 286 W C 0.746 177.215 176.519 -0.084 0.000 1.263 286 W CA 0.121 57.422 57.345 -0.073 0.000 1.223 286 W CB 0.349 29.849 29.460 0.068 0.000 1.128 286 W HN -0.037 nan 8.180 nan 0.000 0.573 287 N N 1.775 120.274 118.700 -0.335 0.000 2.242 287 N HA 0.532 4.393 4.740 -1.464 0.000 0.292 287 N C -1.734 173.218 175.510 -0.930 0.000 1.125 287 N CA -0.614 52.242 53.050 -0.324 0.000 0.783 287 N CB 1.568 39.994 38.487 -0.101 0.000 1.558 287 N HN 0.198 nan 8.380 nan 0.000 0.472 288 F N -0.703 119.123 119.950 -0.206 0.000 2.685 288 F HA 0.236 3.885 4.527 -1.464 0.000 0.315 288 F C 1.783 177.502 175.800 -0.135 0.000 1.126 288 F CA -0.736 57.129 58.000 -0.224 0.000 0.950 288 F CB 1.120 39.861 39.000 -0.432 0.000 1.360 288 F HN 0.422 nan 8.300 nan 0.000 0.469 289 S N -0.423 115.350 115.700 0.120 0.000 2.400 289 S HA -0.014 3.577 4.470 -1.464 0.000 0.232 289 S C 0.505 175.167 174.600 0.102 0.000 1.025 289 S CA 0.979 59.231 58.200 0.087 0.000 0.993 289 S CB -0.512 62.729 63.200 0.069 0.000 0.808 289 S HN 0.809 nan 8.310 nan 0.000 0.478 290 S N -1.144 114.608 115.700 0.087 0.000 2.565 290 S HA 0.629 4.220 4.470 -1.464 0.000 0.269 290 S C -0.827 173.803 174.600 0.051 0.000 1.153 290 S CA -0.922 57.353 58.200 0.125 0.000 0.835 290 S CB 0.199 63.472 63.200 0.120 0.000 1.122 290 S HN 0.035 nan 8.310 nan 0.000 0.462 291 F N 2.591 122.644 119.950 0.172 0.000 2.645 291 F HA 0.307 3.955 4.527 -1.464 0.000 0.300 291 F C 1.560 177.541 175.800 0.302 0.000 1.115 291 F CA 0.103 58.221 58.000 0.197 0.000 1.355 291 F CB 0.180 39.260 39.000 0.134 0.000 1.026 291 F HN 0.740 nan 8.300 nan 0.000 0.536 292 S N -0.290 115.589 115.700 0.298 0.000 2.593 292 S HA 0.056 3.648 4.470 -1.464 0.000 0.269 292 S C 1.264 175.922 174.600 0.095 0.000 1.334 292 S CA -0.700 57.660 58.200 0.266 0.000 1.015 292 S CB 1.134 64.391 63.200 0.096 0.000 0.912 292 S HN 0.273 nan 8.310 nan 0.000 0.541 293 L N 2.132 123.256 121.223 -0.165 0.000 2.079 293 L HA 0.016 3.477 4.340 -1.464 0.000 0.210 293 L C 2.926 179.518 176.870 -0.464 0.000 1.081 293 L CA 2.708 57.085 54.840 -0.772 0.000 0.752 293 L CB -1.752 39.788 42.059 -0.865 0.000 0.896 293 L HN 1.038 nan 8.230 nan 0.000 0.433 294 E N -1.562 118.485 120.200 -0.255 0.000 2.051 294 E HA -0.223 3.248 4.350 -1.464 0.000 0.192 294 E C 2.096 178.594 176.600 -0.169 0.000 0.991 294 E CA 2.025 58.316 56.400 -0.181 0.000 0.799 294 E CB -1.554 28.088 29.700 -0.097 0.000 0.748 294 E HN 0.625 nan 8.360 nan 0.000 0.449 295 T N 0.134 114.601 114.554 -0.145 0.000 2.737 295 T HA -0.082 3.389 4.350 -1.464 0.000 0.265 295 T C 2.216 176.780 174.700 -0.227 0.000 1.038 295 T CA 1.438 63.462 62.100 -0.127 0.000 1.144 295 T CB -0.252 68.575 68.868 -0.068 0.000 0.866 295 T HN 0.260 nan 8.240 nan 0.000 0.434 296 V N 1.762 121.435 119.914 -0.402 0.000 2.407 296 V HA -0.143 3.099 4.120 -1.464 0.000 0.248 296 V C 2.860 178.680 176.094 -0.456 0.000 1.055 296 V CA 1.619 63.497 62.300 -0.705 0.000 1.049 296 V CB -1.171 30.142 31.823 -0.852 0.000 0.662 296 V HN 0.512 nan 8.190 nan 0.000 0.455 297 A N -0.616 121.969 122.820 -0.392 0.000 1.902 297 A HA -0.304 3.137 4.320 -1.464 0.000 0.217 297 A C 2.255 179.739 177.584 -0.167 0.000 1.181 297 A CA 2.121 53.988 52.037 -0.284 0.000 0.623 297 A CB -0.495 18.331 19.000 -0.290 0.000 0.818 297 A HN 0.604 nan 8.150 nan 0.000 0.443 298 Q N -0.336 119.380 119.800 -0.139 0.000 2.079 298 Q HA -0.190 3.272 4.340 -1.464 0.000 0.200 298 Q C 1.912 177.896 176.000 -0.027 0.000 0.974 298 Q CA 1.733 57.493 55.803 -0.070 0.000 0.840 298 Q CB -0.139 28.567 28.738 -0.054 0.000 0.898 298 Q HN 0.775 nan 8.270 nan 0.000 0.430 299 E N -0.150 120.045 120.200 -0.008 0.000 2.047 299 E HA -0.169 3.302 4.350 -1.464 0.000 0.191 299 E C 1.968 178.637 176.600 0.115 0.000 0.987 299 E CA 0.896 57.350 56.400 0.089 0.000 0.799 299 E CB 0.082 29.916 29.700 0.225 0.000 0.752 299 E HN 0.271 nan 8.360 nan 0.000 0.449 300 L N -0.047 121.227 121.223 0.085 0.000 2.131 300 L HA -0.060 3.402 4.340 -1.464 0.000 0.206 300 L C 2.074 178.965 176.870 0.035 0.000 1.087 300 L CA 1.403 56.299 54.840 0.093 0.000 0.767 300 L CB -0.073 42.003 42.059 0.029 0.000 0.917 300 L HN 0.083 nan 8.230 nan 0.000 0.441 301 L N -2.077 119.136 121.223 -0.016 0.000 2.701 301 L HA 0.411 3.872 4.340 -1.464 0.000 0.238 301 L C 1.279 178.141 176.870 -0.014 0.000 1.106 301 L CA 0.485 55.315 54.840 -0.018 0.000 0.898 301 L CB -0.064 41.965 42.059 -0.050 0.000 1.188 301 L HN 0.316 nan 8.230 nan 0.000 0.508 302 G N 1.262 110.054 108.800 -0.014 0.000 2.147 302 G HA2 -0.309 2.772 3.960 -1.464 0.000 0.244 302 G HA3 -0.309 2.772 3.960 -1.464 0.000 0.244 302 G C 0.040 174.926 174.900 -0.024 0.000 1.005 302 G CA 0.236 45.330 45.100 -0.010 0.000 0.713 302 G HN 0.382 nan 8.290 nan 0.000 0.515 303 E N 0.726 120.899 120.200 -0.044 0.000 2.316 303 E HA 0.518 3.989 4.350 -1.464 0.000 0.275 303 E C 1.213 177.788 176.600 -0.042 0.000 1.029 303 E CA 0.478 56.847 56.400 -0.051 0.000 0.871 303 E CB 0.305 29.956 29.700 -0.083 0.000 1.022 303 E HN 0.674 nan 8.360 nan 0.000 0.418 304 G N 4.634 113.417 108.800 -0.029 0.000 2.340 304 G HA2 -0.014 3.068 3.960 -1.464 0.000 0.245 304 G HA3 -0.014 3.068 3.960 -1.464 0.000 0.245 304 G C -0.090 174.795 174.900 -0.025 0.000 1.294 304 G CA -0.357 44.731 45.100 -0.020 0.000 0.896 304 G HN 0.494 nan 8.290 nan 0.000 0.522 305 K N 0.571 120.958 120.400 -0.022 0.000 2.118 305 K HA 0.379 3.820 4.320 -1.464 0.000 0.240 305 K C 0.213 176.807 176.600 -0.009 0.000 1.035 305 K CA -0.307 55.966 56.287 -0.023 0.000 0.899 305 K CB 0.955 33.444 32.500 -0.019 0.000 1.085 305 K HN 0.478 nan 8.250 nan 0.000 0.498 306 S N 0.720 116.418 115.700 -0.003 0.000 2.607 306 S HA 0.359 3.950 4.470 -1.464 0.000 0.303 306 S C 0.781 175.386 174.600 0.008 0.000 1.086 306 S CA -0.862 57.342 58.200 0.006 0.000 0.995 306 S CB 0.726 63.935 63.200 0.015 0.000 1.084 306 S HN 0.481 nan 8.310 nan 0.000 0.507 307 I N 2.074 122.650 120.570 0.011 0.000 3.735 307 I HA 0.153 3.445 4.170 -1.464 0.000 0.310 307 I C -0.049 176.080 176.117 0.020 0.000 1.270 307 I CA 0.299 61.608 61.300 0.014 0.000 1.207 307 I CB -1.203 36.804 38.000 0.013 0.000 1.013 307 I HN 0.521 nan 8.210 nan 0.000 0.452 308 D N 2.715 123.127 120.400 0.019 0.000 2.383 308 D HA 0.157 3.918 4.640 -1.464 0.000 0.252 308 D C 0.761 177.081 176.300 0.033 0.000 1.166 308 D CA 0.314 54.329 54.000 0.025 0.000 0.879 308 D CB 0.505 41.312 40.800 0.013 0.000 1.164 308 D HN 0.325 nan 8.370 nan 0.000 0.462 309 N N 3.094 121.830 118.700 0.060 0.000 2.379 309 N HA 0.190 4.051 4.740 -1.464 0.000 0.260 309 N C -1.435 174.102 175.510 0.045 0.000 1.254 309 N CA -1.038 52.059 53.050 0.078 0.000 0.958 309 N CB -0.165 nan 38.487 nan 0.000 1.208 309 N HN 0.199 nan 8.380 nan 0.000 0.532 310 P HA -0.138 nan 4.420 nan 0.000 0.216 310 P C 0.437 177.633 177.300 -0.173 0.000 1.150 310 P CA 1.475 64.470 63.100 -0.176 0.000 0.837 310 P CB -0.157 31.333 31.700 -0.350 0.000 0.786 311 W N 1.030 122.322 121.300 -0.012 0.000 2.358 311 W HA -0.108 3.673 4.660 -1.464 0.000 0.303 311 W C 2.012 178.525 176.519 -0.010 0.000 1.208 311 W CA 1.230 58.570 57.345 -0.009 0.000 1.274 311 W CB -1.419 28.040 29.460 -0.003 0.000 1.138 311 W HN -0.012 nan 8.180 nan 0.000 0.515 312 D N -0.615 119.917 120.400 0.220 0.000 2.183 312 D HA -0.138 3.623 4.640 -1.464 0.000 0.203 312 D C 2.072 178.400 176.300 0.047 0.000 0.969 312 D CA 1.018 55.087 54.000 0.114 0.000 0.842 312 D CB -0.146 40.703 40.800 0.082 0.000 0.957 312 D HN -0.122 nan 8.370 nan 0.000 0.484 313 R N 0.339 120.852 120.500 0.021 0.000 2.075 313 R HA -0.047 3.415 4.340 -1.464 0.000 0.232 313 R C 1.843 178.118 176.300 -0.042 0.000 1.126 313 R CA 1.090 57.169 56.100 -0.035 0.000 0.963 313 R CB -0.513 29.767 30.300 -0.035 0.000 0.858 313 R HN 0.094 nan 8.270 nan 0.000 0.435 314 M N 0.822 120.412 119.600 -0.017 0.000 2.117 314 M HA -0.086 3.515 4.480 -1.464 0.000 0.262 314 M C 0.913 177.238 176.300 0.043 0.000 1.065 314 M CA 1.820 57.120 55.300 -0.000 0.000 1.114 314 M CB -0.368 32.211 32.600 -0.034 0.000 1.361 314 M HN 0.135 nan 8.290 nan 0.000 0.408 315 D N -0.508 119.930 120.400 0.065 0.000 2.144 315 D HA -0.155 3.607 4.640 -1.464 0.000 0.200 315 D C 1.918 178.233 176.300 0.025 0.000 0.978 315 D CA 1.146 55.186 54.000 0.067 0.000 0.833 315 D CB -0.294 40.555 40.800 0.081 0.000 0.961 315 D HN 0.426 nan 8.370 nan 0.000 0.470 316 E N 0.915 121.106 120.200 -0.014 0.000 2.077 316 E HA -0.095 3.377 4.350 -1.464 0.000 0.193 316 E C 2.118 178.661 176.600 -0.096 0.000 0.989 316 E CA 0.616 56.978 56.400 -0.063 0.000 0.800 316 E CB -0.353 29.284 29.700 -0.105 0.000 0.746 316 E HN 0.282 nan 8.360 nan 0.000 0.452 317 I N 0.815 121.321 120.570 -0.106 0.000 2.226 317 I HA -0.250 3.041 4.170 -1.464 0.000 0.245 317 I C 1.746 177.834 176.117 -0.048 0.000 1.100 317 I CA 1.299 62.542 61.300 -0.095 0.000 1.374 317 I CB -0.231 37.766 38.000 -0.004 0.000 1.057 317 I HN 0.093 nan 8.210 nan 0.000 0.413 318 D N 0.446 120.865 120.400 0.032 0.000 2.097 318 D HA -0.210 3.551 4.640 -1.464 0.000 0.195 318 D C 2.195 178.517 176.300 0.037 0.000 0.989 318 D CA 1.116 55.158 54.000 0.069 0.000 0.827 318 D CB -0.324 40.555 40.800 0.132 0.000 0.966 318 D HN 0.252 nan 8.370 nan 0.000 0.456 319 R N 0.918 121.430 120.500 0.020 0.000 2.081 319 R HA -0.090 3.372 4.340 -1.464 0.000 0.235 319 R C 2.224 178.516 176.300 -0.014 0.000 1.131 319 R CA 1.095 57.200 56.100 0.009 0.000 0.960 319 R CB 0.059 30.359 30.300 -0.000 0.000 0.856 319 R HN 0.107 nan 8.270 nan 0.000 0.436 320 R N -0.585 119.895 120.500 -0.033 0.000 2.081 320 R HA -0.155 3.306 4.340 -1.464 0.000 0.235 320 R C 2.252 178.528 176.300 -0.040 0.000 1.131 320 R CA 1.665 57.743 56.100 -0.037 0.000 0.960 320 R CB -0.528 29.745 30.300 -0.045 0.000 0.856 320 R HN 0.246 nan 8.270 nan 0.000 0.436 321 F N 1.551 121.359 119.950 -0.237 0.000 2.134 321 F HA -0.137 3.511 4.527 -1.464 0.000 0.299 321 F C 2.275 177.984 175.800 -0.152 0.000 1.097 321 F CA 1.317 59.137 58.000 -0.299 0.000 1.264 321 F CB -0.261 38.256 39.000 -0.805 0.000 1.001 321 F HN -0.021 nan 8.300 nan 0.000 0.479 322 A N -0.395 122.396 122.820 -0.050 0.000 1.898 322 A HA -0.138 3.303 4.320 -1.464 0.000 0.216 322 A C 2.067 179.584 177.584 -0.113 0.000 1.181 322 A CA 2.021 54.020 52.037 -0.064 0.000 0.620 322 A CB -0.562 18.462 19.000 0.039 0.000 0.819 322 A HN 0.548 nan 8.150 nan 0.000 0.442 323 E N -1.968 118.182 120.200 -0.083 0.000 2.256 323 E HA 0.037 3.508 4.350 -1.464 0.000 0.198 323 E C -0.378 176.179 176.600 -0.070 0.000 0.908 323 E CA 0.386 56.745 56.400 -0.069 0.000 0.915 323 E CB 0.461 30.139 29.700 -0.037 0.000 0.890 323 E HN 0.327 nan 8.360 nan 0.000 0.484 324 D N 0.282 120.647 120.400 -0.059 0.000 2.412 324 D HA 0.150 3.911 4.640 -1.464 0.000 0.276 324 D C 0.112 176.406 176.300 -0.010 0.000 1.196 324 D CA -0.057 53.925 54.000 -0.029 0.000 0.905 324 D CB 0.471 41.265 40.800 -0.011 0.000 1.081 324 D HN -0.118 nan 8.370 nan 0.000 0.502 325 K N 1.004 121.395 120.400 -0.014 0.000 2.147 325 K HA -0.069 3.372 4.320 -1.464 0.000 0.205 325 K C -1.006 175.650 176.600 0.094 0.000 1.049 325 K CA 1.015 57.327 56.287 0.043 0.000 0.936 325 K CB -0.280 32.273 32.500 0.089 0.000 0.722 325 K HN 0.301 nan 8.250 nan 0.000 0.446 326 P HA -0.147 nan 4.420 nan 0.000 0.217 326 P C 1.006 178.384 177.300 0.129 0.000 1.150 326 P CA 1.469 64.624 63.100 0.093 0.000 0.832 326 P CB 0.058 31.787 31.700 0.048 0.000 0.787 327 A N -0.755 122.118 122.820 0.089 0.000 1.969 327 A HA -0.160 3.281 4.320 -1.464 0.000 0.218 327 A C 2.087 179.742 177.584 0.118 0.000 1.169 327 A CA 1.276 53.368 52.037 0.092 0.000 0.635 327 A CB -1.582 17.445 19.000 0.045 0.000 0.810 327 A HN 0.150 nan 8.150 nan 0.000 0.445 328 L N -0.290 120.996 121.223 0.106 0.000 2.056 328 L HA 0.011 3.473 4.340 -1.464 0.000 0.207 328 L C 2.609 179.592 176.870 0.190 0.000 1.078 328 L CA 2.098 57.020 54.840 0.136 0.000 0.749 328 L CB -0.786 41.344 42.059 0.118 0.000 0.901 328 L HN 0.312 nan 8.230 nan 0.000 0.433 329 A N -1.582 121.340 122.820 0.170 0.000 1.933 329 A HA -0.180 3.261 4.320 -1.464 0.000 0.218 329 A C 2.243 179.854 177.584 0.046 0.000 1.175 329 A CA 2.172 54.298 52.037 0.148 0.000 0.628 329 A CB -1.149 18.011 19.000 0.267 0.000 0.814 329 A HN 0.508 nan 8.150 nan 0.000 0.444 330 T N -1.585 113.086 114.554 0.195 0.000 2.746 330 T HA -0.154 3.317 4.350 -1.464 0.000 0.267 330 T C 1.789 176.487 174.700 -0.003 0.000 1.039 330 T CA 1.634 63.792 62.100 0.097 0.000 1.142 330 T CB -0.410 68.589 68.868 0.219 0.000 0.866 330 T HN 0.603 nan 8.240 nan 0.000 0.444 331 Y N 2.774 123.050 120.300 -0.040 0.000 2.145 331 Y HA -0.158 3.513 4.550 -1.464 0.000 0.286 331 Y C 2.443 178.289 175.900 -0.090 0.000 1.145 331 Y CA 1.511 59.578 58.100 -0.054 0.000 1.148 331 Y CB -0.562 37.886 38.460 -0.019 0.000 0.981 331 Y HN 0.107 nan 8.280 nan 0.000 0.507 332 N N 0.645 119.299 118.700 -0.076 0.000 2.084 332 N HA -0.195 3.666 4.740 -1.464 0.000 0.190 332 N C 1.804 177.140 175.510 -0.290 0.000 1.030 332 N CA 1.765 54.706 53.050 -0.180 0.000 0.849 332 N CB -0.682 37.788 38.487 -0.028 0.000 1.012 332 N HN 0.476 nan 8.380 nan 0.000 0.423 333 L N 1.181 122.189 121.223 -0.358 0.000 2.141 333 L HA 0.010 3.471 4.340 -1.464 0.000 0.209 333 L C 2.248 178.909 176.870 -0.348 0.000 1.094 333 L CA 1.599 56.177 54.840 -0.436 0.000 0.763 333 L CB -0.677 40.913 42.059 -0.782 0.000 0.908 333 L HN 0.195 nan 8.230 nan 0.000 0.437 334 K N -0.839 119.368 120.400 -0.322 0.000 2.097 334 K HA -0.181 3.261 4.320 -1.464 0.000 0.206 334 K C 1.812 178.239 176.600 -0.288 0.000 1.049 334 K CA 1.437 57.567 56.287 -0.261 0.000 0.933 334 K CB -0.050 32.323 32.500 -0.213 0.000 0.717 334 K HN 0.354 nan 8.250 nan 0.000 0.442 335 N N 0.697 119.173 118.700 -0.373 0.000 2.166 335 N HA -0.139 3.723 4.740 -1.464 0.000 0.186 335 N C 1.791 177.152 175.510 -0.248 0.000 1.019 335 N CA 1.257 54.098 53.050 -0.349 0.000 0.856 335 N CB -0.648 37.601 38.487 -0.397 0.000 0.993 335 N HN 0.276 nan 8.380 nan 0.000 0.426 336 C N 1.163 120.328 119.300 -0.225 0.000 2.432 336 C HA -0.046 3.535 4.460 -1.464 0.000 0.277 336 C C 2.483 177.384 174.990 -0.148 0.000 1.249 336 C CA 0.394 59.308 59.018 -0.173 0.000 1.725 336 C CB -0.865 26.760 27.740 -0.192 0.000 2.028 336 C HN 0.528 nan 8.230 nan 0.000 0.477 337 E N 0.565 120.670 120.200 -0.159 0.000 2.110 337 E HA -0.149 3.322 4.350 -1.464 0.000 0.193 337 E C 2.070 178.612 176.600 -0.096 0.000 0.988 337 E CA 0.924 57.259 56.400 -0.110 0.000 0.804 337 E CB -0.196 29.434 29.700 -0.117 0.000 0.745 337 E HN 0.640 nan 8.360 nan 0.000 0.458 338 L N 0.500 121.631 121.223 -0.153 0.000 2.083 338 L HA -0.166 3.295 4.340 -1.464 0.000 0.209 338 L C 2.456 179.226 176.870 -0.166 0.000 1.083 338 L CA 0.718 55.450 54.840 -0.180 0.000 0.752 338 L CB -0.398 41.499 42.059 -0.270 0.000 0.899 338 L HN 0.061 nan 8.230 nan 0.000 0.433 339 V N -0.622 119.203 119.914 -0.147 0.000 2.307 339 V HA -0.263 2.979 4.120 -1.464 0.000 0.245 339 V C 2.556 178.693 176.094 0.072 0.000 1.045 339 V CA 2.292 64.582 62.300 -0.016 0.000 1.024 339 V CB -0.734 31.104 31.823 0.025 0.000 0.651 339 V HN 0.457 nan 8.190 nan 0.000 0.449 340 T N -0.815 113.736 114.554 -0.006 0.000 2.746 340 T HA -0.219 3.252 4.350 -1.464 0.000 0.267 340 T C 2.013 176.815 174.700 0.171 0.000 1.039 340 T CA 1.325 63.461 62.100 0.060 0.000 1.142 340 T CB -0.259 68.668 68.868 0.098 0.000 0.866 340 T HN 0.360 nan 8.240 nan 0.000 0.444 341 Q N 0.498 120.380 119.800 0.136 0.000 2.084 341 Q HA 0.051 3.513 4.340 -1.464 0.000 0.202 341 Q C 2.434 178.512 176.000 0.130 0.000 0.978 341 Q CA 1.181 57.077 55.803 0.154 0.000 0.844 341 Q CB -0.630 28.136 28.738 0.047 0.000 0.898 341 Q HN 0.540 nan 8.270 nan 0.000 0.426 342 I N -0.225 120.383 120.570 0.062 0.000 2.226 342 I HA -0.265 3.026 4.170 -1.464 0.000 0.245 342 I C 2.041 178.177 176.117 0.032 0.000 1.100 342 I CA 1.026 62.323 61.300 -0.004 0.000 1.374 342 I CB -0.289 37.664 38.000 -0.078 0.000 1.057 342 I HN 0.066 nan 8.210 nan 0.000 0.413 343 F N 0.154 120.058 119.950 -0.077 0.000 2.095 343 F HA -0.285 3.364 4.527 -1.464 0.000 0.298 343 F C 2.739 178.548 175.800 0.016 0.000 1.104 343 F CA 1.494 59.427 58.000 -0.112 0.000 1.232 343 F CB -0.382 38.454 39.000 -0.273 0.000 0.987 343 F HN 0.148 nan 8.300 nan 0.000 0.475 344 H N -0.155 119.153 119.070 0.396 0.000 2.326 344 H HA -0.134 3.543 4.556 -1.464 0.000 0.301 344 H C 2.207 177.619 175.328 0.140 0.000 1.081 344 H CA 1.427 57.642 56.048 0.277 0.000 1.334 344 H CB -0.520 29.355 29.762 0.189 0.000 1.385 344 H HN 0.224 nan 8.280 nan 0.000 0.504 345 K N 0.628 121.149 120.400 0.202 0.000 2.097 345 K HA -0.107 3.334 4.320 -1.464 0.000 0.206 345 K C 1.923 178.559 176.600 0.060 0.000 1.049 345 K CA 1.728 58.080 56.287 0.109 0.000 0.933 345 K CB 0.111 32.645 32.500 0.057 0.000 0.717 345 K HN 0.388 nan 8.250 nan 0.000 0.442 346 T N -1.630 112.859 114.554 -0.109 0.000 3.113 346 T HA 0.040 3.511 4.350 -1.464 0.000 0.256 346 T C 0.033 174.777 174.700 0.072 0.000 1.131 346 T CA 0.320 62.269 62.100 -0.251 0.000 1.074 346 T CB -0.165 68.128 68.868 -0.959 0.000 0.944 346 T HN 0.334 nan 8.240 nan 0.000 0.516 347 E N -0.269 120.010 120.200 0.131 0.000 2.440 347 E HA -0.222 3.250 4.350 -1.464 0.000 0.246 347 E C 0.592 177.311 176.600 0.198 0.000 1.165 347 E CA 0.419 56.947 