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 3q16_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNVIAILNHM GVYFKEEPIR ELHRALERLN FQIVYPNDRD DLLKLIENNA DATA SEQUENCE RLCGVIFDWD KYNLELCEEI SKMNENLPLY AFANTYSTLD VSLNDLRLQI DATA SEQUENCE SFFEYALGAA EDIANKIKQT TDEYINTILP PLTKALFKYV REGKYTFCTP DATA SEQUENCE GHMGGTAFQK SPVGSLFYDF FGPNTMKSDI SISVSELGSL LDHSGPHKEA DATA SEQUENCE EQYIARVFNA DRSYMVTNGT STANKIVGMY SAPAGSTILI DRNCHKSLTH DATA SEQUENCE LMMMSDVTPI YFRPTRNAYG ILGGIPQSEF QHATIAKRVK ETPNATWPVH DATA SEQUENCE AVITNSTYDG LLYNTDFIKK TLDVKSIHFD SAWVPYTNFS PIYEGKCGMS DATA SEQUENCE GGRVEGKVIY ETQSTHXLLA AFSQASMIHV KGDVNEETFN EAYMMHTTTS DATA SEQUENCE PHYGIVASTE TAAAMMKGNA GKRLINGSIE RAIKFRKEIK RLRTESDGWF DATA SEQUENCE FDVWQPDHID TTECWPLRSD STWHGFKNID NEHMYLDPIK VTLLTPGMEK DATA SEQUENCE DGTMSDFGIP ASIVAKYLDE HGIVVEKTGP YNLLFLFSIG IDKTKALSLL DATA SEQUENCE RALTDFKRAF DLNLRVKNML PSLYREDPEF YENMRIQELA QNIHKLIVHH DATA SEQUENCE NLPDLMYRAF EVLPTMVMTP YAAFQKELHG MTEEVYLDEM VGRINANMIL DATA SEQUENCE PYPPGVPLVM PGEMITEESR PVLEFLQMLC EIGAHYPGFE TDIHGAYRQA DATA SEQUENCE DGRYTVKVLK E 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.044 0.000 1.140 1 M CA 0.000 55.343 55.300 0.073 0.000 0.988 1 M CB 0.000 32.673 32.600 0.122 0.000 1.302 2 N N 1.847 120.567 118.700 0.033 0.000 2.545 2 N HA 0.236 4.976 4.740 -0.000 0.000 0.283 2 N C -1.556 174.056 175.510 0.171 0.000 1.596 2 N CA -0.250 52.800 53.050 -0.001 0.000 0.862 2 N CB 0.615 38.926 38.487 -0.293 0.000 1.422 2 N HN 0.257 nan 8.380 nan 0.000 0.489 3 V N 1.863 121.884 119.914 0.180 0.000 2.357 3 V HA 0.506 4.626 4.120 -0.000 0.000 0.284 3 V C -0.377 175.790 176.094 0.122 0.000 1.018 3 V CA -0.552 61.826 62.300 0.130 0.000 0.841 3 V CB 1.455 33.321 31.823 0.072 0.000 0.991 3 V HN 0.176 nan 8.190 nan 0.000 0.437 4 I N 3.977 124.596 120.570 0.082 0.000 2.465 4 I HA 0.719 4.888 4.170 -0.000 0.000 0.291 4 I C 0.302 176.384 176.117 -0.059 0.000 1.014 4 I CA -0.664 60.640 61.300 0.007 0.000 1.093 4 I CB 1.792 39.742 38.000 -0.084 0.000 1.267 4 I HN 0.644 nan 8.210 nan 0.000 0.431 5 A N 7.644 130.434 122.820 -0.050 0.000 2.304 5 A HA 0.859 5.179 4.320 -0.000 0.000 0.323 5 A C -0.478 177.041 177.584 -0.108 0.000 1.195 5 A CA -0.461 51.516 52.037 -0.100 0.000 0.826 5 A CB 0.816 19.785 19.000 -0.051 0.000 1.184 5 A HN 0.642 nan 8.150 nan 0.000 0.496 6 I N 2.284 122.711 120.570 -0.239 0.000 2.474 6 I HA 0.405 4.574 4.170 -0.000 0.000 0.294 6 I C -0.855 175.226 176.117 -0.060 0.000 1.005 6 I CA -0.729 60.472 61.300 -0.166 0.000 1.113 6 I CB 1.857 39.694 38.000 -0.272 0.000 1.289 6 I HN 0.566 nan 8.210 nan 0.000 0.436 7 L N 6.642 127.875 121.223 0.017 0.000 2.334 7 L HA 0.567 4.907 4.340 -0.000 0.000 0.276 7 L C -0.330 176.564 176.870 0.039 0.000 1.014 7 L CA 0.005 54.847 54.840 0.002 0.000 0.815 7 L CB 1.184 43.186 42.059 -0.094 0.000 1.268 7 L HN 0.692 nan 8.230 nan 0.000 0.428 8 N N 2.101 120.821 118.700 0.032 0.000 4.213 8 N HA -0.196 4.544 4.740 -0.000 0.000 0.325 8 N C -1.272 174.234 175.510 -0.007 