56.400 0.212 0.000 0.726 347 E CB -1.807 28.029 29.700 0.227 0.000 1.271 347 E HN 0.489 nan 8.360 nan 0.000 0.397 348 I N -0.020 120.589 120.570 0.065 0.000 2.286 348 I HA -0.257 3.035 4.170 -1.464 0.000 0.248 348 I C 2.135 178.345 176.117 0.156 0.000 1.115 348 I CA 1.556 62.858 61.300 0.003 0.000 1.392 348 I CB -0.035 37.736 38.000 -0.382 0.000 1.065 348 I HN 0.234 nan 8.210 nan 0.000 0.418 349 M N 0.186 119.897 119.600 0.186 0.000 2.086 349 M HA -0.071 3.530 4.480 -1.464 0.000 0.261 349 M C -0.101 176.315 176.300 0.193 0.000 1.067 349 M CA 1.860 57.284 55.300 0.207 0.000 1.116 349 M CB -2.502 30.288 32.600 0.317 0.000 1.348 349 M HN 0.093 nan 8.290 nan 0.000 0.407 350 P HA -0.153 nan 4.420 nan 0.000 0.217 350 P C 1.654 179.055 177.300 0.169 0.000 1.150 350 P CA 1.052 64.242 63.100 0.150 0.000 0.832 350 P CB -0.343 31.456 31.700 0.165 0.000 0.787 351 F N 0.356 120.361 119.950 0.092 0.000 2.102 351 F HA -0.181 3.468 4.527 -1.465 0.000 0.298 351 F C 1.865 177.715 175.800 0.083 0.000 1.105 351 F CA 1.565 59.622 58.000 0.095 0.000 1.239 351 F CB -0.931 38.136 39.000 0.111 0.000 0.991 351 F HN -0.261 nan 8.300 nan 0.000 0.474 352 L N -0.086 121.227 121.223 0.149 0.000 2.141 352 L HA -0.213 3.249 4.340 -1.464 0.000 0.209 352 L C 2.460 179.323 176.870 -0.011 0.000 1.094 352 L CA 0.955 55.810 54.840 0.026 0.000 0.763 352 L CB -0.732 41.429 42.059 0.170 0.000 0.908 352 L HN 0.275 nan 8.230 nan 0.000 0.437 353 L N -0.768 120.458 121.223 0.005 0.000 2.027 353 L HA -0.160 3.301 4.340 -1.464 0.000 0.206 353 L C 2.744 179.659 176.870 0.075 0.000 1.074 353 L CA 0.961 55.805 54.840 0.006 0.000 0.745 353 L CB -0.487 41.452 42.059 -0.200 0.000 0.898 353 L HN 0.224 nan 8.230 nan 0.000 0.433 354 E N 0.010 120.202 120.200 -0.013 0.000 2.077 354 E HA -0.219 3.252 4.350 -1.464 0.000 0.193 354 E C 2.177 178.734 176.600 -0.071 0.000 0.989 354 E CA 0.958 57.349 56.400 -0.014 0.000 0.800 354 E CB -0.232 29.449 29.700 -0.032 0.000 0.746 354 E HN 0.356 nan 8.360 nan 0.000 0.452 355 R N 0.489 120.851 120.500 -0.230 0.000 2.081 355 R HA -0.068 3.393 4.340 -1.464 0.000 0.235 355 R C 2.173 178.428 176.300 -0.074 0.000 1.131 355 R CA 1.302 57.258 56.100 -0.239 0.000 0.960 355 R CB -0.117 29.898 30.300 -0.476 0.000 0.856 355 R HN 0.130 nan 8.270 nan 0.000 0.436 356 A N -0.078 122.735 122.820 -0.012 0.000 1.898 356 A HA -0.110 3.331 4.320 -1.464 0.000 0.216 356 A C 2.112 179.711 177.584 0.026 0.000 1.181 356 A CA 1.903 53.959 52.037 0.031 0.000 0.620 356 A CB -0.790 18.279 19.000 0.116 0.000 0.819 356 A HN 0.430 nan 8.150 nan 0.000 0.442 357 T N -0.415 114.188 114.554 0.083 0.000 2.803 357 T HA -0.111 3.361 4.350 -1.464 0.000 0.269 357 T C 1.808 176.537 174.700 0.048 0.000 1.052 357 T CA 1.617 63.756 62.100 0.064 0.000 1.136 357 T CB -0.290 68.660 68.868 0.136 0.000 0.864 357 T HN 0.172 nan 8.240 nan 0.000 0.467 358 V N 3.123 123.062 119.914 0.042 0.000 2.346 358 V HA -0.075 3.166 4.120 -1.464 0.000 0.244 358 V C 2.348 178.486 176.094 0.075 0.000 1.037 358 V CA 1.632 63.968 62.300 0.059 0.000 1.029 358 V CB -0.492 31.354 31.823 0.038 0.000 0.663 358 V HN 0.621 nan 8.190 nan 0.000 0.454 359 N N 0.623 119.350 118.700 0.046 0.000 2.412 359 N HA 0.103 3.965 4.740 -1.464 0.000 0.184 359 N C 1.460 176.953 175.510 -0.029 0.000 1.101 359 N CA 1.109 54.202 53.050 0.072 0.000 0.881 359 N CB 0.411 38.949 38.487 0.084 0.000 0.969 359 N HN 0.465 nan 8.380 nan 0.000 0.459 360 G N -0.042 108.669 108.800 -0.147 0.000 2.184 360 G HA2 -0.268 2.813 3.960 -1.464 0.000 0.264 360 G HA3 -0.268 2.813 3.960 -1.464 0.000 0.264 360 G C -0.176 174.393 174.900 -0.551 0.000 0.975 360 G CA 0.703 45.491 45.100 -0.520 0.000 0.642 360 G HN 0.371 nan 8.290 nan 0.000 0.536 361 L N 0.289 121.372 121.223 -0.233 0.000 2.416 361 L HA 0.519 3.980 4.340 -1.464 0.000 0.262 361 L C -1.777 175.041 176.870 -0.088 0.000 1.093 361 L CA -2.442 52.315 54.840 -0.139 0.000 0.801 361 L CB 0.672 42.696 42.059 -0.059 0.000 1.191 361 L HN -0.164 nan 8.230 nan 0.000 0.459 362 P HA -0.007 nan 4.420 nan 0.000 0.269 362 P C 0.829 178.125 177.300 -0.007 0.000 1.215 362 P CA -0.235 62.851 63.100 -0.024 0.000 0.780 362 P CB 0.672 32.346 31.700 -0.044 0.000 0.898 363 V N 1.600 121.550 119.914 0.060 0.000 2.392 363 V HA -0.234 3.008 4.120 -1.464 0.000 0.249 363 V C 1.300 177.389 176.094 -0.008 0.000 1.059 363 V CA 2.466 64.813 62.300 0.078 0.000 1.051 363 V CB -1.183 30.733 31.823 0.155 0.000 0.658 363 V HN 0.676 nan 8.190 nan 0.000 0.455 364 D N -0.317 120.046 120.400 -0.061 0.000 2.370 364 D HA 0.025 3.787 4.640 -1.464 0.000 0.230 364 D C 0.809 176.896 176.300 -0.355 0.000 1.143 364 D CA -0.132 53.760 54.000 -0.179 0.000 0.834 364 D CB -0.330 40.412 40.800 -0.097 0.000 0.944 364 D HN 0.400 nan 8.370 nan 0.000 0.504 365 R N 0.837 121.166 120.500 -0.285 0.000 2.265 365 R HA 0.221 3.682 4.340 -1.464 0.000 0.328 365 R C -0.722 175.450 176.300 -0.213 0.000 0.969 365 R CA -0.550 55.392 56.100 -0.264 0.000 0.832 365 R CB 0.511 30.721 30.300 -0.149 0.000 1.139 365 R HN 0.031 nan 8.270 nan 0.000 0.457 366 H N 2.410 121.503 119.070 0.040 0.000 2.496 366 H HA 0.399 4.076 4.556 -1.465 0.000 0.342 366 H C 1.110 176.475 175.328 0.062 0.000 1.170 366 H CA 0.349 56.425 56.048 0.047 0.000 1.274 366 H CB 1.763 31.547 29.762 0.037 0.000 1.538 366 H HN 0.931 nan 8.280 nan 0.000 0.542 367 G N 0.851 109.776 108.800 0.208 0.000 2.561 367 G HA2 -0.221 2.861 3.960 -1.464 0.000 0.289 367 G HA3 -0.221 2.861 3.960 -1.464 0.000 0.289 367 G C 0.805 175.793 174.900 0.147 0.000 1.169 367 G CA 0.700 45.898 45.100 0.164 0.000 0.980 367 G HN 1.603 nan 8.290 nan 0.000 0.550 368 G N -1.623 107.261 108.800 0.141 0.000 2.246 368 G HA2 -0.004 3.077 3.960 -1.464 0.000 0.273 368 G HA3 -0.004 3.077 3.960 -1.464 0.000 0.273 368 G C 1.314 176.321 174.900 0.179 0.000 1.055 368 G CA 1.446 46.625 45.100 0.132 0.000 0.851 368 G HN 1.819 nan 8.290 nan 0.000 0.500 369 S N -1.192 114.632 115.700 0.206 0.000 2.374 369 S HA -0.166 3.425 4.470 -1.464 0.000 0.227 369 S C 2.607 177.398 174.600 0.318 0.000 1.037 369 S CA 1.609 59.981 58.200 0.287 0.000 1.024 369 S CB -0.099 63.255 63.200 0.257 0.000 0.861 369 S HN 0.572 nan 8.310 nan 0.000 0.456 370 V N 1.820 121.865 119.914 0.218 0.000 2.295 370 V HA -0.192 3.050 4.120 -1.464 0.000 0.246 370 V C 2.636 178.861 176.094 0.217 0.000 1.049 370 V CA 1.744 64.154 62.300 0.184 0.000 1.024 370 V CB -1.228 30.665 31.823 0.116 0.000 0.648 370 V HN 0.549 nan 8.190 nan 0.000 0.447 371 A N -0.090 122.833 122.820 0.172 0.000 1.933 371 A HA -0.084 3.357 4.320 -1.464 0.000 0.218 371 A C 2.400 180.095 177.584 0.185 0.000 1.175 371 A CA 2.036 54.156 52.037 0.138 0.000 0.628 371 A CB -0.725 18.325 19.000 0.083 0.000 0.814 371 A HN 0.569 nan 8.150 nan 0.000 0.444 372 A N -1.226 121.732 122.820 0.231 0.000 1.898 372 A HA -0.030 3.411 4.320 -1.464 0.000 0.216 372 A C 2.062 179.822 177.584 0.293 0.000 1.181 372 A CA 1.442 53.638 52.037 0.266 0.000 0.620 372 A CB -0.721 18.471 19.000 0.321 0.000 0.819 372 A HN 0.648 nan 8.150 nan 0.000 0.442 373 F N 1.032 121.046 119.950 0.107 0.000 2.095 373 F HA -0.100 3.544 4.527 -1.472 0.000 0.298 373 F C 2.359 178.164 175.800 0.009 0.000 1.104 373 F CA 1.711 59.566 58.000 -0.242 0.000 1.232 373 F CB -0.497 38.337 39.000 -0.276 0.000 0.987 373 F HN 0.243 nan 8.300 nan 0.000 0.475 374 G N -0.821 108.261 108.800 0.470 0.000 2.446 374 G HA2 -0.329 2.752 3.960 -1.464 0.000 0.217 374 G HA3 -0.329 2.752 3.960 -1.464 0.000 0.217 374 G C 1.735 176.684 174.900 0.082 0.000 1.168 374 G CA 1.075 46.408 45.100 0.389 0.000 0.771 374 G HN 0.501 nan 8.290 nan 0.000 0.551 375 H N 0.721 119.766 119.070 -0.042 0.000 2.319 375 H HA 0.007 3.684 4.556 -1.465 0.000 0.299 375 H C 2.605 177.927 175.328 -0.010 0.000 1.092 375 H CA 1.591 57.597 56.048 -0.069 0.000 1.302 375 H CB -0.097 29.653 29.762 -0.020 0.000 1.373 375 H HN 0.301 nan 8.280 nan 0.000 0.497 376 L N -0.948 120.375 121.223 0.166 0.000 2.131 376 L HA -0.163 3.298 4.340 -1.464 0.000 0.206 376 L C 2.527 179.397 176.870 0.001 0.000 1.087 376 L CA 0.824 55.719 54.840 0.091 0.000 0.767 376 L CB -0.658 41.448 42.059 0.077 0.000 0.917 376 L HN 0.187 nan 8.230 nan 0.000 0.441 377 Y N 0.197 120.397 120.300 -0.167 0.000 2.163 377 Y HA -0.229 3.439 4.550 -1.470 0.000 0.288 377 Y C 2.420 178.335 175.900 0.025 0.000 1.136 377 Y CA 1.242 59.244 58.100 -0.164 0.000 1.147 377 Y CB -0.260 38.041 38.460 -0.265 0.000 0.987 377 Y HN -0.075 nan 8.280 nan 0.000 0.509 378 F N 0.869 120.779 119.950 -0.066 0.000 2.045 378 F HA -0.276 3.373 4.527 -1.463 0.000 0.297 378 F C -0.182 175.331 175.800 -0.479 0.000 1.114 378 F CA 2.040 59.880 58.000 -0.266 0.000 1.207 378 F CB -2.334 36.577 39.000 -0.147 0.000 0.964 378 F HN 0.131 nan 8.300 nan 0.000 0.486 379 P HA -0.187 nan 4.420 nan 0.000 0.216 379 P C 1.413 178.599 177.300 -0.190 0.000 1.150 379 P CA 1.956 64.861 63.100 -0.324 0.000 0.837 379 P CB -0.178 30.957 31.700 -0.941 0.000 0.786 380 R N -1.071 119.322 120.500 -0.179 0.000 2.090 380 R HA 0.062 3.523 4.340 -1.464 0.000 0.228 380 R C 2.721 178.877 176.300 -0.239 0.000 1.110 380 R CA 1.071 57.098 56.100 -0.122 0.000 0.973 380 R CB -0.797 29.403 30.300 -0.168 0.000 0.869 380 R HN 0.187 nan 8.270 nan 0.000 0.440 381 M N 0.029 119.371 119.600 -0.431 0.000 2.117 381 M HA -0.197 3.404 4.480 -1.464 0.000 0.262 381 M C 1.533 177.772 176.300 -0.101 0.000 1.065 381 M CA 1.905 57.012 55.300 -0.321 0.000 1.114 381 M CB -0.096 32.307 32.600 -0.328 0.000 1.361 381 M HN 0.292 nan 8.290 nan 0.000 0.408 382 H N -0.623 118.396 119.070 -0.086 0.000 2.357 382 H HA -0.055 3.623 4.556 -1.463 0.000 0.301 382 H C 2.080 177.372 175.328 -0.061 0.000 1.082 382 H CA 0.929 56.926 56.048 -0.086 0.000 1.342 382 H CB 0.047 29.760 29.762 -0.081 0.000 1.389 382 H HN 0.294 nan 8.280 nan 0.000 0.511 383 R N 0.730 121.278 120.500 0.080 0.000 2.120 383 R HA -0.020 3.441 4.340 -1.464 0.000 0.234 383 R C 2.161 178.470 176.300 0.015 0.000 1.123 383 R CA 0.967 57.099 56.100 0.054 0.000 0.975 383 R CB -0.593 29.754 30.300 0.078 0.000 0.866 383 R HN 0.320 nan 8.270 nan 0.000 0.446 384 A N -0.129 122.699 122.820 0.014 0.000 2.235 384 A HA 0.259 3.700 4.320 -1.464 0.000 0.208 384 A C 1.292 178.887 177.584 0.018 0.000 1.172 384 A CA 0.930 52.986 52.037 0.032 0.000 0.786 384 A CB -0.105 18.928 19.000 0.056 0.000 0.804 384 A HN 0.427 nan 8.150 nan 0.000 0.479 385 G N -2.733 106.034 108.800 -0.054 0.000 2.131 385 G HA2 -0.235 2.847 3.960 -1.464 0.000 0.223 385 G HA3 -0.235 2.847 3.960 -1.464 0.000 0.223 385 G C -0.232 174.380 174.900 -0.480 0.000 0.990 385 G CA 0.270 45.218 45.100 -0.254 0.000 0.671 385 G HN 0.452 nan 8.290 nan 0.000 0.521 386 Y N -1.087 119.192 120.300 -0.036 0.000 2.536 386 Y HA 0.643 4.325 4.550 -1.446 0.000 0.347 386 Y C 0.484 176.399 175.900 0.025 0.000 1.000 386 Y CA -0.649 57.445 58.100 -0.009 0.000 1.051 386 Y CB 2.314 40.782 38.460 0.013 0.000 1.259 386 Y HN 0.580 nan 8.280 nan 0.000 0.468 387 V N -0.342 119.625 119.914 0.088 0.000 2.769 387 V HA 0.956 4.197 4.120 -1.464 0.000 0.312 387 V C 0.062 176.062 176.094 -0.158 0.000 1.058 387 V CA -1.343 60.882 62.300 -0.125 0.000 0.952 387 V CB 1.204 32.699 31.823 -0.547 0.000 1.019 387 V HN 0.953 nan 8.190 nan 0.000 0.445 388 A N 4.880 127.521 122.820 -0.299 0.000 2.498 388 A HA 0.603 4.045 4.320 -1.464 0.000 0.239 388 A C -1.932 175.345 177.584 -0.511 0.000 1.068 388 A CA -0.848 50.902 52.037 -0.478 0.000 0.766 388 A CB -0.547 18.125 19.000 -0.546 0.000 1.003 388 A HN 0.867 nan 8.150 nan 0.000 0.497 389 P HA 0.180 nan 4.420 nan 0.000 0.276 389 P C -0.603 176.607 177.300 -0.149 0.000 1.252 389 P CA -0.468 62.402 63.100 -0.383 0.000 0.802 389 P CB 0.715 32.074 31.700 -0.568 0.000 1.035 390 N N -0.706 118.040 118.700 0.076 0.000 2.447 390 N HA 0.351 4.212 4.740 -1.464 0.000 0.271 390 N C -0.130 175.362 175.510 -0.030 0.000 1.226 390 N CA -0.823 52.243 53.050 0.027 0.000 0.980 390 N CB 0.296 38.814 38.487 0.051 0.000 1.206 390 N HN 0.296 nan 8.380 nan 0.000 0.558 391 L N 0.124 121.329 121.223 -0.030 0.000 2.452 391 L HA 0.235 3.697 4.340 -1.464 0.000 0.267 391 L C 1.422 178.291 176.870 -0.001 0.000 1.188 391 L CA 0.133 54.954 54.840 -0.031 0.000 0.821 391 L CB 0.345 42.378 42.059 -0.043 0.000 1.102 391 L HN 0.916 nan 8.230 nan 0.000 0.470 392 G N 0.859 109.665 108.800 0.011 0.000 2.159 392 G HA2 -0.253 2.828 3.960 -1.464 0.000 0.256 392 G HA3 -0.253 2.828 3.960 -1.464 0.000 0.256 392 G C 0.659 175.604 174.900 0.074 0.000 0.977 392 G CA 0.395 45.512 45.100 0.029 0.000 0.652 392 G HN 0.776 nan 8.290 nan 0.000 0.531 393 E N -0.917 119.346 120.200 0.105 0.000 2.385 393 E HA 0.259 3.731 4.350 -1.464 0.000 0.194 393 E C 0.423 177.122 176.600 0.165 0.000 1.013 393 E CA 0.563 57.051 56.400 0.147 0.000 0.866 393 E CB 0.665 30.478 29.700 0.187 0.000 0.832 393 E HN 0.356 nan 8.360 nan 0.000 0.500 394 V N 2.933 122.963 119.914 0.194 0.000 2.444 394 V HA 0.231 3.472 4.120 -1.464 0.000 0.294 394 V C -2.387 173.880 176.094 0.287 0.000 1.022 394 V CA -2.144 60.279 62.300 0.205 0.000 0.850 394 V CB 1.525 33.438 31.823 0.150 0.000 0.992 394 V HN -0.031 nan 8.190 nan 0.000 0.426 395 P HA 0.194 nan 4.420 nan 0.000 0.265 395 P C -2.602 174.892 177.300 0.324 0.000 1.193 395 P CA -0.778 62.445 63.100 0.204 0.000 0.765 395 P CB -0.161 31.626 31.700 0.144 0.000 0.823 396 P HA 0.093 nan 4.420 nan 0.000 0.268 396 P C -0.623 176.872 177.300 0.325 0.000 1.204 396 P CA 0.722 63.997 63.100 0.291 0.000 0.768 396 P CB 0.370 32.114 31.700 0.074 0.000 0.842 397 H N 1.387 120.615 119.070 0.263 0.000 3.137 397 H HA 0.470 4.155 4.556 -1.451 0.000 0.336 397 H C -1.291 174.140 175.328 0.171 0.000 1.055 397 H CA -0.671 55.474 56.048 0.160 0.000 1.349 397 H CB 1.519 31.351 29.762 0.116 0.000 1.939 397 H HN 0.439 nan 8.280 nan 0.000 0.487 398 A N 3.410 126.186 122.820 -0.073 0.000 2.407 398 A HA 0.485 3.926 4.320 -1.464 0.000 0.248 398 A C -0.172 177.504 177.584 0.152 0.000 1.082 398 A CA -0.054 52.013 52.037 0.050 0.000 0.785 398 A CB 0.384 19.370 19.000 -0.023 0.000 1.020 398 A HN 0.564 nan 8.150 nan 0.000 0.489 399 S N 2.162 117.967 115.700 0.175 0.000 2.503 399 S HA 0.666 4.257 4.470 -1.464 0.000 0.301 399 S C -2.364 172.319 174.600 0.137 0.000 1.087 399 S CA -0.818 57.482 58.200 0.167 0.000 1.042 399 S CB 1.343 64.639 63.200 0.160 0.000 1.043 399 S HN 0.768 nan 8.310 nan 0.000 0.489 400 P HA 0.308 nan 4.420 nan 0.000 0.272 400 P C 0.301 177.704 177.300 0.172 0.000 1.230 400 P CA -0.285 62.904 63.100 0.147 0.000 0.788 400 P CB 0.403 32.212 31.700 0.181 0.000 0.949 401 G N 0.222 109.157 108.800 0.225 0.000 2.773 401 G HA2 0.532 3.614 3.960 -1.464 0.000 0.186 401 G HA3 0.532 3.614 3.960 -1.464 0.000 0.186 401 G C 0.065 175.181 174.900 0.359 0.000 1.411 401 G CA -0.422 44.836 45.100 0.264 0.000 1.054 401 G HN 0.664 nan 8.290 nan 0.000 0.579 402 G N -1.829 107.169 108.800 0.330 0.000 2.539 402 G HA2 0.403 3.485 3.960 -1.464 0.000 0.258 402 G HA3 0.403 3.485 3.960 -1.464 0.000 0.258 402 G C -1.197 173.904 174.900 0.336 0.000 1.202 402 G CA -0.285 45.035 45.100 0.366 0.000 0.851 402 G HN 0.490 nan 8.290 nan 0.000 0.556 403 Y N 1.539 121.945 120.300 0.177 0.000 2.341 403 Y HA 0.489 4.161 4.550 -1.464 0.000 0.340 403 Y C -0.425 175.466 175.900 -0.014 0.000 0.997 403 Y CA -1.128 56.939 58.100 -0.055 0.000 1.149 403 Y CB 1.221 39.596 38.460 -0.143 0.000 1.171 403 Y HN 0.251 nan 8.280 nan 0.000 0.494 404 V N 8.387 128.026 119.914 -0.459 0.000 2.357 404 V HA 0.258 3.499 4.120 -1.464 0.000 0.284 404 V C 0.272 175.964 176.094 -0.670 0.000 1.018 404 V CA -0.921 61.092 62.300 -0.479 0.000 0.841 404 V CB 0.930 32.676 31.823 -0.128 0.000 0.991 404 V HN 0.869 nan 8.190 nan 0.000 0.437 405 M N 3.407 122.557 119.600 -0.751 0.000 2.249 405 M HA 0.126 3.727 4.480 -1.464 0.000 0.340 405 M C 0.193 176.464 176.300 -0.048 0.000 1.166 405 M CA 0.304 55.349 55.300 -0.425 0.000 1.115 405 M CB 0.139 32.578 32.600 -0.268 0.000 1.606 405 M HN 0.571 nan 8.290 nan 0.000 0.448 406 D N 1.759 122.181 120.400 0.036 0.000 2.382 406 D HA 0.157 3.919 4.640 -1.464 0.000 0.245 406 D C -0.080 176.290 176.300 0.118 0.000 1.120 406 D CA 0.234 54.285 54.000 0.085 0.000 0.890 406 D CB 0.945 41.795 40.800 0.083 0.000 1.201 406 D HN 0.594 nan 8.370 nan 0.000 0.433 407 S N 1.517 117.274 115.700 0.096 0.000 2.608 407 S HA 0.408 3.999 4.470 -1.464 0.000 0.291 407 S C -0.022 174.601 174.600 0.038 0.000 1.146 407 S CA -1.035 57.200 58.200 0.057 0.000 1.043 407 S CB 2.255 65.371 63.200 -0.140 0.000 1.037 407 S HN 0.443 nan 8.310 nan 0.000 0.520 408 R N 2.416 122.945 120.500 0.049 0.000 2.198 408 R HA 0.393 3.854 4.340 -1.464 0.000 0.339 408 R C -2.564 173.788 176.300 0.086 0.000 1.020 408 R CA -2.015 54.135 56.100 0.083 0.000 0.864 408 R CB 0.593 30.970 30.300 0.129 0.000 1.105 408 R HN 0.518 nan 8.270 nan 0.000 0.463 409 P HA 0.306 nan 4.420 nan 0.000 0.272 409 P C -0.334 176.933 177.300 -0.054 0.000 1.230 409 P CA 0.143 63.272 63.100 0.048 0.000 0.788 409 P CB 1.381 33.186 31.700 0.174 0.000 0.949 410 G N 0.196 108.714 108.800 -0.469 0.000 2.368 410 G HA2 0.296 3.378 3.960 -1.464 0.000 0.302 410 G HA3 0.296 3.378 3.960 -1.464 0.000 0.302 410 G C -2.409 171.830 174.900 -1.101 0.000 1.329 410 G CA -0.733 43.821 45.100 -0.910 0.000 0.935 410 G HN 0.643 nan 8.290 nan 0.000 0.590 411 L N 0.633 121.300 121.223 -0.927 0.000 2.298 411 L HA 0.875 4.336 4.340 -1.464 0.000 0.284 411 L C -1.179 175.413 176.870 -0.464 0.000 1.013 411 L CA -1.336 53.184 54.840 -0.534 0.000 0.824 411 L CB 0.443 42.292 42.059 -0.350 0.000 1.221 411 L HN 0.584 nan 8.230 nan 0.000 0.418 412 Y N 2.799 122.991 120.300 -0.181 0.000 2.621 412 Y HA 0.512 4.184 4.550 -1.464 0.000 0.334 412 Y C 0.447 176.357 175.900 0.018 0.000 1.074 412 Y CA -0.768 57.261 58.100 -0.118 0.000 1.149 412 Y CB 1.356 39.684 38.460 -0.220 0.000 1.302 412 Y HN 0.546 nan 8.280 nan 0.000 0.501 413 D N -0.442 120.142 120.400 0.306 0.000 2.432 413 D HA 0.085 3.846 4.640 -1.464 0.000 0.270 413 D C -0.250 176.200 176.300 0.251 0.000 1.256 413 D CA 0.370 54.514 54.000 0.239 0.000 1.022 413 D CB -0.415 40.539 40.800 0.257 0.000 0.916 413 D HN 0.321 nan 8.370 nan 0.000 0.253 414 S N 0.120 116.015 115.700 0.324 0.000 2.488 414 S HA 0.359 3.950 4.470 -1.464 0.000 0.278 414 S C -0.225 174.528 174.600 0.255 0.000 1.259 414 S CA -0.300 58.097 58.200 0.329 0.000 1.061 414 S CB 0.554 63.972 63.200 0.363 0.000 0.910 414 S HN 0.046 nan 8.310 nan 0.000 0.491 415 V N 5.750 125.747 119.914 0.139 0.000 2.686 415 V HA 0.442 3.683 4.120 -1.464 0.000 0.306 415 V C -0.474 175.602 176.094 -0.029 0.000 1.065 415 V CA -0.717 61.550 62.300 -0.055 0.000 0.894 415 V CB 1.751 33.296 31.823 -0.463 0.000 1.004 415 V HN 0.705 nan 8.190 nan 0.000 0.424 416 L N 4.492 125.658 121.223 -0.094 0.000 2.331 416 L HA 0.724 4.186 4.340 -1.464 0.000 0.275 416 L C -0.695 176.006 176.870 -0.281 0.000 1.022 416 L CA -1.000 53.779 54.840 -0.102 0.000 0.812 416 L CB 2.003 44.019 42.059 -0.072 0.000 1.257 416 L HN 0.329 nan 8.230 nan 0.000 0.435 417 V N 4.141 123.836 119.914 -0.364 0.000 2.357 417 V HA 0.419 3.660 4.120 -1.464 0.000 0.284 417 V C -0.065 175.812 176.094 -0.362 0.000 1.018 417 V CA -0.400 61.549 62.300 -0.585 0.000 0.841 417 V CB 1.559 32.944 31.823 -0.730 0.000 0.991 417 V HN 0.488 nan 8.190 nan 0.000 0.437 418 L N 4.564 125.606 121.223 -0.302 0.000 2.313 418 L HA 0.686 4.147 4.340 -1.464 0.000 0.283 418 L C -0.526 176.202 176.870 -0.237 0.000 1.013 418 L CA -0.225 54.490 54.840 -0.207 0.000 0.816 418 L CB 1.728 43.690 42.059 -0.161 0.000 1.236 418 L HN 0.568 nan 8.230 nan 0.000 0.419 419 D N 2.005 122.270 120.400 -0.225 0.000 2.787 419 D HA 0.239 4.000 4.640 -1.464 0.000 0.246 419 D C -1.038 175.171 176.300 -0.152 0.000 1.150 419 D CA -0.469 53.435 54.000 -0.160 0.000 0.864 419 D CB 1.730 42.448 40.800 -0.136 0.000 1.481 419 D HN 0.198 nan 8.370 nan 0.000 0.509 420 Y N 1.709 122.000 120.300 -0.015 0.000 2.480 420 Y HA 0.033 3.708 4.550 -1.458 0.000 0.338 420 Y C 1.290 177.175 175.900 -0.024 0.000 1.220 420 Y CA 0.393 58.498 58.100 0.009 0.000 1.430 420 Y CB 0.689 39.164 38.460 0.024 0.000 1.311 420 Y HN 0.136 nan 8.280 nan 0.000 0.575 421 K N 1.866 122.373 120.400 0.178 0.000 2.312 421 K HA 0.131 3.572 4.320 -1.464 0.000 0.287 421 K C -0.019 176.566 176.600 -0.025 0.000 1.062 421 K CA 0.016 56.318 56.287 0.025 0.000 0.934 421 K CB 0.350 32.880 32.500 0.049 0.000 1.027 421 K HN 0.823 nan 8.250 nan 0.000 0.478 422 S N 3.282 118.866 115.700 -0.193 0.000 3.336 422 S HA -0.171 3.421 4.470 -1.464 0.000 0.362 422 S C 0.858 175.472 174.600 0.023 0.000 0.941 422 S CA 0.379 58.449 58.200 -0.217 0.000 1.297 422 S CB -1.104 61.706 63.200 -0.650 0.000 0.915 422 S HN 0.736 nan 8.310 nan 0.000 0.527 423 L N 2.011 123.254 121.223 0.034 0.000 1.970 423 L HA -0.129 3.333 4.340 -1.464 0.000 0.212 423 L C 1.965 178.942 176.870 0.179 0.000 1.071 423 L CA 2.113 56.999 54.840 0.077 0.000 0.751 423 L CB -0.587 41.480 42.059 0.014 0.000 0.889 423 L HN 0.599 nan 8.230 nan 0.000 0.432 424 Y N -0.118 120.137 120.300 -0.075 0.000 2.165 424 Y HA -0.103 3.577 4.550 -1.450 0.000 0.286 424 Y C -0.123 175.786 175.900 0.016 0.000 1.155 424 Y CA 0.886 58.926 58.100 -0.101 0.000 1.164 424 Y CB -2.481 35.855 38.460 -0.206 0.000 0.978 424 Y HN 0.333 nan 8.280 nan 0.000 0.513 425 P HA -0.124 nan 4.420 nan 0.000 0.217 425 P C 1.982 179.455 177.300 0.289 0.000 1.151 425 P CA 2.469 65.730 63.100 0.270 0.000 0.828 425 P CB -0.138 31.728 31.700 0.277 0.000 0.788 426 S N -1.034 114.878 115.700 0.354 0.000 2.402 426 S HA -0.113 3.478 4.470 -1.464 0.000 0.229 426 S C 1.979 176.616 174.600 0.062 0.000 1.021 426 S CA 0.942 59.282 58.200 0.233 0.000 0.974 426 S CB -1.526 61.852 63.200 0.296 0.000 0.800 426 S HN 0.030 nan 8.310 nan 0.000 0.484 427 I N 1.103 121.724 120.570 0.085 0.000 2.252 427 I HA -0.091 3.201 4.170 -1.464 0.000 0.245 427 I C 2.407 178.579 176.117 0.092 0.000 1.102 427 I CA 1.169 62.541 61.300 0.121 0.000 1.385 427 I CB -0.333 37.660 38.000 -0.012 0.000 1.064 427 I HN 0.303 nan 8.210 nan 0.000 0.414 428 I N 0.533 121.121 120.570 0.031 0.000 2.163 428 I HA -0.317 2.974 4.170 -1.464 0.000 0.243 428 I C 2.738 178.807 176.117 -0.080 0.000 1.085 428 I CA 1.513 62.800 61.300 -0.023 0.000 1.347 428 I CB -0.359 37.673 38.000 0.054 0.000 1.044 428 I HN 0.185 nan 8.210 nan 0.000 0.408 429 R N -0.110 120.348 120.500 -0.071 0.000 2.066 429 R HA -0.116 3.346 4.340 -1.464 0.000 0.232 429 R C 2.324 178.484 176.300 -0.233 0.000 1.131 429 R CA 1.987 57.991 56.100 -0.159 0.000 0.955 429 R CB -0.634 29.547 30.300 -0.197 0.000 0.851 429 R HN 0.328 nan 8.270 nan 0.000 0.432 430 T N 0.402 114.798 114.554 -0.263 0.000 2.737 430 T HA -0.065 3.407 4.350 -1.464 0.000 0.265 430 T C 1.056 175.392 174.700 -0.607 0.000 1.038 430 T CA 1.221 63.033 62.100 -0.480 0.000 1.144 430 T CB -0.107 68.347 68.868 -0.690 0.000 0.866 430 T HN 0.107 nan 8.240 nan 0.000 0.434 431 F N 0.853 120.687 119.950 -0.194 0.000 2.660 431 F HA 0.456 4.097 4.527 -1.476 0.000 0.302 431 F C 0.572 176.204 175.800 -0.279 0.000 1.103 431 F CA -0.426 57.455 58.000 -0.198 0.000 1.340 431 F CB -0.605 38.280 39.000 -0.192 0.000 1.048 431 F HN -0.073 nan 8.300 nan 0.000 0.551 432 L N 0.643 121.737 121.223 -0.215 0.000 3.678 432 L HA -0.246 3.215 4.340 -1.464 0.000 0.425 432 L C -0.535 176.062 176.870 -0.455 0.000 1.240 432 L CA -0.201 54.439 54.840 -0.334 0.000 0.876 432 L CB -1.996 39.909 42.059 -0.257 0.000 1.766 432 L HN 0.016 nan 8.230 nan 0.000 0.917 433 I N 0.976 121.211 120.570 -0.559 0.000 2.517 433 I HA 0.272 3.563 4.170 -1.464 0.000 0.285 433 I C 0.440 176.363 176.117 -0.323 0.000 1.106 433 I CA 0.725 61.509 61.300 -0.860 0.000 1.402 433 I CB 0.762 38.449 38.000 -0.521 0.000 1.399 433 I HN 0.234 nan 8.210 nan 0.000 0.535 434 D N 7.069 127.400 120.400 -0.116 0.000 2.745 434 D HA 0.337 4.099 4.640 -1.464 0.000 0.221 434 D C -2.367 174.067 176.300 0.223 0.000 1.237 434 D CA -0.985 53.087 54.000 0.121 0.000 0.781 434 D CB 2.479 43.382 40.800 0.171 0.000 1.575 434 D HN 0.046 nan 8.370 nan 0.000 0.482 435 P HA -0.114 nan 4.420 nan 0.000 0.214 435 P C 1.420 178.737 177.300 0.029 0.000 1.163 435 P CA 0.602 63.816 63.100 0.190 0.000 0.883 435 P CB 0.271 32.061 31.700 0.150 0.000 0.788 436 V N -0.088 119.836 119.914 0.017 0.000 2.343 436 V HA -0.170 3.071 4.120 -1.464 0.000 0.247 436 V C 2.557 178.505 176.094 -0.243 0.000 1.051 436 V CA 2.505 64.586 62.300 -0.364 0.000 1.036 436 V CB -1.855 29.861 31.823 -0.178 0.000 0.654 436 V HN 0.191 nan 8.190 nan 0.000 0.451 437 G N -0.160 108.665 108.800 0.042 0.000 2.440 437 G HA2 -0.271 2.811 3.960 -1.464 0.000 0.218 437 G HA3 -0.271 2.811 3.960 -1.464 0.000 0.218 437 G C 1.577 176.554 174.900 0.128 0.000 1.154 437 G CA 1.177 46.376 45.100 0.166 0.000 0.767 437 G HN 0.459 nan 8.290 nan 0.000 0.552 438 L N 0.838 122.138 121.223 0.128 0.000 2.046 438 L HA 0.012 3.474 4.340 -1.464 0.000 0.208 438 L C 2.875 179.632 176.870 -0.189 0.000 1.077 438 L CA 1.399 56.168 54.840 -0.118 0.000 0.747 438 L CB -0.517 41.512 42.059 -0.051 0.000 0.896 438 L HN 0.080 nan 8.230 nan 0.000 0.432 439 V N -0.100 119.646 119.914 -0.281 0.000 2.295 439 V HA -0.235 3.006 4.120 -1.464 0.000 0.246 439 V C 2.649 178.603 176.094 -0.235 0.000 1.049 439 V CA 1.955 64.038 62.300 -0.362 0.000 1.024 439 V CB -0.694 30.667 31.823 -0.771 0.000 0.648 439 V HN 0.467 nan 8.190 nan 0.000 0.447 440 E N 0.448 120.525 120.200 -0.205 0.000 2.106 440 E HA -0.131 3.340 4.350 -1.464 0.000 0.192 440 E C 2.336 178.904 176.600 -0.053 0.000 0.984 440 E CA 1.366 57.717 56.400 -0.081 0.000 0.806 440 E CB -0.569 29.115 29.700 -0.026 0.000 0.750 440 E HN 0.629 nan 8.360 nan 0.000 0.458 441 G N 1.367 110.147 108.800 -0.033 0.000 2.421 441 G HA2 -0.237 2.845 3.960 -1.464 0.000 0.216 441 G HA3 -0.237 2.845 3.960 -1.464 0.000 0.216 441 G C 1.525 176.406 174.900 -0.032 0.000 1.171 441 G CA 0.741 45.849 45.100 0.014 0.000 0.775 441 G HN 0.113 nan 8.290 nan 0.000 0.543 442 M N 1.191 120.746 119.600 -0.075 0.000 2.374 442 M HA 0.124 3.726 4.480 -1.464 0.000 0.264 442 M C 2.842 179.073 176.300 -0.115 0.000 1.067 442 M CA 0.842 56.093 55.300 -0.081 0.000 1.103 442 M CB -1.055 31.496 32.600 -0.081 0.000 1.402 442 M HN 0.322 nan 8.290 nan 0.000 0.444 443 A N -0.324 122.431 122.820 -0.109 0.000 2.014 443 A HA -0.065 3.376 4.320 -1.464 0.000 0.218 443 A C 1.171 178.657 177.584 -0.165 0.000 1.163 443 A CA 0.924 52.894 52.037 -0.112 0.000 0.652 443 A CB -0.090 18.861 19.000 -0.083 0.000 0.808 443 A HN 0.604 nan 8.150 nan 0.000 0.449 444 Q N -0.310 119.373 119.800 -0.195 0.000 3.300 444 Q HA 0.174 3.635 4.340 -1.464 0.000 0.271 444 Q C -2.656 173.165 176.000 -0.298 0.000 0.926 444 Q CA -1.659 53.982 55.803 -0.270 0.000 0.788 444 Q CB 1.656 30.163 28.738 -0.385 0.000 1.385 444 Q HN 0.298 nan 8.270 nan 0.000 0.424 445 P HA -0.041 nan 4.420 nan 0.000 0.232 445 P C -1.269 175.166 177.300 -1.442 0.000 1.738 445 P CA 0.350 62.797 63.100 -1.088 0.000 0.948 445 P CB -0.454 30.644 31.700 -1.003 0.000 1.943 446 D N -0.887 118.999 120.400 -0.855 0.000 2.601 446 D HA 0.341 4.103 4.640 -1.464 0.000 0.230 446 D C -2.101 174.066 176.300 -0.221 0.000 1.106 446 D CA -2.497 51.151 54.000 -0.586 0.000 0.873 446 D CB 1.005 41.676 40.800 -0.215 0.000 1.515 446 D HN -0.238 nan 8.370 nan 0.000 0.468 447 P HA -0.241 nan 4.420 nan 0.000 0.218 447 P C 1.026 178.368 177.300 0.069 0.000 1.146 447 P CA 1.232 64.450 63.100 0.196 0.000 0.813 447 P CB 0.299 32.105 31.700 0.177 0.000 0.778 448 E N -0.287 119.884 120.200 -0.049 0.000 2.072 448 E HA -0.219 3.253 4.350 -1.464 0.000 0.191 448 E C 1.503 177.942 176.600 -0.270 0.000 0.985 448 E CA 1.141 57.422 56.400 -0.197 0.000 0.801 448 E CB -0.347 29.150 29.700 -0.339 0.000 0.750 448 E HN 0.339 nan 8.360 nan 0.000 0.452 449 H N -0.877 118.194 119.070 0.002 0.000 2.520 449 H HA 0.302 3.975 4.556 -1.471 0.000 0.279 449 H C 0.155 175.529 175.328 0.077 0.000 0.990 449 H CA 0.514 56.572 56.048 0.017 0.000 1.288 449 H CB 0.786 30.533 29.762 -0.024 0.000 1.446 449 H HN -0.069 nan 8.280 nan 0.000 0.538 450 S N -1.157 114.689 115.700 0.242 0.000 2.697 450 S HA 0.447 4.038 4.470 -1.464 0.000 0.289 450 S C -0.513 174.350 174.600 0.437 0.000 1.149 450 S CA -0.908 57.495 58.200 0.338 0.000 0.850 450 S CB 2.581 66.018 63.200 0.395 0.000 1.151 450 S HN 0.155 nan 8.310 nan 0.000 0.491 451 T N 0.782 115.576 114.554 0.400 0.000 2.856 451 T HA 0.408 3.880 4.350 -1.464 0.000 0.283 451 T C -0.881 173.854 174.700 0.058 0.000 1.008 451 T CA -0.550 61.704 62.100 0.257 0.000 0.997 451 T CB 1.091 70.072 68.868 0.188 0.000 0.992 451 T HN 0.576 nan 8.240 nan 0.000 0.454 452 E N 2.083 122.042 120.200 -0.402 0.000 2.373 452 E HA 0.497 3.969 4.350 -1.464 0.000 0.267 452 E C 0.390 176.708 176.600 -0.469 0.000 1.032 452 E CA -0.229 55.584 56.400 -0.979 0.000 0.889 452 E CB 0.672 29.654 29.700 -1.196 0.000 0.984 452 E HN 0.786 nan 8.360 nan 0.000 0.425 453 G N 2.642 111.158 108.800 -0.474 0.000 3.135 453 G HA2 0.460 3.542 3.960 -1.464 0.000 0.159 453 G HA3 0.460 3.542 3.960 -1.464 0.000 0.159 453 G C -1.121 173.519 174.900 -0.434 0.000 1.244 453 G CA -0.543 44.478 45.100 -0.130 0.000 0.965 453 G HN 0.447 nan 8.290 nan 0.000 0.599 454 F N -1.872 118.002 119.950 -0.128 0.000 2.613 454 F HA 0.543 4.184 4.527 -1.476 0.000 0.342 454 F C 0.308 176.035 175.800 -0.123 0.000 1.066 454 F CA -0.463 57.455 58.000 -0.136 0.000 1.002 454 F CB 1.666 40.594 39.000 -0.120 0.000 1.319 454 F HN 0.141 nan 8.300 nan 0.000 0.495 455 L N 1.795 123.079 121.223 0.102 0.000 3.843 455 L HA -0.295 3.166 4.340 -1.464 0.000 0.411 455 L C 0.015 176.856 176.870 -0.048 0.000 1.205 455 L CA 0.895 55.738 54.840 0.005 0.000 0.945 455 L CB -2.050 39.988 42.059 -0.036 0.000 1.929 455 L HN 0.743 nan 8.230 nan 0.000 0.934 456 D N -3.233 117.124 120.400 -0.071 0.000 3.076 456 D HA -0.180 3.581 4.640 -1.464 0.000 0.218 456 D C 0.796 177.044 176.300 -0.087 0.000 1.156 456 D CA 1.261 55.227 54.000 -0.058 0.000 0.921 456 D CB -0.775 40.030 40.800 0.009 0.000 1.113 456 D HN 0.805 nan 8.370 nan 0.000 0.418 457 A N -0.488 122.201 122.820 -0.218 0.000 2.340 457 A HA 0.476 3.917 4.320 -1.464 0.000 0.268 457 A C -0.366 176.875 177.584 -0.572 0.000 1.100 457 A CA 0.035 51.859 52.037 -0.355 0.000 0.803 457 A CB 0.559 19.312 19.000 -0.412 0.000 1.043 457 A HN 0.200 nan 8.150 nan 0.000 0.488 458 W N 0.648 121.613 121.300 -0.559 0.000 2.883 458 W HA 0.637 4.401 4.660 -1.493 0.000 0.335 458 W C -1.300 174.852 176.519 -0.613 0.000 1.083 458 W CA -0.199 56.903 57.345 -0.406 0.000 1.233 458 W CB 1.715 31.058 29.460 -0.194 0.000 1.412 458 W HN 0.500 nan 8.180 nan 0.000 0.490 459 F N 1.833 121.901 119.950 0.197 0.000 2.482 459 F HA 0.380 4.900 4.527 -0.011 0.000 0.331 459 F C 0.740 176.641 175.800 0.167 0.000 1.115 459 F CA -1.109 56.970 58.000 0.131 0.000 0.955 459 F CB 1.753 40.794 39.000 0.068 0.000 1.136 459 F HN 0.131 nan 8.300 nan 0.000 0.452 460 S N 2.727 118.604 115.700 0.295 0.000 2.546 460 S HA 0.097 3.688 4.470 -1.464 0.000 0.290 460 S C 1.396 176.177 174.600 0.301 0.000 1.290 460 S CA -0.259 58.086 58.200 0.242 0.000 1.069 460 S CB 0.531 63.828 63.200 0.161 0.000 0.846 460 S HN 0.754 nan 8.310 nan 0.000 0.495 461 R N 2.299 122.942 120.500 0.238 0.000 2.119 461 R HA 0.040 3.502 4.340 -1.464 0.000 0.222 461 R C 1.345 177.781 176.300 0.226 0.000 1.088 461 R CA 1.023 57.257 56.100 0.222 0.000 0.984 461 R CB 0.031 30.416 30.300 0.142 0.000 0.884 461 R HN 0.631 nan 8.270 nan 0.000 0.447 462 E N 0.133 120.399 120.200 0.111 0.000 2.431 462 E HA 0.043 3.514 4.350 -1.464 0.000 0.200 462 E C 0.008 176.480 176.600 -0.215 0.000 0.995 462 E CA 0.332 56.715 56.400 -0.027 0.000 0.915 462 E CB 0.587 30.286 29.700 -0.002 0.000 0.930 462 E HN 0.047 nan 8.360 nan 0.000 0.496 463 K N 1.748 122.058 120.400 -0.151 0.000 2.507 463 K HA 0.179 3.620 4.320 -1.464 0.000 0.253 463 K C -1.073 175.441 176.600 -0.144 0.000 0.969 463 K CA -0.310 55.860 56.287 -0.196 0.000 0.908 463 K CB 0.476 32.949 32.500 -0.044 0.000 1.127 463 K HN 0.069 nan 8.250 nan 0.000 0.437 464 H N 0.590 119.668 119.070 0.013 0.000 3.003 464 H HA 0.290 3.964 4.556 -1.469 0.000 0.327 464 H C -0.669 174.647 175.328 -0.021 0.000 1.353 464 H CA -1.005 55.051 56.048 0.014 0.000 1.142 464 H CB 1.130 30.915 29.762 0.038 0.000 1.864 464 H HN 0.509 nan 8.280 nan 0.000 0.529 465 C N 0.123 119.513 119.300 0.151 0.000 3.276 465 C HA 0.078 3.659 4.460 -1.464 0.000 0.512 465 C C 2.374 177.409 174.990 0.076 0.000 1.376 465 C CA 0.051 59.073 59.018 0.006 0.000 2.319 465 C CB -0.644 26.883 27.740 -0.355 0.000 3.330 465 C HN 0.713 nan 8.230 nan 0.000 0.596 466 L N 2.649 123.985 121.223 0.189 0.000 2.079 466 L HA 0.005 3.466 4.340 -1.464 0.000 0.210 466 L C -0.872 176.048 176.870 0.085 0.000 1.081 466 L CA 2.409 57.335 54.840 0.143 0.000 0.752 466 L CB -1.413 40.742 42.059 0.159 0.000 0.896 466 L HN 0.121 nan 8.230 nan 0.000 0.433 467 P HA -0.153 nan 4.420 nan 0.000 0.215 467 P C 1.268 178.573 177.300 0.009 0.000 1.153 467 P CA 1.398 64.481 63.100 -0.029 0.000 0.853 467 P CB 0.088 31.684 31.700 -0.172 0.000 0.788 468 E N -0.734 119.498 120.200 0.053 0.000 2.077 468 E HA -0.129 3.342 4.350 -1.464 0.000 0.193 468 E C 2.020 178.643 176.600 0.039 0.000 0.989 468 E CA 0.932 57.354 56.400 0.037 0.000 0.800 468 E CB -0.974 28.756 29.700 0.051 0.000 0.746 468 E HN 0.240 nan 8.360 nan 0.000 0.452 469 I N -0.041 120.567 120.570 0.063 0.000 2.179 469 I HA -0.264 3.027 4.170 -1.464 0.000 0.242 469 I C 2.134 178.335 176.117 0.140 0.000 1.088 469 I CA 0.817 62.177 61.300 0.101 0.000 1.357 469 I CB -0.266 37.788 38.000 0.089 0.000 1.051 469 I HN 0.011 nan 8.210 nan 0.000 0.409 470 V N 0.604 120.610 119.914 0.153 0.000 2.343 470 V HA -0.286 2.956 4.120 -1.464 0.000 0.247 470 V C 2.510 178.675 176.094 0.119 0.000 1.051 470 V CA 2.491 64.900 62.300 0.181 0.000 1.036 470 V CB -0.775 31.168 31.823 0.200 0.000 0.654 470 V HN 0.494 nan 8.190 nan 0.000 0.451 471 T N 0.033 114.580 114.554 -0.011 0.000 2.746 471 T HA -0.217 3.254 4.350 -1.464 0.000 0.267 471 T C 1.809 176.311 174.700 -0.329 0.000 1.039 471 T CA 1.886 63.854 62.100 -0.221 0.000 1.142 471 T CB -0.453 68.258 68.868 -0.261 0.000 0.866 471 T HN 0.533 nan 8.240 nan 0.000 0.444 472 N N 0.957 119.592 118.700 -0.107 0.000 2.120 472 N HA -0.015 3.846 4.740 -1.464 0.000 0.188 472 N C 1.679 177.228 175.510 0.065 0.000 1.024 472 N CA 1.117 54.167 53.050 0.001 0.000 0.852 472 N CB -0.366 38.167 38.487 0.076 0.000 1.003 472 N HN 0.387 nan 8.380 nan 0.000 0.424 473 I N -0.830 119.794 120.570 0.090 0.000 2.315 473 I HA -0.207 3.084 4.170 -1.464 0.000 0.248 473 I C 2.069 178.268 176.117 0.137 0.000 1.117 473 I CA 0.469 61.831 61.300 0.104 0.000 1.404 473 I CB -0.354 37.691 38.000 0.074 0.000 1.071 473 I HN 0.372 nan 8.210 nan 0.000 0.419 474 W N 2.314 123.565 121.300 -0.082 0.000 2.335 474 W HA -0.246 3.534 4.660 -1.467 0.000 0.311 474 W C 2.475 179.010 176.519 0.027 0.000 1.213 474 W CA 2.010 59.317 57.345 -0.063 0.000 1.274 474 W CB -0.814 28.565 29.460 -0.135 0.000 1.148 474 W HN 0.322 nan 8.180 nan 0.000 0.498 475 H N -1.487 117.804 119.070 0.369 0.000 2.421 475 H HA -0.101 3.577 4.556 -1.462 0.000 0.298 475 H C 2.482 177.901 175.328 0.153 0.000 1.087 475 H CA 1.039 57.230 56.048 0.238 0.000 1.330 475 H CB -0.626 29.226 29.762 0.150 0.000 1.388 475 H HN 0.203 nan 8.280 nan 0.000 0.526 476 G N 0.623 109.566 108.800 0.238 0.000 2.418 476 G HA2 -0.275 2.807 3.960 -1.464 0.000 0.217 476 G HA3 -0.275 2.807 3.960 -1.464 0.000 0.217 476 G C 1.657 176.617 174.900 0.099 0.000 1.158 476 G CA 0.435 45.621 45.100 0.144 0.000 0.771 476 G HN 0.291 nan 8.290 nan 0.000 0.545 477 R N 0.162 120.701 120.500 0.065 0.000 2.115 477 R HA -0.063 3.399 4.340 -1.464 0.000 0.230 477 R C 1.925 178.232 176.300 0.011 0.000 1.111 477 R CA 1.385 57.481 56.100 -0.008 0.000 0.976 477 R CB -0.153 30.068 30.300 -0.131 0.000 0.870 477 R HN 0.187 nan 8.270 nan 0.000 0.445 478 D N 0.222 120.671 120.400 0.081 0.000 2.117 478 D HA -0.179 3.582 4.640 -1.464 0.000 0.197 478 D C 1.706 178.054 176.300 0.081 0.000 0.987 478 D CA 1.214 55.276 54.000 0.103 0.000 0.829 478 D CB -0.055 40.873 40.800 0.213 0.000 0.961 478 D HN 0.249 nan 8.370 nan 0.000 0.460 479 E N 0.838 121.093 120.200 0.092 0.000 2.072 479 E HA -0.051 3.420 4.350 -1.464 0.000 0.191 479 E C 1.875 178.511 176.600 0.060 0.000 0.985 479 E CA 1.287 57.731 56.400 0.073 0.000 0.801 479 E CB -0.275 29.474 29.700 0.081 0.000 0.750 479 E HN 0.138 nan 8.360 nan 0.000 0.452 480 A N 0.681 123.535 122.820 0.058 0.000 1.933 480 A HA -0.194 3.248 4.320 -1.464 0.000 0.218 480 A C 2.084 179.692 177.584 0.040 0.000 1.175 480 A CA 1.760 53.830 52.037 0.056 0.000 0.628 480 A CB -0.413 18.623 19.000 0.060 0.000 0.814 480 A HN 0.194 nan 8.150 nan 0.000 0.444 481 K N -0.919 119.495 120.400 0.023 0.000 2.057 481 K HA -0.100 3.341 4.320 -1.464 0.000 0.206 481 K C 2.370 178.979 176.600 0.016 0.000 1.050 481 K CA 1.290 57.580 56.287 0.006 0.000 0.935 481 K CB -0.157 32.337 32.500 -0.010 0.000 0.715 481 K HN 0.442 nan 8.250 nan 0.000 0.439 482 R N 1.260 121.777 120.500 0.029 0.000 2.096 482 R HA -0.163 3.299 4.340 -1.464 0.000 0.235 482 R C 1.565 177.883 176.300 0.030 0.000 1.127 482 R CA 1.608 57.725 56.100 0.030 0.000 0.968 482 R CB 0.080 30.402 30.300 0.037 0.000 0.861 482 R HN 0.258 nan 8.270 nan 0.000 0.440 483 Q N -1.219 118.604 119.800 0.037 0.000 2.403 483 Q HA 0.122 3.584 4.340 -1.464 0.000 0.203 483 Q C 0.627 176.651 176.000 0.040 0.000 0.932 483 Q CA 0.451 56.278 55.803 0.041 0.000 0.945 483 Q CB 0.928 29.697 28.738 0.051 0.000 1.045 483 Q HN 0.627 nan 8.270 nan 0.000 0.511 484 G N 2.030 110.848 108.800 0.030 0.000 2.143 484 G HA2 -0.265 2.816 3.960 -1.464 0.000 0.248 484 G HA3 -0.265 2.816 3.960 -1.464 0.000 0.248 484 G C -0.064 174.858 174.900 0.036 0.000 0.991 484 G CA 0.156 45.270 45.100 0.024 0.000 0.689 484 G HN 0.312 nan 8.290 nan 0.000 0.522 485 N N 0.648 119.379 118.700 0.052 0.000 2.719 485 N HA 0.282 4.143 4.740 -1.464 0.000 0.243 485 N C 1.574 177.122 175.510 0.065 0.000 1.104 485 N CA -0.116 52.983 53.050 0.081 0.000 0.981 485 N CB 0.252 38.807 38.487 0.114 0.000 1.290 485 N HN 0.482 nan 8.380 nan 0.000 0.513 486 K N 2.046 122.460 120.400 0.023 0.000 2.057 486 K HA -0.076 3.365 4.320 -1.464 0.000 0.207 486 K C -0.909 175.699 176.600 0.013 0.000 1.049 486 K CA 1.283 57.558 56.287 -0.019 0.000 0.931 486 K CB -0.431 32.022 32.500 -0.080 0.000 0.714 486 K HN 0.380 nan 8.250 nan 0.000 0.440 487 P HA -0.181 nan 4.420 nan 0.000 0.215 487 P C 1.358 178.891 177.300 0.389 0.000 1.157 487 P CA 0.906 64.083 63.100 0.129 0.000 0.868 487 P CB 0.087 31.793 31.700 0.010 0.000 0.788 488 L N -0.570 120.892 121.223 0.398 0.000 2.046 488 L HA -0.117 3.344 4.340 -1.464 0.000 0.208 488 L C 2.444 179.442 176.870 0.214 0.000 1.077 488 L CA 2.020 57.091 54.840 0.385 0.000 0.747 488 L CB -1.614 40.595 42.059 0.249 0.000 0.896 488 L HN -0.073 nan 8.230 nan 0.000 0.432 489 S N -1.172 114.599 115.700 0.119 0.000 2.356 489 S HA -0.294 3.297 4.470 -1.464 0.000 0.223 489 S C 2.065 176.661 174.600 -0.006 0.000 1.032 489 S CA 1.614 59.830 58.200 0.026 0.000 1.005 489 S CB -0.370 62.818 63.200 -0.019 0.000 0.867 489 S HN 0.655 nan 8.310 nan 0.000 0.449 490 Q N 1.156 120.949 119.800 -0.012 0.000 2.124 490 Q HA 0.098 3.559 4.340 -1.464 0.000 0.202 490 Q C 2.040 178.019 176.000 -0.034 0.000 0.977 490 Q CA 2.019 57.718 55.803 -0.172 0.000 0.850 490 Q CB -0.913 27.588 28.738 -0.396 0.000 0.901 490 Q HN 0.602 nan 8.270 nan 0.000 0.429 491 A N 0.170 123.211 122.820 0.369 0.000 1.902 491 A HA -0.100 3.341 4.320 -1.464 0.000 0.217 491 A C 2.094 179.789 177.584 0.185 0.000 1.181 491 A CA 1.412 53.753 52.037 0.507 0.000 0.623 491 A CB -0.696 18.648 19.000 0.574 0.000 0.818 491 A HN 0.459 nan 8.150 nan 0.000 0.443 492 L N -0.504 120.769 121.223 0.084 0.000 2.156 492 L HA -0.156 3.305 4.340 -1.464 0.000 0.208 492 L C 2.608 179.437 176.870 -0.069 0.000 1.095 492 L CA 1.722 56.558 54.840 -0.008 0.000 0.770 492 L CB -0.451 41.602 42.059 -0.011 0.000 0.914 492 L HN 0.570 nan 8.230 nan 0.000 0.439 493 K N 1.296 121.645 120.400 -0.084 0.000 2.057 493 K HA -0.179 3.262 4.320 -1.464 0.000 0.207 493 K C 2.041 178.582 176.600 -0.098 0.000 1.049 493 K CA 1.515 57.721 56.287 -0.135 0.000 0.931 493 K CB -0.126 32.271 32.500 -0.171 0.000 0.714 493 K HN 0.197 nan 8.250 nan 0.000 0.440 494 I N 1.105 121.644 120.570 -0.053 0.000 2.315 494 I HA -0.235 3.057 4.170 -1.464 0.000 0.248 494 I C 2.301 178.411 176.117 -0.011 0.000 1.117 494 I CA 0.953 62.255 61.300 0.004 0.000 1.404 494 I CB -0.097 37.965 38.000 0.104 0.000 1.071 494 I HN 0.189 nan 8.210 nan 0.000 0.419 495 I N 0.033 120.564 120.570 -0.066 0.000 2.226 495 I HA -0.338 2.954 4.170 -1.464 0.000 0.245 495 I C 2.558 178.347 176.117 -0.548 0.000 1.100 495 I CA 1.603 62.754 61.300 -0.247 0.000 1.374 495 I CB -0.190 37.659 38.000 -0.250 0.000 1.057 495 I HN 0.233 nan 8.210 nan 0.000 0.413 496 M N -0.071 119.317 119.600 -0.353 0.000 2.132 496 M HA -0.186 3.415 4.480 -1.464 0.000 0.263 496 M C 1.930 178.222 176.300 -0.013 0.000 1.065 496 M CA 1.601 56.747 55.300 -0.256 0.000 1.122 496 M CB -0.494 32.050 32.600 -0.092 0.000 1.365 496 M HN 0.243 nan 8.290 nan 0.000 0.411 497 N N 0.744 119.465 118.700 0.034 0.000 2.244 497 N HA -0.048 3.813 4.740 -1.464 0.000 0.183 497 N C 1.616 177.306 175.510 0.300 0.000 1.016 497 N CA 1.466 54.630 53.050 0.191 0.000 0.866 497 N CB -0.341 38.208 38.487 0.103 0.000 0.980 497 N HN 0.308 nan 8.380 nan 0.000 0.430 498 A N 0.233 123.161 122.820 0.181 0.000 2.067 498 A HA -0.051 3.390 4.320 -1.464 0.000 0.219 498 A C 1.596 179.445 177.584 0.441 0.000 1.158 498 A CA 0.671 52.852 52.037 0.240 0.000 0.661 498 A CB -0.583 18.536 19.000 0.198 0.000 0.801 498 A HN 0.108 nan 8.150 nan 0.000 0.452 499 F N -1.225 118.893 119.950 0.280 0.000 2.293 499 F HA -0.070 3.578 4.527 -1.465 0.000 0.300 499 F C 2.106 178.085 175.800 0.300 0.000 1.086 499 F CA 0.437 58.673 58.000 0.393 0.000 1.375 499 F CB -1.255 37.977 39.000 0.386 0.000 1.045 499 F HN 0.596 nan 8.300 nan 0.000 0.516 500 Y N 0.350 120.872 120.300 0.370 0.000 2.206 500 Y HA 0.117 3.783 4.550 -1.474 0.000 0.292 500 Y C 2.421 178.432 175.900 0.186 0.000 1.123 500 Y CA 1.223 59.462 58.100 0.232 0.000 1.142 500 Y CB -1.074 37.542 38.460 0.260 0.000 1.006 500 Y HN -0.043 nan 8.280 nan 0.000 0.518 501 G N 1.099 109.635 108.800 -0.440 0.000 2.476 501 G HA2 -0.324 2.757 3.960 -1.464 0.000 0.218 501 G HA3 -0.324 2.757 3.960 -1.464 0.000 0.218 501 G C 1.689 176.434 174.900 -0.259 0.000 1.164 501 G CA 2.540 47.310 45.100 -0.549 0.000 0.768 501 G HN 0.685 nan 8.290 nan 0.000 0.560 502 V N -0.593 119.268 119.914 -0.088 0.000 2.688 502 V HA -0.022 3.220 4.120 -1.464 0.000 0.256 502 V C 2.564 178.586 176.094 -0.120 0.000 1.084 502 V CA 1.515 63.758 62.300 -0.095 0.000 1.103 502 V CB -0.577 31.165 31.823 -0.135 0.000 0.688 502 V HN 0.353 nan 8.190 nan 0.000 0.480 503 L N 0.980 122.117 121.223 -0.143 0.000 2.552 503 L HA 0.230 3.691 4.340 -1.464 0.000 0.227 503 L C 2.283 179.191 176.870 0.063 0.000 1.146 503 L CA 0.929 55.728 54.840 -0.069 0.000 0.858 503 L CB -0.691 41.329 42.059 -0.066 0.000 0.969 503 L HN 0.519 nan 8.230 nan 0.000 0.451 504 G N -1.292 107.547 108.800 0.065 0.000 3.159 504 G HA2 0.020 3.102 3.960 -1.464 0.000 0.232 504 G HA3 0.020 3.102 3.960 -1.464 0.000 0.232 504 G C 0.397 175.499 174.900 0.337 0.000 1.116 504 G CA 0.096 45.329 45.100 0.222 0.000 0.767 504 G HN 0.151 nan 8.290 nan 0.000 0.547 505 T N -0.316 114.359 114.554 0.203 0.000 2.824 505 T HA 0.390 3.861 4.350 -1.464 0.000 0.282 505 T C 1.797 176.284 174.700 -0.355 0.000 0.993 505 T CA 0.355 62.388 62.100 -0.112 0.000 0.967 505 T CB 1.418 70.238 68.868 -0.081 0.000 0.960 505 T HN 0.086 nan 8.240 nan 0.000 0.441 506 T N 2.208 116.290 114.554 -0.786 0.000 2.977 506 T HA 0.002 3.473 4.350 -1.464 0.000 0.271 506 T C 2.116 176.641 174.700 -0.292 0.000 1.105 506 T CA 0.958 62.616 62.100 -0.736 0.000 1.116 506 T CB -0.368 68.090 68.868 -0.683 0.000 0.878 506 T HN 0.649 nan 8.240 nan 0.000 0.509 507 A N 0.054 122.746 122.820 -0.213 0.000 2.121 507 A HA 0.181 3.622 4.320 -1.464 0.000 0.218 507 A C 1.526 179.066 177.584 -0.073 0.000 1.154 507 A CA 0.440 52.403 52.037 -0.123 0.000 0.679 507 A CB -1.042 17.898 19.000 -0.099 0.000 0.795 507 A HN 0.713 nan 8.150 nan 0.000 0.458 508 C N 1.006 120.267 119.300 -0.066 0.000 2.330 508 C HA 0.494 4.075 4.460 -1.464 0.000 0.344 508 C C 2.146 177.095 174.990 -0.068 0.000 1.273 508 C CA -0.615 58.375 59.018 -0.047 0.000 1.879 508 C CB 0.399 28.110 27.740 -0.049 0.000 2.376 508 C HN 0.716 nan 8.230 nan 0.000 0.534 509 R N 2.603 122.992 120.500 -0.184 0.000 2.193 509 R HA -0.089 3.373 4.340 -1.464 0.000 0.229 509 R C 0.387 176.435 176.300 -0.420 0.000 1.110 509 R CA 1.829 57.734 56.100 -0.324 0.000 0.988 509 R CB -0.440 29.581 30.300 -0.465 0.000 0.871 509 R HN 0.694 nan 8.270 nan 0.000 0.458 510 F N 0.666 120.542 119.950 -0.123 0.000 2.732 510 F HA 0.214 3.860 4.527 -1.468 0.000 0.303 510 F C 0.507 176.259 175.800 -0.080 0.000 1.110 510 F CA -1.312 56.587 58.000 -0.168 0.000 1.355 510 F CB -0.320 38.491 39.000 -0.315 0.000 1.081 510 F HN -0.113 nan 8.300 nan 0.000 0.565 511 F N 2.376 122.308 119.950 -0.031 0.000 2.608 511 F HA 0.213 3.877 4.527 -1.438 0.000 0.380 511 F C 0.065 175.877 175.800 0.019 0.000 1.083 511 F CA 0.236 58.222 58.000 -0.022 0.000 1.266 511 F CB 0.212 39.188 39.000 -0.039 0.000 1.076 511 F HN -0.022 nan 8.300 nan 0.000 0.574 512 D N 7.543 127.409 120.400 -0.889 0.000 2.804 512 D HA 0.185 3.946 4.640 -1.464 0.000 0.209 512 D C -2.402 173.502 176.300 -0.661 0.000 1.314 512 D CA -1.291 52.245 54.000 -0.774 0.000 0.894 512 D CB 2.366 43.008 40.800 -0.263 0.000 1.615 512 D HN 0.135 nan 8.370 nan 0.000 0.571 513 P HA -0.059 nan 4.420 nan 0.000 0.218 513 P C 1.286 178.497 177.300 -0.149 0.000 1.148 513 P CA 1.038 63.980 63.100 -0.264 0.000 0.822 513 P CB 0.358 31.939 31.700 -0.198 0.000 0.784 514 R N -0.906 119.500 120.500 -0.156 0.000 2.096 514 R HA -0.065 3.396 4.340 -1.464 0.000 0.235 514 R C 2.296 178.639 176.300 0.073 0.000 1.127 514 R CA 1.102 57.174 56.100 -0.046 0.000 0.968 514 R CB -0.923 29.331 30.300 -0.076 0.000 0.861 514 R HN 0.253 nan 8.270 nan 0.000 0.440 515 L N -0.221 121.029 121.223 0.044 0.000 2.005 515 L HA -0.109 3.353 4.340 -1.464 0.000 0.207 515 L C 2.696 179.601 176.870 0.058 0.000 1.072 515 L CA 1.301 56.208 54.840 0.110 0.000 0.744 515 L CB -0.595 41.501 42.059 0.062 0.000 0.895 515 L HN 0.208 nan 8.230 nan 0.000 0.433 516 A N -0.630 122.211 122.820 0.035 0.000 1.898 516 A HA -0.175 3.266 4.320 -1.464 0.000 0.216 516 A C 2.498 180.101 177.584 0.033 0.000 1.181 516 A CA 2.044 54.151 52.037 0.117 0.000 0.620 516 A CB -0.653 18.422 19.000 0.125 0.000 0.819 516 A HN 0.355 nan 8.150 nan 0.000 0.442 517 S N -0.020 115.675 115.700 -0.008 0.000 2.402 517 S HA -0.095 3.496 4.470 -1.464 0.000 0.229 517 S C 2.201 176.695 174.600 -0.177 0.000 1.021 517 S CA 1.304 59.448 58.200 -0.094 0.000 0.974 517 S CB -0.247 62.933 63.200 -0.035 0.000 0.800 517 S HN 0.596 nan 8.310 nan 0.000 0.484 518 S N 1.119 116.808 115.700 -0.018 0.000 2.423 518 S HA 0.075 3.667 4.470 -1.464 0.000 0.231 518 S C 1.649 176.143 174.600 -0.177 0.000 1.014 518 S CA 0.729 58.969 58.200 0.066 0.000 0.965 518 S CB -0.248 63.091 63.200 0.232 0.000 0.785 518 S HN 0.422 nan 8.310 nan 0.000 0.495 519 I N 1.126 121.533 120.570 -0.271 0.000 2.270 519 I HA -0.124 3.167 4.170 -1.464 0.000 0.239 519 I C 2.881 178.556 176.117 -0.737 0.000 1.080 519 I CA 1.524 62.538 61.300 -0.477 0.000 1.383 519 I CB -0.847 36.868 38.000 -0.476 0.000 1.097 519 I HN 0.365 nan 8.210 nan 0.000 0.420 520 T N -0.631 113.477 114.554 -0.743 0.000 2.788 520 T HA -0.166 3.306 4.350 -1.464 0.000 0.268 520 T C 1.845 175.970 174.700 -0.957 0.000 1.044 520 T CA 1.176 62.799 62.100 -0.795 0.000 1.139 520 T CB -0.400 68.190 68.868 -0.463 0.000 0.867 520 T HN 0.181 nan 8.240 nan 0.000 0.454 521 M N 0.200 119.229 119.600 -0.952 0.000 2.296 521 M HA 0.128 3.729 4.480 -1.464 0.000 0.265 521 M C 2.641 178.333 176.300 -1.014 0.000 1.064 521 M CA 1.186 55.739 55.300 -1.245 0.000 1.109 521 M CB -0.235 31.300 32.600 -1.776 0.000 1.396 521 M HN 0.159 nan 8.290 nan 0.000 0.430 522 R N 0.760 120.821 120.500 -0.732 0.000 2.115 522 R HA -0.023 3.439 4.340 -1.464 0.000 0.230 522 R C 2.089 178.177 176.300 -0.352 0.000 1.111 522 R CA 1.684 57.533 56.100 -0.418 0.000 0.976 522 R CB -1.050 28.913 30.300 -0.561 0.000 0.870 522 R HN 0.356 nan 8.270 nan 0.000 0.445 523 G N -0.903 107.657 108.800 -0.400 0.000 2.422 523 G HA2 -0.260 2.821 3.960 -1.464 0.000 0.218 523 G HA3 -0.260 2.821 3.960 -1.464 0.000 0.218 523 G C 1.073 175.975 174.900 0.003 0.000 1.146 523 G CA 1.108 46.101 45.100 -0.180 0.000 0.769 523 G HN 0.527 nan 8.290 nan 0.000 0.547 524 H N -0.573 118.442 119.070 -0.093 0.000 2.353 524 H HA -0.079 3.603 4.556 -1.458 0.000 0.300 524 H C 2.605 177.906 175.328 -0.046 0.000 1.090 524 H CA 1.238 57.247 56.048 -0.065 0.000 1.327 524 H CB 0.073 29.723 29.762 -0.186 0.000 1.383 524 H HN 0.413 nan 8.280 nan 0.000 0.508 525 Q N 1.134 120.981 119.800 0.080 0.000 2.050 525 Q HA -0.162 3.299 4.340 -1.464 0.000 0.202 525 Q C 2.270 178.403 176.000 0.223 0.000 0.980 525 Q CA 1.560 57.443 55.803 0.132 0.000 0.840 525 Q CB -0.029 28.794 28.738 0.141 0.000 0.898 525 Q HN 0.487 nan 8.270 nan 0.000 0.424 526 I N 0.269 120.932 120.570 0.156 0.000 2.208 526 I HA -0.318 2.974 4.170 -1.464 0.000 0.245 526 I C 2.486 178.797 176.117 0.323 0.000 1.097 526 I CA 0.894 62.328 61.300 0.223 0.000 1.363 526 I CB -0.205 37.666 38.000 -0.214 0.000 1.051 526 I HN 0.390 nan 8.210 nan 0.000 0.413 527 M N -0.051 119.701 119.600 0.253 0.000 2.086 527 M HA -0.187 3.414 4.480 -1.464 0.000 0.261 527 M C 2.471 178.947 176.300 0.293 0.000 1.067 527 M CA 1.840 57.330 55.300 0.315 0.000 1.116 527 M CB -0.995 31.846 32.600 0.402 0.000 1.348 527 M HN 0.193 nan 8.290 nan 0.000 0.407 528 R N -0.491 120.148 120.500 0.233 0.000 2.092 528 R HA -0.182 3.280 4.340 -1.464 0.000 0.231 528 R C 2.218 178.590 176.300 0.121 0.000 1.119 528 R CA 1.271 57.465 56.100 0.157 0.000 0.970 528 R CB -0.342 29.990 30.300 0.053 0.000 0.864 528 R HN 0.294 nan 8.270 nan 0.000 0.440 529 Q N 0.333 120.225 119.800 0.153 0.000 2.119 529 Q HA -0.090 3.371 4.340 -1.464 0.000 0.201 529 Q C 1.707 177.681 176.000 -0.043 0.000 0.972 529 Q CA 2.000 57.816 55.803 0.022 0.000 0.847 529 Q CB -0.191 28.609 28.738 0.104 0.000 0.903 529 Q HN 0.186 nan 8.270 nan 0.000 0.433 530 T N 0.449 115.108 114.554 0.176 0.000 2.746 530 T HA -0.159 3.312 4.350 -1.464 0.000 0.267 530 T C 1.575 176.319 174.700 0.075 0.000 1.039 530 T CA 1.537 63.742 62.100 0.174 0.000 1.142 530 T CB -0.216 68.879 68.868 0.378 0.000 0.866 530 T HN 0.383 nan 8.240 nan 0.000 0.444 531 K N 1.229 121.687 120.400 0.098 0.000 2.026 531 K HA -0.028 3.414 4.320 -1.464 0.000 0.208 531 K C 2.535 179.151 176.600 0.027 0.000 1.048 531 K CA 1.278 57.611 56.287 0.077 0.000 0.929 531 K CB -0.367 32.199 32.500 0.109 0.000 0.713 531 K HN 0.259 nan 8.250 nan 0.000 0.439 532 A N 1.360 124.174 122.820 -0.011 0.000 1.933 532 A HA -0.124 3.318 4.320 -1.464 0.000 0.218 532 A C 2.144 179.666 177.584 -0.104 0.000 1.175 532 A CA 1.344 53.348 52.037 -0.056 0.000 0.628 532 A CB -0.601 18.347 19.000 -0.087 0.000 0.814 532 A HN 0.352 nan 8.150 nan 0.000 0.444 533 L N -0.808 120.312 121.223 -0.173 0.000 2.056 533 L HA -0.163 3.298 4.340 -1.464 0.000 0.207 533 L C 2.453 179.309 176.870 -0.024 0.000 1.078 533 L CA 1.267 55.996 54.840 -0.184 0.000 0.749 533 L CB -0.433 41.427 42.059 -0.331 0.000 0.901 533 L HN 0.376 nan 8.230 nan 0.000 0.433 534 I N -0.486 120.090 120.570 0.010 0.000 2.252 534 I HA -0.251 3.040 4.170 -1.464 0.000 0.245 534 I C 2.379 178.541 176.117 0.075 0.000 1.102 534 I CA 1.218 62.557 61.300 