0.000 2.172 8 N CA 0.273 53.373 53.050 0.082 0.000 2.937 8 N CB -0.206 38.414 38.487 0.222 0.000 0.317 8 N HN 0.766 nan 8.380 nan 0.000 0.727 9 H N 2.699 121.797 119.070 0.048 0.000 2.742 9 H HA 0.159 4.715 4.556 -0.000 0.000 0.302 9 H C 1.180 176.515 175.328 0.010 0.000 1.069 9 H CA -0.223 55.828 56.048 0.005 0.000 1.446 9 H CB 0.769 30.525 29.762 -0.010 0.000 1.462 9 H HN 0.372 nan 8.280 nan 0.000 0.499 10 M N 2.005 121.646 119.600 0.068 0.000 2.287 10 M HA 0.128 4.608 4.480 -0.000 0.000 0.266 10 M C 2.035 178.347 176.300 0.020 0.000 1.079 10 M CA 1.172 56.474 55.300 0.004 0.000 1.146 10 M CB -0.714 31.802 32.600 -0.140 0.000 1.374 10 M HN 0.973 nan 8.290 nan 0.000 0.435 11 G N 0.484 109.308 108.800 0.039 0.000 2.268 11 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.240 11 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.240 11 G C 0.296 175.228 174.900 0.054 0.000 1.010 11 G CA 0.309 45.436 45.100 0.045 0.000 0.618 11 G HN 0.544 nan 8.290 nan 0.000 0.516 12 V N -2.128 117.799 119.914 0.022 0.000 2.532 12 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 12 V C 1.053 177.169 176.094 0.038 0.000 1.041 12 V CA -0.382 61.968 62.300 0.084 0.000 0.926 12 V CB 1.613 33.533 31.823 0.162 0.000 0.992 12 V HN 0.319 nan 8.190 nan 0.000 0.457 13 Y N 4.040 124.371 120.300 0.051 0.000 2.337 13 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 13 Y C 1.913 177.824 175.900 0.019 0.000 1.123 13 Y CA 1.983 60.098 58.100 0.025 0.000 1.201 13 Y CB 0.008 38.502 38.460 0.057 0.000 1.011 13 Y HN 0.783 nan 8.280 nan 0.000 0.545 14 F N -0.538 119.419 119.950 0.011 0.000 2.641 14 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 14 F C 1.426 177.109 175.800 -0.195 0.000 1.146 14 F CA 0.758 58.731 58.000 -0.046 0.000 1.464 14 F CB -0.452 38.556 39.000 0.012 0.000 1.101 14 F HN -0.151 nan 8.300 nan 0.000 0.585 15 K N 0.259 120.068 120.400 -0.984 0.000 2.329 15 K HA 0.083 4.403 4.320 -0.000 0.000 0.198 15 K C 1.819 178.100 176.600 -0.531 0.000 1.085 15 K CA 0.609 56.195 56.287 -1.167 0.000 0.961 15 K CB 0.077 31.671 32.500 -1.511 0.000 0.971 15 K HN 0.261 nan 8.250 nan 0.000 0.502 16 E N 1.151 121.090 120.200 -0.434 0.000 2.072 16 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 16 E C 1.776 178.175 176.600 -0.337 0.000 0.982 16 E CA 1.035 57.246 56.400 -0.315 0.000 0.803 16 E CB 0.180 29.740 29.700 -0.232 0.000 0.755 16 E HN 0.135 nan 8.360 nan 0.000 0.453 17 E N 0.553 120.438 120.200 -0.524 0.000 2.072 17 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 17 E C -0.954 175.514 176.600 -0.220 0.000 0.985 17 E CA 1.190 57.310 56.400 -0.467 0.000 0.801 17 E CB -0.736 28.485 29.700 -0.799 0.000 0.750 17 E HN 0.122 nan 8.360 nan 0.000 0.452 18 P HA -0.101 nan 4.420 nan 0.000 0.220 18 P C 1.037 178.265 177.300 -0.120 0.000 1.148 18 P CA 0.877 63.937 63.100 -0.068 0.000 0.803 18 P CB 0.068 31.796 31.700 0.046 0.000 0.782 19 I N -0.572 119.898 120.570 -0.167 0.000 2.286 19 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 19 I C 2.278 