0.065 0.000 1.385 534 I CB -0.249 37.787 38.000 0.060 0.000 1.064 534 I HN 0.255 nan 8.210 nan 0.000 0.414 535 E N 0.966 121.189 120.200 0.038 0.000 2.110 535 E HA -0.197 3.275 4.350 -1.464 0.000 0.193 535 E C 2.348 178.931 176.600 -0.027 0.000 0.988 535 E CA 1.184 57.596 56.400 0.020 0.000 0.804 535 E CB -0.187 29.525 29.700 0.020 0.000 0.745 535 E HN 0.519 nan 8.360 nan 0.000 0.458 536 A N 1.188 123.986 122.820 -0.036 0.000 1.972 536 A HA -0.172 3.269 4.320 -1.464 0.000 0.219 536 A C 1.958 179.490 177.584 -0.086 0.000 1.169 536 A CA 1.047 53.050 52.037 -0.057 0.000 0.635 536 A CB -0.117 18.850 19.000 -0.055 0.000 0.810 536 A HN 0.073 nan 8.150 nan 0.000 0.446 537 Q N -1.201 118.553 119.800 -0.078 0.000 2.466 537 Q HA 0.162 3.623 4.340 -1.464 0.000 0.210 537 Q C 1.114 176.977 176.000 -0.228 0.000 0.961 537 Q CA 0.758 56.488 55.803 -0.121 0.000 0.953 537 Q CB -0.045 28.658 28.738 -0.059 0.000 1.011 537 Q HN 0.989 nan 8.270 nan 0.000 0.516 538 G N -0.154 108.494 108.800 -0.254 0.000 2.144 538 G HA2 -0.251 2.830 3.960 -1.464 0.000 0.218 538 G HA3 -0.251 2.830 3.960 -1.464 0.000 0.218 538 G C -0.461 174.063 174.900 -0.627 0.000 0.988 538 G CA -0.260 44.574 45.100 -0.444 0.000 0.659 538 G HN 0.277 nan 8.290 nan 0.000 0.522 539 Y N 0.673 120.921 120.300 -0.087 0.000 2.485 539 Y HA 0.596 4.268 4.550 -1.465 0.000 0.345 539 Y C 0.100 175.977 175.900 -0.039 0.000 0.998 539 Y CA -1.300 56.746 58.100 -0.090 0.000 1.059 539 Y CB 1.347 39.752 38.460 -0.091 0.000 1.234 539 Y HN -0.023 nan 8.280 nan 0.000 0.461 540 D N 1.365 121.851 120.400 0.143 0.000 2.345 540 D HA 0.307 4.068 4.640 -1.464 0.000 0.247 540 D C -0.851 175.581 176.300 0.219 0.000 1.108 540 D CA 0.014 54.127 54.000 0.189 0.000 0.894 540 D CB 1.680 42.669 40.800 0.316 0.000 1.203 540 D HN 0.161 nan 8.370 nan 0.000 0.430 541 V N 3.664 123.684 119.914 0.176 0.000 2.334 541 V HA 0.159 3.400 4.120 -1.464 0.000 0.281 541 V C 1.294 177.472 176.094 0.140 0.000 1.016 541 V CA -0.505 61.880 62.300 0.141 0.000 0.832 541 V CB 1.159 33.048 31.823 0.111 0.000 0.999 541 V HN 0.472 nan 8.190 nan 0.000 0.439 542 I N 2.430 123.064 120.570 0.107 0.000 3.603 542 I HA 0.400 3.691 4.170 -1.464 0.000 0.297 542 I C 0.258 176.425 176.117 0.083 0.000 1.269 542 I CA 0.560 61.893 61.300 0.056 0.000 1.361 542 I CB 0.201 38.121 38.000 -0.133 0.000 1.063 542 I HN 0.508 nan 8.210 nan 0.000 0.448 543 Y N 0.723 120.962 120.300 -0.101 0.000 2.741 543 Y HA 0.672 4.344 4.550 -1.463 0.000 0.339 543 Y C -1.011 174.857 175.900 -0.053 0.000 1.226 543 Y CA -0.947 57.021 58.100 -0.219 0.000 1.072 543 Y CB 1.322 39.417 38.460 -0.609 0.000 1.331 543 Y HN 0.039 nan 8.280 nan 0.000 0.453 544 G N 2.393 110.633 108.800 -0.934 0.000 2.691 544 G HA2 0.443 3.524 3.960 -1.464 0.000 0.298 544 G HA3 0.443 3.524 3.960 -1.464 0.000 0.298 544 G C -2.676 171.744 174.900 -0.799 0.000 1.471 544 G CA -0.690 44.080 45.100 -0.550 0.000 0.912 544 G HN 0.545 nan 8.290 nan 0.000 0.553 545 D N 1.073 121.228 120.400 -0.409 0.000 2.476 545 D HA 0.524 4.285 4.640 -1.464 0.000 0.251 545 D C 1.190 177.442 176.300 -0.079 0.000 1.291 545 D CA 0.662 54.503 54.000 -0.266 0.000 0.939 545 D CB 1.109 41.833 40.800 -0.126 0.000 1.221 545 D HN 0.547 nan 8.370 nan 0.000 0.567 546 T N 2.390 116.915 114.554 -0.048 0.000 12.940 546 T HA -0.286 3.186 4.350 -1.464 0.000 0.419 546 T C 0.606 175.359 174.700 0.088 0.000 1.444 546 T CA 1.878 64.007 62.100 0.048 0.000 2.373 546 T CB -1.093 67.763 68.868 -0.020 0.000 2.821 546 T HN 0.635 nan 8.240 nan 0.000 0.696 547 D N 1.270 121.715 120.400 0.075 0.000 2.636 547 D HA 0.362 4.123 4.640 -1.464 0.000 0.270 547 D C -0.005 176.431 176.300 0.226 0.000 1.430 547 D CA 0.507 54.625 54.000 0.196 0.000 0.796 547 D CB -0.009 40.880 40.800 0.149 0.000 1.117 547 D HN 0.733 nan 8.370 nan 0.000 0.480 548 S N -0.220 115.544 115.700 0.108 0.000 2.568 548 S HA 0.788 4.379 4.470 -1.464 0.000 0.293 548 S C -0.396 174.234 174.600 0.049 0.000 1.089 548 S CA -0.470 57.753 58.200 0.038 0.000 0.945 548 S CB 1.985 65.196 63.200 0.019 0.000 1.077 548 S HN 0.197 nan 8.310 nan 0.000 0.485 549 T N 0.019 114.570 114.554 -0.006 0.000 2.879 549 T HA 0.615 4.086 4.350 -1.464 0.000 0.290 549 T C -1.046 173.648 174.700 -0.010 0.000 0.993 549 T CA -0.531 61.601 62.100 0.054 0.000 0.975 549 T CB 0.271 69.160 68.868 0.036 0.000 0.981 549 T HN 0.515 nan 8.240 nan 0.000 0.439 550 F N 2.239 122.104 119.950 -0.142 0.000 2.391 550 F HA 0.509 4.157 4.527 -1.466 0.000 0.359 550 F C 0.153 175.857 175.800 -0.160 0.000 1.122 550 F CA -1.032 56.844 58.000 -0.206 0.000 1.120 550 F CB 1.382 40.210 39.000 -0.286 0.000 1.142 550 F HN 0.337 nan 8.300 nan 0.000 0.483 551 V N 3.338 123.224 119.914 -0.046 0.000 2.370 551 V HA 0.093 3.334 4.120 -1.464 0.000 0.279 551 V C -0.674 175.436 176.094 0.027 0.000 1.029 551 V CA -0.852 61.437 62.300 -0.019 0.000 0.870 551 V CB 0.976 32.724 31.823 -0.125 0.000 0.984 551 V HN 0.669 nan 8.190 nan 0.000 0.451 552 W N 7.249 128.483 121.300 -0.110 0.000 2.358 552 W HA 0.561 4.342 4.660 -1.465 0.000 0.307 552 W C -0.783 175.742 176.519 0.011 0.000 1.203 552 W CA -1.566 55.726 57.345 -0.089 0.000 1.279 552 W CB 0.653 30.071 29.460 -0.069 0.000 1.264 552 W HN 0.431 nan 8.180 nan 0.000 0.474 553 L N 8.105 129.383 121.223 0.092 0.000 2.264 553 L HA 0.330 3.791 4.340 -1.464 0.000 0.287 553 L C 0.526 177.367 176.870 -0.049 0.000 1.039 553 L CA -0.770 53.999 54.840 -0.117 0.000 0.829 553 L CB 0.393 42.153 42.059 -0.497 0.000 1.211 553 L HN 0.292 nan 8.230 nan 0.000 0.427 554 K N 2.261 122.506 120.400 -0.260 0.000 2.258 554 K HA 0.637 4.078 4.320 -1.464 0.000 0.264 554 K C 0.692 177.382 176.600 0.150 0.000 1.007 554 K CA 0.146 56.323 56.287 -0.183 0.000 0.941 554 K CB 1.012 33.233 32.500 -0.466 0.000 0.966 554 K HN 0.760 nan 8.250 nan 0.000 0.480 555 G N 0.310 109.204 108.800 0.157 0.000 2.627 555 G HA2 -0.031 3.051 3.960 -1.464 0.000 0.214 555 G HA3 -0.031 3.051 3.960 -1.464 0.000 0.214 555 G C -1.058 173.899 174.900 0.095 0.000 1.331 555 G CA -0.558 44.592 45.100 0.084 0.000 0.891 555 G HN 0.775 nan 8.290 nan 0.000 0.539 556 A N 0.214 122.988 122.820 -0.078 0.000 2.320 556 A HA 0.744 4.185 4.320 -1.464 0.000 0.287 556 A C -0.183 177.233 177.584 -0.280 0.000 1.181 556 A CA 0.231 52.228 52.037 -0.066 0.000 0.831 556 A CB 0.341 19.308 19.000 -0.055 0.000 1.102 556 A HN 1.204 nan 8.150 nan 0.000 0.513 557 H N 0.887 119.989 119.070 0.054 0.000 2.782 557 H HA 0.456 4.134 4.556 -1.464 0.000 0.347 557 H C 0.258 175.600 175.328 0.024 0.000 1.038 557 H CA 0.064 56.119 56.048 0.011 0.000 1.255 557 H CB 1.902 31.645 29.762 -0.031 0.000 1.623 557 H HN 0.770 nan 8.280 nan 0.000 0.525 558 S N 1.767 117.521 115.700 0.090 0.000 2.645 558 S HA 0.115 3.706 4.470 -1.464 0.000 0.266 558 S C 1.097 175.720 174.600 0.038 0.000 1.258 558 S CA -0.713 57.529 58.200 0.070 0.000 0.990 558 S CB 1.243 64.461 63.200 0.030 0.000 0.967 558 S HN 0.632 nan 8.310 nan 0.000 0.556 559 E N 0.949 121.192 120.200 0.073 0.000 2.077 559 E HA -0.171 3.301 4.350 -1.464 0.000 0.193 559 E C 1.834 178.428 176.600 -0.011 0.000 0.989 559 E CA 1.578 58.021 56.400 0.072 0.000 0.800 559 E CB -0.479 29.282 29.700 0.101 0.000 0.746 559 E HN 0.916 nan 8.360 nan 0.000 0.452 560 E N 0.529 120.725 120.200 -0.007 0.000 2.072 560 E HA -0.218 3.254 4.350 -1.464 0.000 0.191 560 E C 1.996 178.560 176.600 -0.059 0.000 0.985 560 E CA 1.367 57.751 56.400 -0.026 0.000 0.801 560 E CB 0.064 29.756 29.700 -0.013 0.000 0.750 560 E HN 0.119 nan 8.360 nan 0.000 0.452 561 E N 0.309 120.479 120.200 -0.049 0.000 2.107 561 E HA -0.113 3.359 4.350 -1.464 0.000 0.191 561 E C 1.723 178.251 176.600 -0.119 0.000 0.982 561 E CA 1.314 57.687 56.400 -0.044 0.000 0.809 561 E CB -0.233 29.482 29.700 0.025 0.000 0.756 561 E HN 0.295 nan 8.360 nan 0.000 0.459 562 A N 0.914 123.597 122.820 -0.227 0.000 1.933 562 A HA 0.006 3.447 4.320 -1.464 0.000 0.218 562 A C 2.451 179.780 177.584 -0.425 0.000 1.175 562 A CA 1.806 53.567 52.037 -0.461 0.000 0.628 562 A CB -0.959 17.410 19.000 -1.050 0.000 0.814 562 A HN 0.425 nan 8.150 nan 0.000 0.444 563 A N -0.165 122.478 122.820 -0.294 0.000 1.930 563 A HA -0.115 3.326 4.320 -1.464 0.000 0.217 563 A C 2.083 179.415 177.584 -0.420 0.000 1.175 563 A CA 1.670 53.500 52.037 -0.345 0.000 0.627 563 A CB -0.367 18.602 19.000 -0.052 0.000 0.815 563 A HN 0.547 nan 8.150 nan 0.000 0.443 564 K N -0.341 119.903 120.400 -0.260 0.000 2.057 564 K HA -0.057 3.385 4.320 -1.464 0.000 0.207 564 K C 1.769 178.211 176.600 -0.262 0.000 1.049 564 K CA 1.550 57.712 56.287 -0.207 0.000 0.931 564 K CB -0.370 32.056 32.500 -0.123 0.000 0.714 564 K HN 0.522 nan 8.250 nan 0.000 0.440 565 I N 0.686 121.074 120.570 -0.303 0.000 2.179 565 I HA -0.208 3.083 4.170 -1.464 0.000 0.242 565 I C 2.539 178.390 176.117 -0.444 0.000 1.088 565 I CA 1.407 62.506 61.300 -0.335 0.000 1.357 565 I CB -0.718 37.046 38.000 -0.393 0.000 1.051 565 I HN 0.300 nan 8.210 nan 0.000 0.409 566 G N 0.690 109.091 108.800 -0.665 0.000 2.446 566 G HA2 -0.238 2.843 3.960 -1.464 0.000 0.217 566 G HA3 -0.238 2.843 3.960 -1.464 0.000 0.217 566 G C 1.821 176.382 174.900 -0.565 0.000 1.168 566 G CA 0.537 45.146 45.100 -0.819 0.000 0.771 566 G HN 0.285 nan 8.290 nan 0.000 0.551 567 R N 0.418 120.591 120.500 -0.545 0.000 2.081 567 R HA 0.029 3.490 4.340 -1.464 0.000 0.235 567 R C 3.047 179.259 176.300 -0.146 0.000 1.131 567 R CA 1.103 57.051 56.100 -0.252 0.000 0.960 567 R CB -0.380 29.808 30.300 -0.186 0.000 0.856 567 R HN 0.361 nan 8.270 nan 0.000 0.436 568 A N 1.254 123.979 122.820 -0.158 0.000 1.902 568 A HA -0.129 3.312 4.320 -1.464 0.000 0.217 568 A C 2.183 179.744 177.584 -0.038 0.000 1.181 568 A CA 1.143 53.132 52.037 -0.080 0.000 0.623 568 A CB -0.509 18.440 19.000 -0.085 0.000 0.818 568 A HN 0.168 nan 8.150 nan 0.000 0.443 569 L N -0.010 121.157 121.223 -0.094 0.000 2.017 569 L HA -0.167 3.294 4.340 -1.464 0.000 0.208 569 L C 2.723 179.605 176.870 0.020 0.000 1.073 569 L CA 1.582 56.401 54.840 -0.035 0.000 0.745 569 L CB -0.687 41.295 42.059 -0.128 0.000 0.894 569 L HN 0.465 nan 8.230 nan 0.000 0.432 570 V N -3.012 116.885 119.914 -0.028 0.000 2.515 570 V HA -0.238 3.004 4.120 -1.464 0.000 0.250 570 V C 2.392 178.519 176.094 0.054 0.000 1.058 570 V CA 1.504 63.805 62.300 0.002 0.000 1.064 570 V CB -0.703 31.111 31.823 -0.015 0.000 0.675 570 V HN 0.484 nan 8.190 nan 0.000 0.461 571 Q N 0.761 120.592 119.800 0.051 0.000 2.084 571 Q HA -0.294 3.167 4.340 -1.464 0.000 0.202 571 Q C 2.314 178.380 176.000 0.111 0.000 0.978 571 Q CA 2.679 58.526 55.803 0.073 0.000 0.844 571 Q CB -0.584 28.186 28.738 0.053 0.000 0.898 571 Q HN 0.927 nan 8.270 nan 0.000 0.426 572 H N -0.034 119.054 119.070 0.030 0.000 2.321 572 H HA -0.071 3.607 4.556 -1.463 0.000 0.300 572 H C 1.999 177.376 175.328 0.081 0.000 1.087 572 H CA 2.162 58.236 56.048 0.045 0.000 1.319 572 H CB -0.179 29.590 29.762 0.012 0.000 1.379 572 H HN 0.050 nan 8.280 nan 0.000 0.501 573 V N 1.040 120.940 119.914 -0.023 0.000 2.295 573 V HA -0.262 2.979 4.120 -1.464 0.000 0.246 573 V C 2.066 178.257 176.094 0.161 0.000 1.049 573 V CA 2.022 64.307 62.300 -0.025 0.000 1.024 573 V CB -0.499 31.386 31.823 0.104 0.000 0.648 573 V HN 0.553 nan 8.190 nan 0.000 0.447 574 N N 0.623 119.456 118.700 0.222 0.000 2.223 574 N HA -0.096 3.765 4.740 -1.464 0.000 0.185 574 N C 1.825 177.467 175.510 0.220 0.000 1.016 574 N CA 1.566 54.799 53.050 0.305 0.000 0.863 574 N CB -0.485 38.131 38.487 0.215 0.000 0.983 574 N HN 0.504 nan 8.380 nan 0.000 0.429 575 A N -0.240 122.650 122.820 0.117 0.000 1.930 575 A HA -0.122 3.319 4.320 -1.464 0.000 0.217 575 A C 2.169 179.774 177.584 0.036 0.000 1.175 575 A CA 0.931 53.007 52.037 0.066 0.000 0.627 575 A CB -1.037 17.990 19.000 0.045 0.000 0.815 575 A HN 0.475 nan 8.150 nan 0.000 0.443 576 W N -0.658 120.523 121.300 -0.197 0.000 2.358 576 W HA -0.178 3.602 4.660 -1.467 0.000 0.303 576 W C 1.944 178.339 176.519 -0.207 0.000 1.208 576 W CA 1.777 58.946 57.345 -0.294 0.000 1.274 576 W CB -0.374 28.769 29.460 -0.528 0.000 1.138 576 W HN 0.468 nan 8.180 nan 0.000 0.515 577 W N -0.126 121.301 121.300 0.212 0.000 2.388 577 W HA -0.134 3.649 4.660 -1.461 0.000 0.294 577 W C 2.600 179.066 176.519 -0.088 0.000 1.212 577 W CA 1.566 58.966 57.345 0.091 0.000 1.271 577 W CB -0.912 28.669 29.460 0.201 0.000 1.126 577 W HN -0.078 nan 8.180 nan 0.000 0.535 578 A N 0.131 123.046 122.820 0.159 0.000 1.902 578 A HA -0.262 3.180 4.320 -1.464 0.000 0.217 578 A C 1.877 179.419 177.584 -0.069 0.000 1.181 578 A CA 1.929 53.987 52.037 0.035 0.000 0.623 578 A CB -0.917 18.102 19.000 0.031 0.000 0.818 578 A HN 0.402 nan 8.150 nan 0.000 0.443 579 E N -0.221 119.887 120.200 -0.154 0.000 2.031 579 E HA -0.202 3.270 4.350 -1.464 0.000 0.193 579 E C 2.185 178.598 176.600 -0.312 0.000 0.994 579 E CA 2.150 58.408 56.400 -0.237 0.000 0.800 579 E CB -0.251 29.263 29.700 -0.310 0.000 0.752 579 E HN 0.721 nan 8.360 nan 0.000 0.447 580 T N -0.504 113.739 114.554 -0.519 0.000 2.821 580 T HA -0.108 3.363 4.350 -1.464 0.000 0.267 580 T C 2.119 176.710 174.700 -0.182 0.000 1.046 580 T CA 1.098 62.914 62.100 -0.473 0.000 1.139 580 T CB -0.439 67.913 68.868 -0.860 0.000 0.871 580 T HN 0.143 nan 8.240 nan 0.000 0.454 581 L N 0.845 122.016 121.223 -0.086 0.000 2.156 581 L HA 0.008 3.470 4.340 -1.464 0.000 0.208 581 L C 3.158 179.980 176.870 -0.079 0.000 1.095 581 L CA 1.287 56.096 54.840 -0.051 0.000 0.770 581 L CB -0.612 41.407 42.059 -0.066 0.000 0.914 581 L HN 0.378 nan 8.230 nan 0.000 0.439 582 Q N 0.713 120.461 119.800 -0.086 0.000 2.170 582 Q HA -0.229 3.232 4.340 -1.464 0.000 0.203 582 Q C 1.984 177.945 176.000 -0.066 0.000 0.976 582 Q CA 1.443 57.201 55.803 -0.075 0.000 0.858 582 Q CB 0.132 28.826 28.738 -0.073 0.000 0.907 582 Q HN 0.384 nan 8.270 nan 0.000 0.433 583 K N -0.166 120.187 120.400 -0.077 0.000 2.362 583 K HA -0.101 3.341 4.320 -1.464 0.000 0.200 583 K C 1.431 178.009 176.600 -0.037 0.000 1.046 583 K CA 0.970 57.220 56.287 -0.061 0.000 0.952 583 K CB 0.211 32.665 32.500 -0.077 0.000 0.753 583 K HN 0.342 nan 8.250 nan 0.000 0.466 584 Q N 0.064 119.844 119.800 -0.034 0.000 2.280 584 Q HA 0.163 3.625 4.340 -1.464 0.000 0.201 584 Q C -0.596 175.396 176.000 -0.013 0.000 0.890 584 Q CA -0.128 55.670 55.803 -0.008 0.000 0.947 584 Q CB 0.597 29.341 28.738 0.011 0.000 1.081 584 Q HN 0.133 nan 8.270 nan 0.000 0.502 585 R N 0.350 120.833 120.500 -0.030 0.000 3.525 585 R HA -0.180 3.281 4.340 -1.464 0.000 0.276 585 R C -0.806 175.468 176.300 -0.043 0.000 1.116 585 R CA 0.460 56.542 56.100 -0.031 0.000 0.745 585 R CB -2.035 28.256 30.300 -0.016 0.000 1.185 585 R HN 0.251 nan 8.270 nan 0.000 0.454 586 L N -0.702 120.476 121.223 -0.074 0.000 2.323 586 L HA 0.522 3.983 4.340 -1.464 0.000 0.265 586 L C 0.442 177.229 176.870 -0.138 0.000 1.012 586 L CA -0.902 53.863 54.840 -0.126 0.000 0.820 586 L CB 2.385 44.322 42.059 -0.203 0.000 1.334 586 L HN -0.109 nan 8.230 nan 0.000 0.427 587 T N 0.415 114.870 114.554 -0.165 0.000 2.770 587 T HA 0.186 3.657 4.350 -1.464 0.000 0.283 587 T C -0.140 174.442 174.700 -0.197 0.000 0.988 587 T CA -0.261 61.751 62.100 -0.146 0.000 0.957 587 T CB 1.425 70.220 68.868 -0.122 0.000 0.930 587 T HN 0.501 nan 8.240 nan 0.000 0.443 588 S N 2.002 117.613 115.700 -0.148 0.000 2.505 588 S HA 0.459 4.051 4.470 -1.464 0.000 0.276 588 S C 0.980 175.501 174.600 -0.133 0.000 1.274 588 S CA -0.501 57.610 58.200 -0.148 0.000 1.053 588 S CB 0.263 63.454 63.200 -0.015 0.000 0.919 588 S HN 0.822 nan 8.310 nan 0.000 0.490 589 A N 5.486 128.197 122.820 -0.182 0.000 2.431 589 A HA 0.391 3.833 4.320 -1.464 0.000 0.239 589 A C 0.468 178.014 177.584 -0.064 0.000 1.230 589 A CA -0.352 51.572 52.037 -0.189 0.000 0.928 589 A CB -0.078 18.728 19.000 -0.322 0.000 1.006 589 A HN 0.770 nan 8.150 nan 0.000 0.520 590 L N 1.004 122.194 121.223 -0.055 0.000 2.499 590 L HA 0.202 3.663 4.340 -1.464 0.000 0.273 590 L C 0.386 177.391 176.870 0.225 0.000 1.195 590 L CA 0.338 55.185 54.840 0.011 0.000 0.882 590 L CB 0.311 42.202 42.059 -0.280 0.000 1.133 590 L HN 0.407 nan 8.230 nan 0.000 0.483 591 E N 3.864 124.292 120.200 0.380 0.000 2.502 591 E HA 0.238 3.710 4.350 -1.464 0.000 0.261 591 E C -1.327 175.429 176.600 0.261 0.000 0.974 591 E CA -0.851 55.746 56.400 0.328 0.000 0.795 591 E CB 1.340 31.218 29.700 0.296 0.000 1.385 591 E HN 0.384 nan 8.360 nan 0.000 0.400 592 L N 3.450 124.707 121.223 0.057 0.000 2.416 592 L HA 0.285 3.747 4.340 -1.464 0.000 0.272 592 L C -0.475 176.312 176.870 -0.138 0.000 1.161 592 L CA 0.681 55.277 54.840 -0.407 0.000 0.845 592 L CB 0.767 42.523 42.059 -0.506 0.000 1.119 592 L HN 0.515 nan 8.230 nan 0.000 0.464 593 E N 3.308 123.417 120.200 -0.152 0.000 2.227 593 E HA 0.168 3.639 4.350 -1.464 0.000 0.268 593 E C -1.691 174.881 176.600 -0.047 0.000 0.907 593 E CA -0.856 55.507 56.400 -0.061 0.000 0.786 593 E CB 1.886 31.548 29.700 -0.063 0.000 1.191 593 E HN 0.493 nan 8.360 nan 0.000 0.411 594 Y N 2.198 122.417 120.300 -0.136 0.000 2.425 594 Y HA 0.116 3.787 4.550 -1.465 0.000 0.347 594 Y C 0.682 176.483 175.900 -0.165 0.000 0.976 594 Y CA 0.157 58.160 58.100 -0.160 0.000 1.190 594 Y CB 0.591 38.968 38.460 -0.138 0.000 1.136 594 Y HN 0.657 nan 8.280 nan 0.000 0.517 595 E N 2.632 122.513 120.200 -0.533 0.000 2.065 595 E HA 0.123 3.594 4.350 -1.464 0.000 0.191 595 E C -0.366 175.796 176.600 -0.730 0.000 0.960 595 E CA 0.853 56.924 56.400 -0.549 0.000 0.824 595 E CB 0.519 29.998 29.700 -0.369 0.000 0.793 595 E HN 0.657 nan 8.360 nan 0.000 0.459 596 T N -1.093 113.011 114.554 -0.751 0.000 2.894 596 T HA 0.189 3.660 4.350 -1.464 0.000 0.309 596 T C -1.412 173.003 174.700 -0.474 0.000 1.208 596 T CA -0.684 61.001 62.100 -0.692 0.000 1.016 596 T CB 1.677 70.061 68.868 -0.807 0.000 1.192 596 T HN 0.176 nan 8.240 nan 0.000 0.491 597 H N 2.081 120.880 119.070 -0.452 0.000 2.685 597 H HA 0.453 4.130 4.556 -1.465 0.000 0.307 597 H C -1.407 173.760 175.328 -0.270 0.000 1.017 597 H CA -0.756 55.157 56.048 -0.224 0.000 1.237 597 H CB 0.277 30.020 29.762 -0.032 0.000 1.409 597 H HN 0.366 nan 8.280 nan 0.000 0.488 598 F N 4.928 124.651 119.950 -0.378 0.000 2.421 598 F HA 0.071 3.719 4.527 -1.465 0.000 0.358 598 F C 1.839 177.309 175.800 -0.550 0.000 1.115 598 F CA -0.572 57.199 58.000 -0.382 0.000 1.160 598 F CB 0.638 39.541 39.000 -0.161 0.000 1.123 598 F HN 0.668 nan 8.300 nan 0.000 0.508 599 C N 1.906 120.961 119.300 -0.409 0.000 2.448 599 C HA 0.238 3.820 4.460 -1.464 0.000 0.280 599 C C 0.845 175.787 174.990 -0.080 0.000 1.398 599 C CA -0.020 58.825 59.018 -0.289 0.000 1.774 599 C CB -0.712 26.919 27.740 -0.181 0.000 1.888 599 C HN 0.582 nan 8.230 nan 0.000 0.519 600 R N -0.551 119.865 120.500 -0.140 0.000 2.698 600 R HA 0.676 4.138 4.340 -1.464 0.000 0.275 600 R C -1.838 174.298 176.300 -0.274 0.000 1.001 600 R CA -0.419 55.558 56.100 -0.205 0.000 0.896 600 R CB 1.906 31.959 30.300 -0.412 0.000 1.218 600 R HN 0.390 nan 8.270 nan 0.000 0.462 601 F N 1.629 121.377 119.950 -0.336 0.000 2.615 601 F HA 0.461 4.109 4.527 -1.465 0.000 0.312 601 F C -1.760 173.970 175.800 -0.117 0.000 1.119 601 F CA -1.006 56.783 58.000 -0.352 0.000 0.979 601 F CB 1.552 40.369 39.000 -0.304 0.000 1.266 601 F HN 0.353 nan 8.300 nan 0.000 0.444 602 L N 7.058 127.855 121.223 -0.711 0.000 2.325 602 L HA 0.694 4.155 4.340 -1.464 0.000 0.281 602 L C -1.377 175.018 176.870 -0.791 0.000 1.004 602 L CA -0.593 53.913 54.840 -0.557 0.000 0.823 602 L CB 1.438 43.296 42.059 -0.334 0.000 1.236 602 L HN 0.693 nan 8.230 nan 0.000 0.415 603 M N 9.472 128.728 119.600 -0.573 0.000 2.044 603 M HA 0.596 4.197 4.480 -1.464 0.000 0.333 603 M C -2.624 173.475 176.300 -0.336 0.000 1.004 603 M CA -2.560 52.490 55.300 -0.418 0.000 0.954 603 M CB 1.105 33.589 32.600 -0.193 0.000 1.468 603 M HN 0.329 nan 8.290 nan 0.000 0.414 604 P HA 0.326 nan 4.420 nan 0.000 0.276 604 P C -0.808 176.544 177.300 0.086 0.000 1.252 604 P CA -0.233 62.894 63.100 0.045 0.000 0.802 604 P CB 0.506 32.220 31.700 0.023 0.000 1.035 605 T N -1.705 112.952 114.554 0.172 0.000 2.902 605 T HA 0.553 4.025 4.350 -1.464 0.000 0.280 605 T C 0.911 175.619 174.700 0.013 0.000 0.992 605 T CA -0.938 61.203 62.100 0.069 0.000 1.015 605 T CB 0.203 69.087 68.868 0.027 0.000 1.044 605 T HN 0.416 nan 8.240 nan 0.000 0.520 606 I N -1.229 119.340 120.570 -0.003 0.000 2.882 606 I HA 0.373 3.664 4.170 -1.464 0.000 0.286 606 I C 0.711 176.820 176.117 -0.014 0.000 1.139 606 I CA -1.108 60.187 61.300 -0.009 0.000 1.379 606 I CB 0.416 38.414 38.000 -0.003 0.000 1.410 606 I HN 0.539 nan 8.210 nan 0.000 0.594 607 R N 2.960 123.452 120.500 -0.013 0.000 2.484 607 R HA 0.182 3.643 4.340 -1.464 0.000 0.293 607 R C 1.034 177.323 176.300 -0.018 0.000 1.023 607 R CA 1.230 57.319 56.100 -0.018 0.000 1.037 607 R CB 0.401 30.696 30.300 -0.007 0.000 0.951 607 R HN 1.135 nan 8.270 nan 0.000 0.418 608 G N 1.390 110.172 108.800 -0.029 0.000 2.179 608 G HA2 -0.279 2.802 3.960 -1.464 0.000 0.260 608 G HA3 -0.279 2.802 3.960 -1.464 0.000 0.260 608 G C -0.152 174.733 174.900 -0.025 0.000 0.977 608 G CA 0.154 45.238 45.100 -0.026 0.000 0.641 608 G HN 0.887 nan 8.290 nan 0.000 0.533 609 A N -1.110 121.694 122.820 -0.027 0.000 2.564 609 A HA 0.750 4.191 4.320 -1.464 0.000 0.288 609 A C 0.260 177.826 177.584 -0.029 0.000 1.164 609 A CA 0.370 52.394 52.037 -0.022 0.000 0.712 609 A CB 0.697 19.692 19.000 -0.008 0.000 1.303 609 A HN -0.034 nan 8.150 nan 0.000 0.418 610 D N 0.327 120.715 120.400 -0.020 0.000 2.350 610 D HA 0.096 3.858 4.640 -1.464 0.000 0.213 610 D C 0.144 176.448 176.300 0.006 0.000 1.031 610 D CA 0.772 54.761 54.000 -0.019 0.000 0.861 610 D CB 0.127 40.918 40.800 -0.016 0.000 0.926 610 D HN 0.477 nan 8.370 nan 0.000 0.520 611 T N 0.773 115.332 114.554 0.008 0.000 2.928 611 T HA 0.332 3.803 4.350 -1.464 0.000 0.305 611 T C 0.862 175.572 174.700 0.018 0.000 1.035 611 T CA -0.167 61.944 62.100 0.017 0.000 1.145 611 T CB 1.312 70.189 68.868 0.016 0.000 0.963 611 T HN 0.022 nan 8.240 nan 0.000 0.545 612 G N 1.789 110.601 108.800 0.020 0.000 2.483 612 G HA2 0.388 3.470 3.960 -1.464 0.000 0.248 612 G HA3 0.388 3.470 3.960 -1.464 0.000 0.248 612 G C 0.174 175.056 174.900 -0.030 0.000 1.248 612 G CA -0.497 44.603 45.100 -0.000 0.000 0.838 612 G HN 0.690 nan 8.290 nan 0.000 0.566 613 S N -0.047 115.610 115.700 -0.071 0.000 2.669 613 S HA 0.544 4.136 4.470 -1.464 0.000 0.270 613 S C 0.123 174.625 174.600 -0.163 0.000 1.225 613 S CA -0.508 57.640 58.200 -0.087 0.000 0.991 613 S CB 0.680 63.828 63.200 -0.087 0.000 0.987 613 S HN 0.513 nan 8.310 nan 0.000 0.552 614 K N 1.110 121.455 120.400 -0.091 0.000 2.328 614 K HA 0.422 3.863 4.320 -1.464 0.000 0.246 614 K C -0.352 176.253 176.600 0.009 0.000 0.955 614 K CA -0.889 55.381 56.287 -0.027 0.000 0.817 614 K CB 1.385 33.955 32.500 0.117 0.000 1.208 614 K HN 0.691 nan 8.250 nan 0.000 0.432 615 K N 0.908 121.393 120.400 0.142 0.000 3.274 615 K HA -0.228 3.213 4.320 -1.464 0.000 0.300 615 K C -0.716 175.859 176.600 -0.041 0.000 1.230 615 K CA 1.122 57.483 56.287 0.123 0.000 0.884 615 K CB -0.796 31.759 32.500 0.093 0.000 1.242 615 K HN 0.571 nan 8.250 nan 0.000 0.467 616 R N 0.173 120.615 120.500 -0.096 0.000 2.515 616 R HA 0.429 3.890 4.340 -1.464 0.000 0.291 616 R C -0.886 175.322 176.300 -0.153 0.000 1.046 616 R CA -0.795 55.196 56.100 -0.183 0.000 0.914 616 R CB 1.227 31.445 30.300 -0.137 0.000 1.191 616 R HN 0.191 nan 8.270 nan 0.000 0.435 617 Y N -1.084 119.097 120.300 -0.199 0.000 2.741 617 Y HA 0.789 4.460 4.550 -1.465 0.000 0.339 617 Y C -1.914 173.813 175.900 -0.288 0.000 1.226 617 Y CA -1.314 56.575 58.100 -0.353 0.000 1.072 617 Y CB 1.143 39.294 38.460 -0.515 0.000 1.331 617 Y HN 0.691 nan 8.280 nan 0.000 0.453 618 A N 0.534 123.206 122.820 -0.246 0.000 2.556 618 A HA 1.009 4.450 4.320 -1.464 0.000 0.294 618 A C -0.633 176.661 177.584 -0.483 0.000 1.091 618 A CA -0.447 51.409 52.037 -0.300 0.000 0.704 618 A CB 1.546 20.483 19.000 -0.106 0.000 1.300 618 A HN 2.004 nan 8.150 nan 0.000 0.406 619 G N -0.701 107.788 108.800 -0.518 0.000 2.646 619 G HA2 0.614 3.695 3.960 -1.464 0.000 0.291 619 G HA3 0.614 3.695 3.960 -1.464 0.000 0.291 619 G C -2.191 172.461 174.900 -0.414 0.000 1.445 619 G CA -0.533 44.134 45.100 -0.721 0.000 0.814 619 G HN 1.207 nan 8.290 nan 0.000 0.495 620 L N 0.647 121.578 121.223 -0.487 0.000 2.307 620 L HA 0.774 4.236 4.340 -1.464 0.000 0.284 620 L C -0.546 176.298 176.870 -0.043 0.000 1.023 620 L CA -0.796 53.885 54.840 -0.265 0.000 0.810 620 L CB 1.244 43.051 42.059 -0.419 0.000 1.231 620 L HN 0.428 nan 8.230 nan 0.000 0.423 621 I N 3.992 124.537 120.570 -0.041 0.000 2.406 621 I HA 0.347 3.638 4.170 -1.464 0.000 0.290 621 I C -0.682 175.384 176.117 -0.086 0.000 0.999 621 I CA -0.806 60.427 61.300 -0.111 0.000 1.124 621 I CB 1.917 39.825 38.000 -0.153 0.000 1.289 621 I HN 0.564 nan 8.210 nan 0.000 0.441 622 Q N 6.828 126.572 119.800 -0.092 0.000 2.303 622 Q HA 0.304 3.765 4.340 -1.464 0.000 0.257 622 Q C -1.225 174.756 176.000 -0.032 0.000 0.941 622 Q CA -0.171 55.607 55.803 -0.042 0.000 0.931 622 Q CB 0.902 29.631 28.738 -0.017 0.000 1.215 622 Q HN 0.547 nan 8.270 nan 0.000 0.437 623 E N 3.406 123.592 120.200 -0.024 0.000 2.244 623 E HA 0.559 4.031 4.350 -1.464 0.000 0.260 623 E C 0.208 176.803 176.600 -0.008 0.000 0.884 623 E CA -0.650 55.737 56.400 -0.022 0.000 0.777 623 E CB 1.285 30.964 29.700 -0.036 0.000 1.197 623 E HN 0.840 nan 8.360 nan 0.000 0.416 624 G N 4.177 112.976 108.800 -0.002 0.000 2.611 624 G HA2 -0.351 2.730 3.960 -1.464 0.000 0.301 624 G HA3 -0.351 2.730 3.960 -1.464 0.000 0.301 624 G C 0.117 175.020 174.900 0.006 0.000 1.233 624 G CA 0.575 45.676 45.100 0.003 0.000 0.993 624 G HN 0.635 nan 8.290 nan 0.000 0.553 625 D N 1.141 121.545 120.400 0.006 0.000 2.342 625 D HA 0.210 3.971 4.640 -1.464 0.000 0.221 625 D C 0.866 177.172 176.300 0.009 0.000 1.101 625 D CA 0.417 54.423 54.000 0.009 0.000 0.837 625 D CB 0.291 41.098 40.800 0.010 0.000 0.938 625 D HN 0.471 nan 8.370 nan 0.000 0.508 626 K N 1.014 121.417 120.400 0.005 0.000 2.182 626 K HA 0.321 3.762 4.320 -1.464 0.000 0.262 626 K C -0.591 176.009 176.600 0.001 0.000 0.957 626 K CA -0.452 55.838 56.287 0.005 0.000 0.842 626 K CB 1.426 33.927 32.500 0.003 0.000 1.099 626 K HN -0.140 nan 8.250 nan 0.000 0.438 627 Q N 2.554 122.358 119.800 0.008 0.000 2.306 627 Q HA 0.396 3.857 4.340 -1.464 0.000 0.265 627 Q C -0.892 175.115 176.000 0.011 0.000 1.022 627 Q CA -0.901 54.904 55.803 0.004 0.000 0.853 627 Q CB 2.592 31.338 28.738 0.014 0.000 1.327 627 Q HN 0.531 nan 8.270 nan 0.000 0.449 628 R N 1.988 122.490 120.500 0.003 0.000 2.673 628 R HA 0.552 4.014 4.340 -1.464 0.000 0.281 628 R C -1.345 174.968 176.300 0.022 0.000 0.991 628 R CA -0.490 55.620 56.100 0.017 0.000 0.896 628 R CB 1.501 31.801 30.300 0.000 0.000 1.201 628 R HN 0.602 nan 8.270 nan 0.000 0.457 629 M N 3.265 122.893 119.600 0.047 0.000 2.423 629 M HA 0.403 4.005 4.480 -1.464 0.000 0.335 629 M C -0.984 175.307 176.300 -0.014 0.000 1.177 629 M CA -1.060 54.243 55.300 0.005 0.000 1.038 629 M CB 2.206 34.830 32.600 0.040 0.000 1.641 629 M HN 0.361 nan 8.290 nan 0.000 0.455 630 V N 3.309 123.173 119.914 -0.084 0.000 2.487 630 V HA 0.493 3.734 4.120 -1.464 0.000 0.298 630 V C -1.253 174.687 176.094 -0.257 0.000 1.028 630 V CA -0.506 61.794 62.300 0.000 0.000 0.860 630 V CB 1.741 33.736 31.823 0.287 0.000 0.991 630 V HN 0.586 nan 8.190 nan 0.000 0.427 631 F N 4.424 124.370 119.950 -0.007 0.000 2.467 631 F HA 0.643 4.291 4.527 -1.465 0.000 0.336 631 F C 0.290 175.967 175.800 -0.206 0.000 1.123 631 F CA -0.790 57.133 58.000 -0.129 0.000 0.964 631 F CB 1.947 40.842 39.000 -0.176 0.000 1.136 631 F HN 0.157 nan 8.300 nan 0.000 0.447 632 K N 1.794 122.051 120.400 -0.238 0.000 2.394 632 K HA 0.520 3.962 4.320 -1.464 0.000 0.260 632 K C 0.749 177.150 176.600 -0.332 0.000 0.967 632 K CA -0.125 55.930 56.287 -0.386 0.000 0.855 632 K CB 1.325 33.288 32.500 -0.896 0.000 1.101 632 K HN 0.789 nan 8.250 nan 0.000 0.433 633 G N 2.196 110.881 108.800 -0.191 0.000 2.302 633 G HA2 -0.314 2.767 3.960 -1.464 0.000 0.263 633 G HA3 -0.314 2.767 3.960 -1.464 0.000 0.263 633 G C 0.357 175.146 174.900 -0.186 0.000 0.995 633 G CA 0.399 45.405 45.100 -0.156 0.000 0.622 633 G HN 0.461 nan 8.290 nan 0.000 0.538 634 L N 0.164 121.260 121.223 -0.212 0.000 2.474 634 L HA 0.343 3.805 4.340 -1.464 0.000 0.259 634 L C 2.019 178.631 176.870 -0.431 0.000 1.232 634 L CA -0.109 54.552 54.840 -0.297 0.000 0.821 634 L CB 0.259 42.178 42.059 -0.233 0.000 1.108 634 L HN 0.136 nan 8.230 nan 0.000 0.495 635 E N -0.102 119.705 120.200 -0.655 0.000 2.147 635 E HA -0.218 3.253 4.350 -1.464 0.000 0.199 635 E C 1.859 178.139 176.600 -0.534 0.000 1.005 635 E CA 1.799 57.658 56.400 -0.901 0.000 0.810 635 E CB -0.218 28.704 29.700 -1.297 0.000 0.736 635 E HN 0.676 nan 8.360 nan 0.000 0.460 636 T N -0.300 113.911 114.554 -0.572 0.000 2.803 636 T HA -0.113 3.359 4.350 -1.464 0.000 0.269 636 T C 1.407 175.903 174.700 -0.340 0.000 1.052 636 T CA 1.407 63.175 62.100 -0.552 0.000 1.136 636 T CB -0.025 68.192 68.868 -1.085 0.000 0.864 636 T HN 0.182 nan 8.240 nan 0.000 0.467 637 V N -0.770 118.979 119.914 -0.276 0.000 3.249 637 V HA 0.489 3.730 4.120 -1.464 0.000 0.338 637 V C 0.334 176.376 176.094 -0.086 0.000 1.363 637 V CA -0.444 61.773 62.300 -0.138 0.000 1.205 637 V CB -0.607 31.164 31.823 -0.086 0.000 1.164 637 V HN 0.117 nan 8.190 nan 0.000 0.458 638 R N 0.990 121.440 120.500 -0.083 0.000 2.360 638 R HA 0.380 3.841 4.340 -1.464 0.000 0.318 638 R C 1.363 177.735 176.300 0.121 0.000 0.950 638 R CA 0.379 56.497 56.100 0.030 0.000 0.837 638 R CB 1.784 32.111 30.300 0.045 0.000 1.165 638 R HN 0.518 nan 8.270 nan 0.000 0.458 639 T N -2.244 112.376 114.554 0.110 0.000 3.025 639 T HA -0.135 3.336 4.350 -1.464 0.000 0.270 639 T C 0.937 175.726 174.700 0.148 0.000 1.126 639 T CA 1.164 63.331 62.100 0.113 0.000 1.105 639 T CB -0.143 68.784 68.868 0.098 0.000 0.884 639 T HN 0.573 nan 8.240 nan 0.000 0.522 640 D N -1.335 119.191 120.400 0.210 0.000 2.342 640 D HA 0.103 3.864 4.640 -1.464 0.000 0.221 640 D C -0.341 176.066 176.300 0.177 0.000 1.101 640 D CA -0.636 53.475 54.000 0.185 0.000 0.837 640 D CB -0.409 40.473 40.800 0.137 0.000 0.938 640 D HN 0.501 nan 8.370 nan 0.000 0.508 641 W N 1.356 122.681 121.300 0.041 0.000 2.578 641 W HA 0.414 4.195 4.660 -1.465 0.000 0.353 641 W C 0.691 177.146 176.519 -0.107 0.000 1.088 641 W CA -0.801 56.545 57.345 0.002 0.000 1.235 641 W CB 1.249 30.691 29.460 -0.030 0.000 1.362 641 W HN -0.219 nan 8.180 nan 0.000 0.592 642 T N -0.557 113.965 114.554 -0.055 0.000 2.868 642 T HA 0.185 3.656 4.350 -1.464 0.000 0.292 642 T C -1.963 172.723 174.700 -0.022 0.000 1.028 642 T CA -1.228 60.773 62.100 -0.165 0.000 1.059 642 T CB 1.378 70.069 68.868 -0.295 0.000 0.991 642 T HN 0.101 nan 8.240 nan 0.000 0.531 643 P HA -0.039 nan 4.420 nan 0.000 0.216 643 P C 1.732 179.028 177.300 -0.007 0.000 1.150 643 P CA 0.310 63.395 63.100 -0.024 0.000 0.837 643 P CB -0.072 31.606 31.700 -0.037 0.000 0.786 644 L N -0.195 121.011 121.223 -0.029 0.000 1.990 644 L HA -0.197 3.264 4.340 -1.464 0.000 0.213 644 L C 2.182 179.095 176.870 0.071 0.000 1.072 644 L CA 2.445 57.278 54.840 -0.012 0.000 0.755 644 L CB -1.407 40.609 42.059 -0.070 0.000 0.889 644 L HN -0.103 nan 8.230 nan 0.000 0.432 645 A N -1.279 121.607 122.820 0.111 0.000 1.898 645 A HA -0.209 3.232 4.320 -1.464 0.000 0.216 645 A C 2.168 179.811 177.584 0.099 0.000 1.181 645 A CA 1.612 53.769 52.037 0.199 0.000 0.620 645 A CB -0.577 18.646 19.000 0.371 0.000 0.819 645 A HN 0.685 nan 8.150 nan 0.000 0.442 646 Q N -0.923 118.890 119.800 0.022 0.000 2.084 646 Q HA -0.251 3.211 4.340 -1.464 0.000 0.202 646 Q C 2.324 178.257 176.000 -0.112 0.000 0.978 646 Q CA 1.728 57.463 55.803 -0.114 0.000 0.844 646 Q CB -0.198 28.483 28.738 -0.095 0.000 0.898 646 Q HN 0.844 nan 8.270 nan 0.000 0.426 647 Q N -0.073 119.727 119.800 0.001 0.000 2.079 647 Q HA -0.178 3.284 4.340 -1.464 0.000 0.200 647 Q C 1.885 177.971 176.000 0.143 0.000 0.974 647 Q CA 0.986 56.817 55.803 0.046 0.000 0.840 647 Q CB -0.071 28.715 28.738 0.080 0.000 0.898 647 Q HN 0.306 nan 8.270 nan 0.000 0.430 648 F N 1.576 121.549 119.950 0.038 0.000 2.095 648 F HA -0.247 3.401 4.527 -1.464 0.000 0.298 648 F C 2.344 178.189 175.800 0.075 0.000 1.104 648 F CA 2.210 60.289 58.000 0.131 0.000 1.232 648 F CB -0.550 38.499 39.000 0.083 0.000 0.987 648 F HN 0.175 nan 8.300 nan 0.000 0.475 649 Q N -0.143 119.570 119.800 -0.146 0.000 2.050 649 Q HA -0.266 3.196 4.340 -1.464 0.000 0.202 649 Q C 2.283 178.053 176.000 -0.384 0.000 0.980 649 Q CA 2.102 57.659 55.803 -0.409 0.000 0.840 649 Q CB -0.229 28.160 28.738 -0.583 0.000 0.898 649 Q HN 0.593 nan 8.270 nan 0.000 0.424 650 Q N 0.035 119.636 119.800 -0.331 0.000 2.050 650 Q HA -0.200 3.262 4.340 -1.464 0.000 0.202 650 Q C 1.964 177.954 176.000 -0.018 0.000 0.980 650 Q CA 1.745 57.472 55.803 -0.127 0.000 0.840 650 Q CB 0.033 28.701 28.738 -0.117 0.000 0.898 650 Q HN 0.440 nan 8.270 nan 0.000 0.424 651 E N 0.129 120.283 120.200 -0.078 0.000 2.106 651 E HA -0.180 3.292 4.350 -1.464 0.000 0.192 651 E C 1.853 178.289 176.600 -0.273 0.000 0.984 651 E CA 0.670 56.956 56.400 -0.190 0.000 0.806 651 E CB 0.019 29.565 29.700 -0.257 0.000 0.750 651 E HN 0.149 nan 8.360 nan 0.000 0.458 652 L N -0.222 120.871 121.223 -0.217 0.000 2.072 652 L HA -0.141 3.320 4.340 -1.464 0.000 0.205 652 L C 1.833 178.597 176.870 -0.177 0.000 1.079 652 L CA 1.682 56.398 54.840 -0.207 0.000 0.752 652 L CB -0.469 41.372 42.059 -0.363 0.000 0.906 652 L HN 0.177 nan 8.230 nan 0.000 0.436 653 Y N -1.592 118.486 120.300 -0.369 0.000 2.181 653 Y HA -0.265 3.406 4.550 -1.465 0.000 0.288 653 Y C 2.395 177.959 175.900 -0.559 0.000 1.146 653 Y CA 0.973 58.719 58.100 -0.589 0.000 1.164 653 Y CB -0.086 38.127 38.460 -0.411 0.000 0.982 653 Y HN 0.252 nan 8.280 nan 0.000 0.515 654 L N 0.595 121.801 121.223 -0.029 0.000 2.046 654 L HA -0.206 3.256 4.340 -1.464 0.000 0.208 654 L C 2.230 179.104 176.870 0.008 0.000 1.077 654 L CA 1.670 56.551 54.840 0.068 0.000 0.747 654 L CB -0.595 41.508 42.059 0.073 0.000 0.896 654 L HN 0.045 nan 8.230 nan 0.000 0.432 655 R N -0.672 119.785 120.500 -0.072 0.000 2.070 655 R HA -0.131 3.330 4.340 -1.464 0.000 0.233 655 R C 2.308 178.595 176.300 -0.023 0.000 1.137 655 R CA 2.016 58.095 56.100 -0.035 0.000 0.945 655 R CB -0.483 29.799 30.300 -0.031 0.000 0.845 655 R HN 0.381 nan 8.270 nan 0.000 0.430 656 I N -0.042 120.433 120.570 -0.158 0.000 2.286 656 I HA -0.264 3.027 4.170 -1.464 0.000 0.248 656 I C 1.751 177.842 176.117 -0.045 0.000 1.115 656 I CA 1.050 62.234 61.300 -0.193 0.000 1.392 656 I CB -0.211 37.516 38.000 -0.456 0.000 1.065 656 I HN 0.069 nan 8.210 nan 0.000 0.418 657 F N 1.079 120.976 119.950 -0.088 0.000 2.216 657 F HA -0.119 3.529 4.527 -1.465 0.000 0.300 657 F C 2.299 178.086 175.800 -0.022 0.000 1.085 657 F CA 1.230 59.192 58.000 -0.064 0.000 1.326 657 F CB -0.716 38.253 39.000 -0.052 0.000 1.027 657 F HN -0.018 nan 8.300 nan 0.000 0.497 658 R N 0.209 120.816 120.500 0.178 0.000 2.334 658 R HA 0.075 3.537 4.340 -1.464 0.000 0.220 658 R C 0.115 176.466 176.300 0.085 0.000 0.917 658 R CA 0.062 56.228 56.100 0.111 0.000 1.073 658 R CB -0.300 30.051 30.300 0.085 0.000 1.056 658 R HN 0.168 nan 8.270 nan 0.000 0.506 659 N N 1.552 120.305 118.700 0.089 0.000 2.725 659 N HA -0.194 3.667 4.740 -1.464 0.000 0.249 659 N C -0.838 174.723 175.510 0.084 0.000 1.103 659 N CA 1.205 54.304 53.050 0.082 0.000 0.707 659 N CB -0.793 37.737 38.487 0.072 0.000 1.043 659 N HN 0.510 nan 8.380 nan 0.000 0.553 660 E N 0.308 120.561 120.200 0.088 0.000 2.280 660 E HA 0.402 3.873 4.350 -1.464 0.000 0.261 660 E C -2.248 174.425 176.600 0.123 0.000 1.088 660 E CA -1.600 54.849 56.400 0.081 0.000 0.915 660 E CB 0.541 30.275 29.700 0.057 0.000 1.141 660 E HN 0.001 nan 8.360 nan 0.000 0.433 661 P HA -0.014 nan 4.420 nan 0.000 0.271 661 P C -0.858 176.473 177.300 0.052 0.000 1.216 661 P CA 0.452 63.545 63.100 -0.012 0.000 0.776 661 P CB 0.173 31.852 31.700 -0.036 0.000 0.881 662 Y N -0.572 119.759 120.300 0.051 0.000 2.515 662 Y HA 0.285 3.956 4.550 -1.464 0.000 0.267 662 Y C 1.601 177.590 175.900 0.149 0.000 1.058 662 Y CA -0.116 58.045 58.100 0.101 0.000 1.231 662 Y CB -0.653 37.840 38.460 0.056 0.000 1.350 662 Y HN 0.127 nan 8.280 nan 0.000 0.554 663 Q N 1.153 120.615 119.800 -0.564 0.000 2.061 663 Q HA -0.215 3.246 4.340 -1.464 0.000 0.204 663 Q C 1.660 177.645 176.000 -0.026 0.000 0.984 663 Q CA 2.153 57.813 55.803 -0.238 0.000 0.846 663 Q CB -0.037 28.516 28.738 -0.308 0.000 0.902 663 Q HN 0.445 nan 8.270 nan 0.000 0.421 664 E N 0.279 120.466 120.200 -0.020 0.000 2.110 664 E HA -0.199 3.272 4.350 -1.464 0.000 0.193 664 E C 1.606 178.258 176.600 0.087 0.000 0.988 664 E CA 1.036 57.449 56.400 0.021 0.000 0.804 664 E CB -0.320 29.391 29.700 0.019 0.000 0.745 664 E HN 0.424 nan 8.360 nan 0.000 0.458 665 Y N -0.139 120.199 120.300 0.063 0.000 2.181 665 Y HA -0.188 3.483 4.550 -1.464 0.000 0.288 665 Y C 1.997 178.013 175.900 0.193 0.000 1.146 665 Y CA 1.670 59.843 58.100 0.121 0.000 1.164 665 Y CB -0.378 38.169 38.460 0.146 0.000 0.982 665 Y HN -0.057 nan 8.280 nan 0.000 0.515 666 V N 0.978 121.002 119.914 0.183 0.000 2.295 666 V HA -0.305 2.936 4.120 -1.464 0.000 0.246 666 V C 2.453 178.537 176.094 -0.017 0.000 1.049 666 V CA 2.340 64.760 62.300 0.200 0.000 1.024 666 V CB -0.592 31.466 31.823 0.392 0.000 0.648 666 V HN 0.351 nan 8.190 nan 0.000 0.447 667 R N -0.262 120.218 120.500 -0.033 0.000 2.091 667 R HA -0.220 3.242 4.340 -1.464 0.000 0.238 667 R C 2.342 178.576 176.300 -0.110 0.000 1.136 667 R CA 1.746 57.793 56.100 -0.088 0.000 0.959 667 R CB -0.302 29.954 30.300 -0.072 0.000 0.856 667 R HN 0.460 nan 8.270 nan 0.000 0.437 668 E N 0.005 120.139 120.200 -0.110 0.000 2.106 668 E HA -0.108 3.363 4.350 -1.464 0.000 0.192 668 E C 1.693 178.183 176.600 -0.184 0.000 0.984 668 E CA 1.603 57.931 56.400 -0.120 0.000 0.806 668 E CB -0.039 29.615 29.700 -0.077 0.000 0.750 668 E HN 0.157 nan 8.360 nan 0.000 0.458 669 T N 0.394 114.773 114.554 -0.292 0.000 2.737 669 T HA -0.081 3.390 4.350 -1.464 0.000 0.265 669 T C 1.890 176.432 174.700 -0.262 0.000 1.038 669 T CA 1.339 63.242 62.100 -0.329 0.000 1.144 669 T CB -0.233 68.345 68.868 -0.483 0.000 0.866 669 T HN 0.143 nan 8.240 nan 0.000 0.434 670 I N 0.983 121.416 120.570 -0.230 0.000 2.226 670 I HA -0.170 3.121 4.170 -1.464 0.000 0.245 670 I C 2.443 178.468 176.117 -0.153 0.000 1.100 670 I CA 1.334 62.529 61.300 -0.175 0.000 1.374 670 I CB -0.312 37.604 38.000 -0.139 0.000 1.057 670 I HN 0.179 nan 8.210 nan 0.000 0.413 671 D N 0.938 121.253 120.400 -0.142 0.000 2.117 671 D HA -0.185 3.576 4.640 -1.464 0.000 0.197 671 D C 2.184 178.397 176.300 -0.145 0.000 0.987 671 D CA 1.402 55.328 54.000 -0.125 0.000 0.829 671 D CB 0.100 40.839 40.800 -0.101 0.000 0.961 671 D HN 0.136 nan 8.370 nan 0.000 0.460 672 K N -0.491 119.817 120.400 -0.152 0.000 2.097 672 K HA -0.107 3.335 4.320 -1.464 0.000 0.205 672 K C 1.990 178.457 176.600 -0.221 0.000 1.050 672 K CA 0.568 56.760 56.287 -0.159 0.000 0.938 672 K CB -0.144 32.277 32.500 -0.133 0.000 0.718 672 K HN 0.143 nan 8.250 nan 0.000 0.442 673 L N 0.849 121.929 121.223 -0.238 0.000 2.017 673 L HA -0.141 3.321 4.340 -1.464 0.000 0.208 673 L C 1.913 178.467 176.870 -0.526 0.000 1.073 673 L CA 1.764 56.420 54.840 -0.308 0.000 0.745 673 L CB -0.303 41.635 42.059 -0.201 0.000 0.894 673 L HN 0.121 nan 8.230 nan 0.000 0.432 674 M N -0.421 118.966 119.600 -0.354 0.000 2.460 674 M HA 0.037 3.638 4.480 -1.464 0.000 0.263 674 M C 1.919 178.002 176.300 -0.362 0.000 1.071 674 M CA 1.208 56.305 55.300 -0.338 0.000 1.096 674 M CB -1.661 30.862 32.600 -0.128 0.000 1.408 674 M HN 0.479 nan 8.290 nan 0.000 0.463 675 A N -0.458 122.171 122.820 -0.319 0.000 2.379 675 A HA 0.491 3.932 4.320 -1.464 0.000 0.236 675 A C 1.546 178.983 177.584 -0.244 0.000 1.272 675 A CA 0.515 52.423 52.037 -0.214 0.000 0.886 675 A CB -0.764 18.152 19.000 -0.139 0.000 0.962 675 A HN 0.598 nan 8.150 nan 0.000 0.504 676 G N -0.046 108.461 108.800 -0.489 0.000 2.225 676 G HA2 -0.285 2.796 3.960 -1.464 0.000 0.267 676 G HA3 -0.285 2.796 3.960 -1.464 0.000 0.267 676 G C 0.356 175.168 174.900 -0.147 0.000 1.024 676 G CA 0.722 45.623 45.100 -0.333 0.000 0.784 676 G HN 0.660 nan 8.290 nan 0.000 0.507 677 E N -1.005 119.089 120.200 -0.177 0.000 2.472 677 E HA 0.265 3.736 4.350 -1.464 0.000 0.196 677 E C 1.692 178.236 176.600 -0.094 0.000 1.033 677 E CA 0.072 56.410 56.400 -0.104 0.000 0.886 677 E CB 0.237 29.878 29.700 -0.097 0.000 0.944 677 E HN 0.585 nan 8.360 nan 0.000 0.492 678 L N 0.841 121.989 121.223 -0.125 0.000 3.110 678 L HA 0.178 3.639 4.340 -1.464 0.000 0.266 678 L C 0.465 177.276 176.870 -0.097 0.000 1.257 678 L CA -0.288 54.488 54.840 -0.107 0.000 1.038 678 L CB 0.437 42.414 42.059 -0.137 0.000 1.395 678 L HN -0.105 nan 8.230 nan 0.000 0.566 679 D N 1.746 122.116 120.400 -0.050 0.000 2.182 679 D HA -0.186 3.575 4.640 -1.464 0.000 0.201 679 D C 2.193 178.454 176.300 -0.065 0.000 0.986 679 D CA 1.462 55.444 54.000 -0.030 0.000 0.847 679 D CB 0.241 41.058 40.800 0.029 0.000 0.942 679 D HN 0.384 nan 8.370 nan 0.000 0.467 680 A N 0.342 123.131 122.820 -0.051 0.000 2.178 680 A HA -0.120 3.321 4.320 -1.464 0.000 0.218 680 A C 1.797 179.342 177.584 -0.065 0.000 1.157 680 A CA 0.818 52.827 52.037 -0.046 0.000 0.689 680 A CB -0.225 18.758 19.000 -0.029 0.000 0.787 680 A HN 0.170 nan 8.150 nan 0.000 0.465 681 R N -0.758 119.683 120.500 -0.098 0.000 2.362 681 R HA 0.308 3.769 4.340 -1.464 0.000 0.227 681 R C 0.478 176.670 176.300 -0.179 0.000 0.905 681 R CA -0.030 56.003 56.100 -0.111 0.000 1.067 681 R CB 0.035 30.278 30.300 -0.095 0.000 1.078 681 R HN 0.440 nan 8.270 nan 0.000 0.516 682 L N 0.985 122.063 121.223 -0.241 0.000 2.611 682 L HA 0.186 3.648 4.340 -1.464 0.000 0.229 682 L C 0.187 176.959 176.870 -0.165 0.000 1.137 682 L CA -0.096 54.521 54.840 -0.371 0.000 0.901 682 L CB 0.388 42.003 42.059 -0.739 0.000 1.098 682 L HN -0.134 nan 8.230 nan 0.000 0.456 683 V N -0.082 119.750 119.914 -0.136 0.000 2.555 683 V HA 0.056 3.297 4.120 -1.464 0.000 0.286 683 V C -0.214 175.757 176.094 -0.206 0.000 1.044 683 V CA -0.265 61.976 62.300 -0.098 0.000 1.026 683 V CB 0.242 32.034 31.823 -0.051 0.000 0.981 683 V HN 0.034 nan 8.190 nan 0.000 0.480 684 Y N 4.070 124.197 120.300 -0.288 0.000 2.334 684 Y HA 0.595 4.266 4.550 -1.465 0.000 0.328 684 Y C 0.560 176.240 175.900 -0.368 0.000 1.130 684 Y CA -0.349 57.479 58.100 -0.454 0.000 1.163 684 Y CB 1.170 38.995 38.460 -1.058 0.000 1.207 684 Y HN 0.476 nan 8.280 nan 0.000 0.471 685 R N 3.740 124.245 120.500 0.009 0.000 2.532 685 R HA 0.510 3.971 4.340 -1.464 0.000 0.297 685 R C -1.646 174.740 176.300 0.145 0.000 0.984 685 R CA -0.775 55.377 56.100 0.088 0.000 0.884 685 R CB 1.279 31.626 30.300 0.079 0.000 1.182 685 R HN 0.815 nan 8.270 nan 0.000 0.442 686 K N 3.177 123.702 120.400 0.209 0.000 2.542 686 K HA 0.350 3.791 4.320 -1.464 0.000 0.259 686 K C -1.116 175.611 176.600 0.212 0.000 0.932 686 K CA -0.773 55.613 56.287 0.164 0.000 0.820 686 K CB 1.852 34.396 32.500 0.074 0.000 1.345 686 K HN 0.517 nan 8.250 nan 0.000 0.432 687 R N 2.607 123.212 120.500 0.176 0.000 2.490 687 R HA 0.274 3.735 4.340 -1.464 0.000 0.280 687 R C -0.458 176.028 176.300 0.310 0.000 1.077 687 R CA -0.363 55.867 56.100 0.217 0.000 1.065 687 R CB 0.467 30.871 30.300 0.172 0.000 1.003 687 R HN 0.396 nan 8.270 nan 0.000 0.470 688 L N 4.391 125.783 121.223 0.283 0.000 2.259 688 L HA 0.299 3.761 4.340 -1.464 0.000 0.288 688 L C 1.332 178.362 176.870 0.266 0.000 1.051 688 L CA -0.033 54.978 54.840 0.285 0.000 0.824 688 L CB 0.937 43.111 42.059 0.191 0.000 1.206 688 L HN 0.494 nan 8.230 nan 0.000 0.429 689 R N 2.041 122.717 120.500 0.294 0.000 2.297 689 R HA 0.143 3.605 4.340 -1.464 0.000 0.197 689 R C 0.137 176.502 176.300 0.108 0.000 0.943 689 R CA 0.251 56.462 56.100 0.184 0.000 1.038 689 R CB 0.227 30.627 30.300 0.167 0.000 0.957 689 R HN 0.507 nan 8.270 nan 0.000 0.484 690 R N -0.101 120.462 120.500 0.106 0.000 2.837 690 R HA 0.345 3.806 4.340 -1.464 0.000 0.271 690 R C -2.758 173.526 176.300 -0.028 0.000 0.993 690 R CA -2.162 53.880 56.100 -0.097 0.000 0.931 690 R CB 1.553 31.554 30.300 -0.499 0.000 1.206 690 R HN -0.180 nan 8.270 nan 0.000 0.474 691 P HA -0.009 nan 4.420 nan 0.000 0.268 691 P C 0.262 177.574 177.300 0.021 0.000 1.205 691 P CA -0.208 62.895 63.100 0.004 0.000 0.771 691 P CB 0.594 32.280 31.700 -0.023 0.000 0.858 692 L N 3.544 124.842 121.223 0.125 0.000 2.079 692 L HA -0.218 3.243 4.340 -1.464 0.000 0.210 692 L C 2.063 179.032 176.870 0.165 0.000 1.081 692 L CA 2.341 57.311 54.840 0.217 0.000 0.752 692 L CB -1.310 40.840 42.059 0.152 0.000 0.896 692 L HN 0.408 nan 8.230 nan 0.000 0.433 693 S N -1.946 113.790 115.700 0.059 0.000 2.474 693 S HA -0.124 3.467 4.470 -1.464 0.000 0.235 693 S C 1.560 176.154 174.600 -0.011 0.000 0.997 693 S CA 0.762 58.980 58.200 0.030 0.000 0.949 693 S CB -0.569 62.636 63.200 0.009 0.000 0.766 693 S HN 0.603 nan 8.310 nan 0.000 0.517 694 E N 0.067 120.208 120.200 -0.098 0.000 2.511 694 E HA 0.007 3.479 4.350 -1.464 0.000 0.196 694 E C -0.751 175.693 176.600 -0.259 0.000 1.066 694 E CA 0.166 56.447 56.400 -0.199 0.000 0.871 694 E CB -0.079 29.459 29.700 -0.270 0.000 0.863 694 E HN 0.698 nan 8.360 nan 0.000 0.520 695 Y N 1.537 121.821 120.300 -0.026 0.000 2.600 695 Y HA 0.076 3.748 4.550 -1.464 0.000 0.351 695 Y C 1.419 177.302 175.900 -0.028 0.000 1.042 695 Y CA 0.017 58.099 58.100 -0.030 0.000 1.333 695 Y CB 0.387 38.812 38.460 -0.057 0.000 1.172 695 Y HN -0.036 nan 8.280 nan 0.000 0.517 696 Q N 1.560 121.405 119.800 0.076 0.000 2.462 696 Q HA 0.077 3.539 4.340 -1.464 0.000 0.224 696 Q C 1.791 177.817 176.000 0.043 0.000 0.911 696 Q CA 0.163 55.992 55.803 0.044 0.000 0.925 696 Q CB 0.231 28.977 28.738 0.012 0.000 1.063 696 Q HN 0.658 nan 8.270 nan 0.000 0.572 697 R N 1.483 122.011 120.500 0.048 0.000 2.105 697 R HA -0.115 3.346 4.340 -1.464 0.000 0.239 697 R C 0.589 176.914 176.300 0.040 0.000 1.135 697 R CA 1.660 57.784 56.100 0.040 0.000 0.967 697 R CB -0.040 30.285 30.300 0.043 0.000 0.861 697 R HN 0.347 nan 8.270 nan 0.000 0.442 698 N N -2.750 115.984 118.700 0.055 0.000 3.308 698 N HA 0.129 3.991 4.740 -1.464 0.000 0.276 698 N C -1.635 173.887 175.510 0.019 0.000 1.533 698 N CA -0.861 52.208 53.050 0.031 0.000 0.878 698 N CB 1.281 39.786 38.487 0.029 0.000 1.566 698 N HN -0.234 nan 8.380 nan 0.000 0.546 699 V N 0.623 120.520 119.914 -0.029 0.000 2.357 699 V HA 0.516 3.758 4.120 -1.464 0.000 0.281 699 V C -2.334 173.683 176.094 -0.127 0.000 1.015 699 V CA -1.085 61.156 62.300 -0.099 0.000 0.827 699 V CB 0.853 32.610 31.823 -0.109 0.000 1.018 699 V HN 0.648 nan 8.190 nan 0.000 0.432 700 P HA 0.220 nan 4.420 nan 0.000 0.272 700 P C -1.796 175.404 177.300 -0.166 0.000 1.223 700 P CA -1.354 61.693 63.100 -0.089 0.000 0.784 700 P CB 0.408 32.113 31.700 0.008 0.000 0.923 701 P HA -0.258 nan 4.420 nan 0.000 0.216 701 P C 1.327 178.286 177.300 -0.567 0.000 1.153 701 P CA 1.897 64.811 63.100 -0.311 0.000 0.858 701 P CB -0.450 31.152 31.700 -0.164 0.000 0.789 702 H N -0.387 118.236 119.070 -0.746 0.000 2.389 702 H HA -0.008 3.670 4.556 -1.465 0.000 0.299 702 H C 1.812 176.775 175.328 -0.609 0.000 1.081 702 H CA 0.880 56.380 56.048 -0.914 0.000 1.345 702 H CB -1.613 27.853 29.762 -0.494 0.000 1.393 702 H HN -0.042 nan 8.280 nan 0.000 0.520 703 V N 1.592 120.944 119.914 -0.937 0.000 2.427 703 V HA -0.204 3.037 4.120 -1.464 0.000 0.248 703 V C 3.059 178.852 176.094 -0.501 0.000 1.051 703 V CA 1.976 63.777 62.300 -0.831 0.000 1.048 703 V CB -0.705 30.522 31.823 -0.994 0.000 0.666 703 V HN 0.374 nan 8.190 nan 0.000 0.456 704 R N 0.357 120.592 120.500 -0.442 0.000 2.081 704 R HA -0.145 3.316 4.340 -1.464 0.000 0.235 704 R C 2.266 178.367 176.300 -0.332 0.000 1.131 704 R CA 1.673 57.572 56.100 -0.335 0.000 0.960 704 R CB -0.414 29.692 30.300 -0.324 0.000 0.856 704 R HN 0.466 nan 8.270 nan 0.000 0.436 705 A N 0.667 123.229 122.820 -0.429 0.000 1.933 705 A HA -0.060 3.382 4.320 -1.464 0.000 0.218 705 A C 2.325 179.726 177.584 -0.305 0.000 1.175 705 A CA 1.553 53.376 52.037 -0.357 0.000 0.628 705 A CB -0.641 18.098 19.000 -0.436 0.000 0.814 705 A HN 0.547 nan 8.150 nan 0.000 0.444 706 A N -0.277 122.301 122.820 -0.404 0.000 1.898 706 A HA -0.120 3.322 4.320 -1.464 0.000 0.216 706 A C 2.231 179.747 177.584 -0.114 0.000 1.181 706 A CA 1.455 53.243 52.037 -0.415 0.000 0.620 706 A CB -0.425 18.311 19.000 -0.440 0.000 0.819 706 A HN 0.520 nan 8.150 nan 0.000 0.442 707 R N -0.678 119.740 120.500 -0.136 0.000 2.096 707 R HA -0.003 3.458 4.340 -1.464 0.000 0.235 707 R C 2.026 178.297 176.300 -0.048 0.000 1.127 707 R CA 1.278 57.339 56.100 -0.065 0.000 0.968 707 R CB -0.415 29.827 30.300 -0.097 0.000 0.861 707 R HN 0.506 nan 8.270 nan 0.000 0.440 708 L N -0.231 120.941 121.223 -0.085 0.000 2.056 708 L HA -0.144 3.318 4.340 -1.464 0.000 0.207 708 L C 2.601 179.472 176.870 0.001 0.000 1.078 708 L CA 1.184 55.986 54.840 -0.063 0.000 0.749 708 L CB -0.497 41.508 42.059 -0.091 0.000 0.901 708 L HN 0.263 nan 8.230 nan 0.000 0.433 709 A N -0.413 122.454 122.820 0.079 0.000 1.902 709 A HA -0.243 3.199 4.320 -1.464 0.000 0.217 709 A C 1.930 179.663 177.584 0.248 0.000 1.181 709 A CA 2.032 54.242 52.037 0.287 0.000 0.623 709 A CB -0.492 18.755 19.000 0.412 0.000 0.818 709 A HN 0.333 nan 8.150 nan 0.000 0.443 710 D N -0.663 119.870 120.400 0.221 0.000 2.224 710 D HA -0.057 3.705 4.640 -1.464 0.000 0.205 710 D C 1.928 178.253 176.300 0.041 0.000 0.965 710 D CA 0.912 55.005 54.000 0.154 0.000 0.852 710 D CB -0.213 40.686 40.800 0.165 0.000 0.947 710 D HN 0.628 nan 8.370 nan 0.000 0.494 711 E N 0.199 120.399 120.200 -0.000 0.000 2.106 711 E HA -0.185 3.287 4.350 -1.464 0.000 0.192 711 E C 1.755 178.292 176.600 -0.106 0.000 0.984 711 E CA 0.762 57.135 56.400 -0.046 0.000 0.806 711 E CB 0.139 29.806 29.700 -0.055 0.000 0.750 711 E HN 0.102 nan 8.360 nan 0.000 0.458 712 E N 1.061 121.151 120.200 -0.183 0.000 2.106 712 E HA -0.156 3.315 4.350 -1.464 0.000 0.192 712 E C 1.673 178.041 176.600 -0.386 0.000 0.984 712 E CA 1.068 57.226 56.400 -0.403 0.000 0.806 712 E CB -0.056 29.148 29.700 -0.827 0.000 0.750 712 E HN 0.107 nan 8.360 nan 0.000 0.458 713 N N 0.837 119.417 118.700 -0.200 0.000 2.069 713 N HA -0.205 3.656 4.740 -1.464 0.000 0.191 713 N C 1.772 177.265 175.510 -0.028 0.000 1.031 713 N CA 1.762 54.798 53.050 -0.024 0.000 0.852 713 N CB -0.437 38.124 38.487 0.124 0.000 1.018 713 N HN 0.567 nan 8.380 nan 0.000 0.423 714 Q N 0.569 120.351 119.800 -0.030 0.000 2.291 714 Q HA -0.017 3.444 4.340 -1.464 0.000 0.205 714 Q C 1.275 177.249 176.000 -0.044 0.000 0.970 714 Q CA 1.085 56.876 55.803 -0.020 0.000 0.876 714 Q CB -0.204 28.528 28.738 -0.010 0.000 0.935 714 Q HN 0.206 nan 8.270 nan 0.000 0.455 715 K N 0.497 120.847 120.400 -0.083 0.000 2.365 715 K HA -0.001 3.440 4.320 -1.464 0.000 0.199 715 K C 1.332 177.882 176.600 -0.083 0.000 1.045 715 K CA 0.803 57.038 56.287 -0.086 0.000 0.962 715 K CB 0.243 32.673 32.500 -0.116 0.000 0.759 715 K HN 0.163 nan 8.250 nan 0.000 0.469 716 R N -0.922 119.526 120.500 -0.087 0.000 2.472 716 R HA 0.124 3.585 4.340 -1.464 0.000 0.279 716 R C 0.466 176.740 176.300 -0.044 0.000 0.953 716 R CA 0.362 56.417 56.100 -0.075 0.000 1.088 716 R CB 1.205 31.448 30.300 -0.096 0.000 1.197 716 R HN 0.214 nan 8.270 nan 0.000 0.536 717 G N 1.913 110.703 108.800 -0.016 0.000 2.176 717 G HA2 -0.335 2.746 3.960 -1.464 0.000 0.252 717 G HA3 -0.335 2.746 3.960 -1.464 0.000 0.252 717 G C -0.170 174.766 174.900 0.059 0.000 1.024 717 G CA 0.071 45.180 45.100 0.016 0.000 0.755 717 G HN 0.242 nan 8.290 nan 0.000 0.507 718 R N 0.063 120.612 120.500 0.082 0.000 2.598 718 R HA 0.519 3.980 4.340 -1.464 0.000 0.279 718 R C -2.436 173.981 176.300 0.196 0.000 0.984 718 R CA -2.023 54.202 56.100 0.208 0.000 0.999 718 R CB 1.039 31.491 30.300 0.254 0.000 1.114 718 R HN 0.056 nan 8.270 nan 0.000 0.493 719 P HA -0.010 nan 4.420 nan 0.000 0.267 719 P C -0.395 176.956 177.300 0.085 0.000 1.200 719 P CA 0.085 63.254 63.100 0.115 0.000 0.772 719 P CB 0.440 32.178 31.700 0.063 0.000 0.855 720 L N 2.410 123.657 121.223 0.041 0.000 2.461 720 L HA 0.077 3.538 4.340 -1.464 0.000 0.272 720 L C 1.568 178.397 176.870 -0.069 0.000 1.197 720 L CA 0.321 55.171 54.840 0.017 0.000 0.836 720 L CB -0.085 41.987 42.059 0.022 0.000 1.105 720 L HN 0.496 nan 8.230 nan 0.000 0.477 721 Q N 0.812 120.496 119.800 -0.194 0.000 2.422 721 Q HA 0.064 3.526 4.340 -1.464 0.000 0.255 721 Q C 0.318 175.959 176.000 -0.599 0.000 0.864 721 Q CA 0.444 55.947 55.803 -0.501 0.000 0.968 721 Q CB 0.566 28.767 28.738 -0.895 0.000 1.130 721 Q HN 0.608 nan 8.270 nan 0.000 0.556 722 Y N 0.395 120.728 120.300 0.055 0.000 2.607 722 Y HA 0.163 3.834 4.550 -1.465 0.000 0.266 722 Y C 1.615 177.540 175.900 0.043 0.000 1.178 722 Y CA -0.214 57.914 58.100 0.046 0.000 1.226 722 Y CB 0.567 39.046 38.460 0.033 0.000 1.144 722 Y HN 0.002 nan 8.280 nan 0.000 0.528 723 Q N 0.424 120.285 119.800 0.102 0.000 2.119 723 Q HA -0.130 3.331 4.340 -1.464 0.000 0.201 723 Q C 0.234 176.276 176.000 0.071 0.000 0.972 723 Q CA 1.139 56.990 55.803 0.080 0.000 0.847 723 Q CB -0.161 28.601 28.738 0.041 0.000 0.903 723 Q HN 0.396 nan 8.270 nan 0.000 0.433 724 N N 0.024 118.759 118.700 0.059 0.000 2.765 724 N HA 0.200 4.061 4.740 -1.464 0.000 0.277 724 N C -1.372 174.176 175.510 0.062 0.000 1.750 724 N CA -0.120 52.958 53.050 0.047 0.000 0.827 724 N CB 0.354 38.853 38.487 0.020 0.000 1.200 724 N HN 0.064 nan 8.380 nan 0.000 0.494 725 R N -0.807 119.755 120.500 0.103 0.000 3.927 725 R HA 0.014 3.476 4.340 -1.464 0.000 0.474 725 R C -0.030 176.357 176.300 0.144 0.000 0.243 725 R CA 0.684 56.859 56.100 0.124 0.000 1.488 725 R CB -1.159 29.192 30.300 0.085 0.000 1.110 725 R HN 0.613 nan 8.270 nan 0.000 0.513 726 G N -0.720 108.179 108.800 0.164 0.000 2.325 726 G HA2 0.198 3.279 3.960 -1.464 0.000 0.285 726 G HA3 0.198 3.279 3.960 -1.464 0.000 0.285 726 G C -1.475 173.559 174.900 0.224 0.000 1.303 726 G CA -0.340 44.869 45.100 0.181 0.000 0.970 726 G HN 0.628 nan 8.290 nan 0.000 0.490 727 T N 0.248 114.949 114.554 0.245 0.000 2.824 727 T HA 0.623 4.094 4.350 -1.464 0.000 0.282 727 T C -0.675 174.190 174.700 0.275 0.000 0.993 727 T CA -0.120 62.123 62.100 0.238 0.000 0.967 727 T CB 1.690 70.676 68.868 0.197 0.000 0.960 727 T HN 0.947 nan 8.240 nan 0.000 0.441 728 I N 2.754 123.450 120.570 0.209 0.000 2.474 728 I HA 0.478 3.769 4.170 -1.464 0.000 0.294 728 I C -0.817 175.430 176.117 0.216 0.000 1.005 728 I CA -0.591 60.775 61.300 0.110 0.000 1.113 728 I CB 1.086 38.969 38.000 -0.194 0.000 1.289 728 I HN 0.409 nan 8.210 nan 0.000 0.436 729 K N 7.760 128.268 120.400 0.179 0.000 2.213 729 K HA 0.501 3.942 4.320 -1.464 0.000 0.270 729 K C -1.559 175.171 176.600 0.217 0.000 1.002 729 K CA -0.498 55.885 56.287 0.160 0.000 0.868 729 K CB 1.382 33.945 32.500 0.105 0.000 1.093 729 K HN 0.629 nan 8.250 nan 0.000 0.454 730 Y N -1.326 119.024 120.300 0.084 0.000 2.655 730 Y HA 0.690 4.362 4.550 -1.465 0.000 0.336 730 Y C -0.928 175.085 175.900 0.188 0.000 1.154 730 Y CA -1.491 56.647 58.100 0.062 0.000 1.055 730 Y CB 0.987 39.427 38.460 -0.034 0.000 1.295 730 Y HN 0.246 nan 8.280 nan 0.000 0.465 731 V N -2.606 117.467 119.914 0.265 0.000 3.040 731 V HA 0.512 3.753 4.120 -1.464 0.000 0.312 731 V C -1.529 174.733 176.094 0.280 0.000 1.115 731 V CA -1.012 61.476 62.300 0.314 0.000 0.998 731 V CB 2.483 34.437 31.823 0.218 0.000 1.042 731 V HN 1.018 nan 8.190 nan 0.000 0.433 732 W N 3.851 125.246 121.300 0.158 0.000 2.308 732 W HA 0.587 4.368 4.660 -1.465 0.000 0.311 732 W C 0.267 176.729 176.519 -0.095 0.000 1.088 732 W CA 0.406 57.644 57.345 -0.179 0.000 1.309 732 W CB 1.540 30.498 29.460 -0.837 0.000 1.229 732 W HN 1.057 nan 8.180 nan 0.000 0.427 733 T N 0.290 114.766 114.554 -0.129 0.000 2.884 733 T HA 0.196 3.667 4.350 -1.464 0.000 0.277 733 T C 1.446 176.140 174.700 -0.011 0.000 0.976 733 T CA 0.139 62.209 62.100 -0.049 0.000 0.956 733 T CB 1.444 70.254 68.868 -0.097 0.000 1.113 733 T HN 0.375 nan 8.240 nan 0.000 0.554 734 T N -1.023 113.528 114.554 -0.004 0.000 3.051 734 T HA 0.003 3.475 4.350 -1.464 0.000 0.269 734 T C 1.051 175.746 174.700 -0.008 0.000 1.127 734 T CA 0.508 62.622 62.100 0.025 0.000 1.107 734 T CB -0.411 68.463 68.868 0.010 0.000 0.898 734 T HN 0.599 nan 8.240 nan 0.000 0.517 735 N N 1.341 119.997 118.700 -0.074 0.000 2.238 735 N HA 0.372 4.234 4.740 -1.464 0.000 0.222 735 N C 0.881 176.267 175.510 -0.206 0.000 1.133 735 N CA 0.636 53.623 53.050 -0.104 0.000 0.854 735 N CB 0.962 39.393 38.487 -0.094 0.000 1.041 735 N HN 0.708 nan 8.380 nan 0.000 0.510 736 G N 1.802 110.405 108.800 -0.328 0.000 2.631 736 G HA2 -0.178 2.903 3.960 -1.464 0.000 0.504 736 G HA3 -0.178 2.903 3.960 -1.464 0.000 0.504 736 G C -3.042 171.259 174.900 -0.998 0.000 1.306 736 G CA -1.058 43.614 45.100 -0.715 0.000 0.897 736 G HN -0.001 nan 8.290 nan 0.000 0.520 737 P HA 0.294 nan 4.420 nan 0.000 0.267 737 P C -0.492 176.546 177.300 -0.436 0.000 1.205 737 P CA 0.717 63.299 63.100 -0.863 0.000 0.765 737 P CB 0.828 31.970 31.700 -0.932 0.000 0.828 738 E N 4.486 124.555 120.200 -0.218 0.000 2.293 738 E HA 0.376 3.847 4.350 -1.464 0.000 0.270 738 E C -2.463 174.143 176.600 0.011 0.000 0.879 738 E CA -2.660 53.675 56.400 -0.108 0.000 0.756 738 E CB 2.061 31.715 29.700 -0.076 0.000 1.208 738 E HN 0.374 nan 8.360 nan 0.000 0.428 739 P HA -0.044 nan 4.420 nan 0.000 0.268 739 P C 0.588 177.938 177.300 0.083 0.000 1.205 739 P CA -0.168 62.978 63.100 0.076 0.000 0.771 739 P CB 0.946 32.702 31.700 0.094 0.000 0.858 740 L N 3.199 124.470 121.223 0.081 0.000 2.042 740 L HA -0.179 3.282 4.340 -1.464 0.000 0.210 740 L C 1.669 178.534 176.870 -0.008 0.000 1.076 740 L CA 2.107 56.975 54.840 0.047 0.000 0.749 740 L CB -1.133 40.955 42.059 0.047 0.000 0.893 740 L HN 0.233 nan 8.230 nan 0.000 0.432 741 D N -1.153 119.205 120.400 -0.071 0.000 2.178 741 D HA -0.178 3.584 4.640 -1.464 0.000 0.201 741 D C 0.320 176.378 176.300 -0.402 0.000 0.980 741 D CA 1.408 55.239 54.000 -0.282 0.000 0.842 741 D CB -0.016 40.524 40.800 -0.434 0.000 0.948 741 D HN 0.443 nan 8.370 nan 0.000 0.472 742 Y N 0.447 120.778 120.300 0.051 0.000 2.516 742 Y HA 0.223 3.895 4.550 -1.465 0.000 0.341 742 Y C 0.214 176.117 175.900 0.005 0.000 0.912 742 Y CA -0.748 57.367 58.100 0.024 0.000 1.167 742 Y CB -0.028 38.447 38.460 0.025 0.000 1.195 742 Y HN -0.201 nan 8.280 nan 0.000 0.610 743 Q N 1.482 121.350 119.800 0.114 0.000 2.296 743 Q HA 0.232 3.693 4.340 -1.464 0.000 0.262 743 Q C 0.510 176.540 176.000 0.050 0.000 0.981 743 Q CA 0.141 55.982 55.803 0.063 0.000 0.905 743 Q CB 0.824 29.586 28.738 0.040 0.000 1.186 743 Q HN 0.621 nan 8.270 nan 0.000 0.399 744 R N 1.549 122.064 120.500 0.025 0.000 2.257 744 R HA 0.208 3.669 4.340 -1.464 0.000 0.195 744 R C 0.202 176.498 176.300 -0.006 0.000 0.921 744 R CA 0.065 56.172 56.100 0.010 0.000 1.069 744 R CB 0.804 31.104 30.300 -0.001 0.000 1.115 744 R HN 0.426 nan 8.270 nan 0.000 0.571 745 S N 1.900 117.588 115.700 -0.020 0.000 2.654 745 S HA 0.386 3.977 4.470 -1.464 0.000 0.283 745 S C -2.506 172.077 174.600 -0.028 0.000 1.180 745 S CA -1.337 56.846 58.200 -0.029 0.000 1.021 745 S CB 1.608 64.779 63.200 -0.048 0.000 1.018 745 S HN -0.061 nan 8.310 nan 0.000 0.532 746 P HA 0.240 nan 4.420 nan 0.000 0.275 746 P C -0.766 176.480 177.300 -0.091 0.000 1.228 746 P CA -0.490 62.577 63.100 -0.055 0.000 0.786 746 P CB 0.204 31.875 31.700 -0.047 0.000 0.927 747 L N 1.833 122.958 121.223 -0.163 0.000 2.514 747 L HA 0.054 3.515 4.340 -1.464 0.000 0.280 747 L C 1.075 177.779 176.870 -0.278 0.000 1.223 747 L CA 0.394 55.122 54.840 -0.186 0.000 0.864 747 L CB -0.204 41.667 42.059 -0.313 0.000 1.118 747 L HN 0.369 nan 8.230 nan 0.000 0.494 748 D N 1.676 122.084 120.400 0.014 0.000 2.441 748 D HA 0.072 3.834 4.640 -1.464 0.000 0.221 748 D C 0.557 176.988 176.300 0.218 0.000 1.156 748 D CA -0.208 53.840 54.000 0.079 0.000 0.896 748 D CB 0.492 41.423 40.800 0.218 0.000 1.028 748 D HN 0.278 nan 8.370 nan 0.000 0.509 749 Y N 1.588 122.055 120.300 0.279 0.000 2.274 749 Y HA -0.100 3.571 4.550 -1.465 0.000 0.290 749 Y C 2.231 178.256 175.900 0.207 0.000 1.145 749 Y CA 0.681 58.941 58.100 0.267 0.000 1.203 749 Y CB -0.176 38.363 38.460 0.130 0.000 0.984 749 Y HN 0.454 nan 8.280 nan 0.000 0.533 750 E N -0.206 120.163 120.200 0.280 0.000 2.085 750 E HA -0.261 3.210 4.350 -1.464 0.000 0.194 750 E C 2.248 178.902 176.600 0.090 0.000 0.994 750 E CA 1.269 57.764 56.400 0.158 0.000 0.801 750 E CB -0.437 29.330 29.700 0.112 0.000 0.743 750 E HN 0.616 nan 8.360 nan 0.000 0.453 751 H N -0.539 118.510 119.070 -0.034 0.000 2.321 751 H HA -0.177 3.501 4.556 -1.465 0.000 0.300 751 H C 1.750 176.919 175.328 -0.264 0.000 1.087 751 H CA 1.822 57.708 56.048 -0.271 0.000 1.319 751 H CB -0.339 29.106 29.762 -0.530 0.000 1.379 751 H HN 0.210 nan 8.280 nan 0.000 0.501 752 Y N 0.274 120.621 120.300 0.078 0.000 2.224 752 Y HA -0.170 3.501 4.550 -1.464 0.000 0.289 752 Y C 2.801 178.654 175.900 -0.078 0.000 1.146 752 Y CA 1.104 59.213 58.100 0.015 0.000 1.182 752 Y CB -0.438 38.107 38.460 0.142 0.000 0.983 752 Y HN 0.192 nan 8.280 nan 0.000 0.524 753 L N -0.659 120.633 121.223 0.115 0.000 1.994 753 L HA -0.183 3.279 4.340 -1.464 0.000 0.208 753 L C 2.170 179.035 176.870 -0.007 0.000 1.071 753 L CA 2.288 57.165 54.840 0.062 0.000 0.745 753 L CB -1.142 40.974 42.059 0.095 0.000 0.892 753 L HN 0.099 nan 8.230 nan 0.000 0.431 754 T N -0.235 114.277 114.554 -0.070 0.000 2.904 754 T HA -0.022 3.449 4.350 -1.464 0.000 0.267 754 T C 1.758 176.329 174.700 -0.216 0.000 1.059 754 T CA 1.028 63.057 62.100 -0.118 0.000 1.137 754 T CB -0.033 68.764 68.868 -0.118 0.000 0.879 754 T HN 0.272 nan 8.240 nan 0.000 0.467 755 R N 0.250 120.524 120.500 -0.376 0.000 2.308 755 R HA 0.304 3.765 4.340 -1.464 0.000 0.202 755 R C 1.763 177.922 176.300 -0.234 0.000 0.898 755 R CA 0.353 56.200 56.100 -0.422 0.000 1.046 755 R CB 0.112 29.889 30.300 -0.871 0.000 1.026 755 R HN 0.350 nan 8.270 nan 0.000 0.512 756 Q N -0.078 119.648 119.800 -0.124 0.000 2.606 756 Q HA 0.264 3.725 4.340 -1.464 0.000 0.215 756 Q C 2.288 178.371 176.000 0.139 0.000 0.908 756 Q CA 0.432 56.299 55.803 0.106 0.000 0.908 756 Q CB 0.097 28.906 28.738 0.117 0.000 1.120 756 Q HN 0.145 nan 8.270 nan 0.000 0.628 757 L N 1.036 122.252 121.223 -0.012 0.000 2.044 757 L HA -0.108 3.353 4.340 -1.464 0.000 0.205 757 L C 2.692 179.452 176.870 -0.183 0.000 1.075 757 L CA 1.211 55.978 54.840 -0.121 0.000 0.747 757 L CB -0.447 41.421 42.059 -0.318 0.000 0.903 757 L HN 0.315 nan 8.230 nan 0.000 0.435 758 Q N 0.370 119.947 119.800 -0.372 0.000 2.061 758 Q HA -0.202 3.260 4.340 -1.464 0.000 0.204 758 Q C -0.515 175.224 176.000 -0.436 0.000 0.984 758 Q CA 2.078 57.420 55.803 -0.769 0.000 0.846 758 Q CB -0.676 27.796 28.738 -0.443 0.000 0.902 758 Q HN 0.320 nan 8.270 nan 0.000 0.421 759 P HA -0.114 nan 4.420 nan 0.000 0.217 759 P C 1.347 178.604 177.300 -0.072 0.000 1.150 759 P CA 0.989 64.051 63.100 -0.064 0.000 0.832 759 P CB 0.009 31.768 31.700 0.100 0.000 0.787 760 V N 0.267 120.168 119.914 -0.022 0.000 2.358 760 V HA -0.234 3.008 4.120 -1.464 0.000 0.246 760 V C 2.489 178.581 176.094 -0.004 0.000 1.047 760 V CA 2.265 64.559 62.300 -0.010 0.000 1.035 760 V CB -1.684 30.209 31.823 0.117 0.000 0.658 760 V HN 0.098 nan 8.190 nan 0.000 0.452 761 A N -0.331 122.491 122.820 0.003 0.000 1.898 761 A HA -0.227 3.214 4.320 -1.464 0.000 0.216 761 A C 2.119 179.674 177.584 -0.048 0.000 1.181 761 A CA 1.718 53.759 52.037 0.007 0.000 0.620 761 A CB -0.494 18.564 19.000 0.097 0.000 0.819 761 A HN 0.617 nan 8.150 nan 0.000 0.442 762 E N -0.574 119.553 120.200 -0.121 0.000 2.333 762 E HA -0.107 3.365 4.350 -1.464 0.000 0.198 762 E C 1.898 178.452 176.600 -0.078 0.000 1.007 762 E CA 0.529 56.874 56.400 -0.092 0.000 0.845 762 E CB -0.286 29.348 29.700 -0.110 0.000 0.766 762 E HN 0.642 nan 8.360 nan 0.000 0.507 763 G N 0.797 109.572 108.800 -0.041 0.000 2.448 763 G HA2 -0.154 2.927 3.960 -1.464 0.000 0.218 763 G HA3 -0.154 2.927 3.960 -1.464 0.000 0.218 763 G C 1.505 176.444 174.900 0.065 0.000 1.135 763 G CA 0.296 45.407 45.100 0.017 0.000 0.784 763 G HN 0.263 nan 8.290 nan 0.000 0.543 764 I N -1.155 119.397 120.570 -0.030 0.000 4.530 764 I HA 0.280 3.572 4.170 -1.464 0.000 0.318 764 I C 2.107 178.179 176.117 -0.075 0.000 1.257 764 I CA -0.018 61.243 61.300 -0.066 0.000 1.301 764 I CB 0.261 37.957 38.000 -0.506 0.000 1.297 764 I HN -0.014 nan 8.210 nan 0.000 0.451 765 L N 2.019 123.162 121.223 -0.133 0.000 2.079 765 L HA -0.106 3.356 4.340 -1.464 0.000 0.210 765 L C -0.650 176.151 176.870 -0.115 0.000 1.081 765 L CA 1.431 56.199 54.840 -0.120 0.000 0.752 765 L CB -2.149 39.900 42.059 -0.016 0.000 0.896 765 L HN 0.228 nan 8.230 nan 0.000 0.433 766 P HA -0.166 nan 4.420 nan 0.000 0.218 766 P C 1.420 178.514 177.300 -0.343 0.000 1.148 766 P CA 1.411 64.323 63.100 -0.315 0.000 0.822 766 P CB -0.050 31.359 31.700 -0.486 0.000 0.784 767 F N -0.491 119.381 119.950 -0.130 0.000 2.451 767 F HA -0.024 3.624 4.527 -1.464 0.000 0.299 767 F C 1.833 177.560 175.800 -0.123 0.000 1.101 767 F CA 0.837 58.750 58.000 -0.146 0.000 1.436 767 F CB -0.882 38.000 39.000 -0.197 0.000 1.074 767 F HN -0.029 nan 8.300 nan 0.000 0.553 768 I N -2.553 118.035 120.570 0.031 0.000 3.816 768 I HA 0.306 3.598 4.170 -1.464 0.000 0.334 768 I C -0.142 175.992 176.117 0.028 0.000 1.551 768 I CA -0.113 61.201 61.300 0.023 0.000 1.153 768 I CB -0.616 37.386 38.000 0.003 0.000 1.197 768 I HN 0.042 nan 8.210 nan 0.000 0.439 769 E N 1.412 121.611 120.200 -0.003 0.000 2.440 769 E HA -0.240 3.231 4.350 -1.464 0.000 0.246 769 E C -0.243 176.369 176.600 0.020 0.000 1.165 769 E CA 0.850 57.247 56.400 -0.005 0.000 0.726 769 E CB -0.906 28.797 29.700 0.005 0.000 1.271 769 E HN 0.708 nan 8.360 nan 0.000 0.397 770 D N -0.049 120.370 120.400 0.032 0.000 2.340 770 D HA 0.479 4.240 4.640 -1.464 0.000 0.243 770 D C -0.879 175.455 176.300 0.057 0.000 0.988 770 D CA -0.703 53.344 54.000 0.079 0.000 0.959 770 D CB 1.378 42.293 40.800 0.190 0.000 1.226 770 D HN 0.062 nan 8.370 nan 0.000 0.509 771 N N 1.302 120.050 118.700 0.081 0.000 2.352 771 N HA 0.199 4.060 4.740 -1.464 0.000 0.291 771 N C -0.211 175.385 175.510 0.144 0.000 1.040 771 N CA -0.566 52.537 53.050 0.088 0.000 0.864 771 N CB 0.945 39.460 38.487 0.047 0.000 1.440 771 N HN 0.288 nan 8.380 nan 0.000 0.483 772 F N 3.741 123.711 119.950 0.034 0.000 2.186 772 F HA 0.096 3.745 4.527 -1.464 0.000 0.299 772 F C 1.926 177.747 175.800 0.035 0.000 1.090 772 F CA 1.666 59.700 58.000 0.056 0.000 1.307 772 F CB 0.113 39.151 39.000 0.064 0.000 1.019 772 F HN 0.657 nan 8.300 nan 0.000 0.489 773 A N -0.184 122.751 122.820 0.191 0.000 1.930 773 A HA -0.184 3.257 4.320 -1.464 0.000 0.217 773 A C 2.262 179.829 177.584 -0.028 0.000 1.175 773 A CA 2.187 54.271 52.037 0.079 0.000 0.627 773 A CB -1.589 17.469 19.000 0.097 0.000 0.815 773 A HN 0.513 nan 8.150 nan 0.000 0.443 774 T N -2.244 112.301 114.554 -0.014 0.000 2.788 774 T HA -0.118 3.353 4.350 -1.464 0.000 0.268 774 T C 1.729 176.382 174.700 -0.079 0.000 1.044 774 T CA 1.548 63.628 62.100 -0.033 0.000 1.139 774 T CB -0.399 68.462 68.868 -0.011 0.000 0.867 774 T HN 0.081 nan 8.240 nan 0.000 0.454 775 L N 0.154 121.303 121.223 -0.123 0.000 2.056 775 L HA 0.153 3.614 4.340 -1.464 0.000 0.207 775 L C 2.595 179.306 176.870 -0.266 0.000 1.078 775 L CA 1.546 56.275 54.840 -0.185 0.000 0.749 775 L CB -1.046 40.886 42.059 -0.212 0.000 0.901 775 L HN 0.238 nan 8.230 nan 0.000 0.433 776 M N -1.151 118.227 119.600 -0.371 0.000 2.086 776 M HA -0.153 3.449 4.480 -1.464 0.000 0.261 776 M C 2.201 178.409 176.300 -0.154 0.000 1.067 776 M CA 1.826 56.942 55.300 -0.307 0.000 1.116 776 M CB -1.590 30.854 32.600 -0.260 0.000 1.348 776 M HN 0.214 nan 8.290 nan 0.000 0.407 777 T N -0.038 114.451 114.554 -0.109 0.000 2.788 777 T HA -0.075 3.396 4.350 -1.464 0.000 0.268 777 T C 1.826 176.486 174.700 -0.066 0.000 1.044 777 T CA 1.450 63.510 62.100 -0.067 0.000 1.139 777 T CB -0.781 68.060 68.868 -0.045 0.000 0.867 777 T HN 0.598 nan 8.240 nan 0.000 0.454 778 G N 1.683 110.435 108.800 -0.080 0.000 2.442 778 G HA2 -0.268 2.814 3.960 -1.464 0.000 0.219 778 G HA3 -0.268 2.814 3.960 -1.464 0.000 0.219 778 G C 1.373 176.233 174.900 -0.067 0.000 1.141 778 G CA 1.189 46.248 45.100 -0.068 0.000 0.763 778 G HN 0.693 nan 8.290 nan 0.000 0.554 779 Q N -1.469 118.281 119.800 -0.084 0.000 2.217 779 Q HA 0.529 3.991 4.340 -1.464 0.000 0.217 779 Q C 0.474 176.434 176.000 -0.066 0.000 0.844 779 Q CA -0.389 55.370 55.803 -0.075 0.000 0.957 779 Q CB 0.236 28.921 28.738 -0.088 0.000 1.127 779 Q HN 0.308 nan 8.270 nan 0.000 0.503 780 L N 0.000 121.184 121.223 -0.065 0.000 2.949 780 L HA 0.000 3.461 4.340 -1.464 0.000 0.249 780 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 780 L CB 0.000 42.029 42.059 -0.049 0.000 0.961 780 L HN 0.000 nan 8.230 nan 0.000 0.502