178.350 176.117 -0.075 0.000 1.104 19 I CA 1.435 62.625 61.300 -0.182 0.000 1.397 19 I CB -1.061 36.830 38.000 -0.181 0.000 1.072 19 I HN 0.003 nan 8.210 nan 0.000 0.417 20 R N 0.590 121.043 120.500 -0.079 0.000 2.105 20 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 20 R C 2.078 178.403 176.300 0.041 0.000 1.135 20 R CA 1.306 57.395 56.100 -0.018 0.000 0.967 20 R CB -0.172 30.088 30.300 -0.066 0.000 0.861 20 R HN 0.494 nan 8.270 nan 0.000 0.442 21 E N 0.357 120.550 120.200 -0.011 0.000 2.107 21 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 21 E C 1.894 178.482 176.600 -0.019 0.000 0.982 21 E CA 0.652 57.049 56.400 -0.005 0.000 0.809 21 E CB -0.010 29.679 29.700 -0.017 0.000 0.756 21 E HN 0.108 nan 8.360 nan 0.000 0.459 22 L N 1.020 122.216 121.223 -0.044 0.000 2.109 22 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 22 L C 2.391 179.227 176.870 -0.057 0.000 1.086 22 L CA 1.685 56.474 54.840 -0.085 0.000 0.760 22 L CB -0.491 41.487 42.059 -0.136 0.000 0.910 22 L HN 0.225 nan 8.230 nan 0.000 0.437 23 H N 0.024 119.048 119.070 -0.078 0.000 2.319 23 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 23 H C 2.154 177.473 175.328 -0.016 0.000 1.092 23 H CA 2.045 58.073 56.048 -0.033 0.000 1.302 23 H CB 0.202 29.995 29.762 0.051 0.000 1.373 23 H HN 0.337 nan 8.280 nan 0.000 0.497 24 R N -0.034 120.411 120.500 -0.092 0.000 2.115 24 R HA 0.013 4.352 4.340 -0.000 0.000 0.226 24 R C 2.597 178.835 176.300 -0.104 0.000 1.100 24 R CA 0.785 56.811 56.100 -0.125 0.000 0.980 24 R CB -0.080 30.219 30.300 -0.003 0.000 0.875 24 R HN 0.315 nan 8.270 nan 0.000 0.445 25 A N 0.997 123.767 122.820 -0.083 0.000 1.929 25 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 25 A C 2.085 179.621 177.584 -0.079 0.000 1.176 25 A CA 0.924 52.917 52.037 -0.074 0.000 0.628 25 A CB -0.292 18.659 19.000 -0.082 0.000 0.816 25 A HN 0.154 nan 8.150 nan 0.000 0.444 26 L N -0.827 120.323 121.223 -0.121 0.000 2.109 26 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 26 L C 2.447 179.349 176.870 0.053 0.000 1.086 26 L CA 1.168 55.945 54.840 -0.104 0.000 0.760 26 L CB -0.395 41.520 42.059 -0.240 0.000 0.910 26 L HN 0.432 nan 8.230 nan 0.000 0.437 27 E N -0.118 120.044 120.200 -0.064 0.000 2.268 27 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 27 E C 2.168 178.762 176.600 -0.010 0.000 0.995 27 E CA 0.610 56.980 56.400 -0.049 0.000 0.836 27 E CB 0.074 29.669 29.700 -0.175 0.000 0.763 27 E HN 0.404 nan 8.360 nan 0.000 0.491 28 R N 0.030 120.525 120.500 -0.009 0.000 2.236 28 R HA 0.038 4.377 4.340 -0.000 0.000 0.208 28 R C 1.469 177.787 176.300 0.031 0.000 1.036 28 R CA 0.448 56.549 56.100 0.001 0.000 1.001 28 R CB 0.139 30.434 30.300 -0.009 0.000 0.896 28 R HN 0.124 nan 8.270 nan 0.000 0.464 29 L N 1.268 122.551 121.223 0.099 0.000 2.728 29 L HA 0.140 4.480 4.340 -0.000 0.000 0.235 29 L C -0.495 176.400 176.870 0.042 0.000 1.197 29 L CA -0.211 54.719 54.840 0.150 0.000 0.992 29 L CB 0.027 42.272 42.059 0.310 0.000 1.263 29 L HN 0.195 nan 8.230 nan 0.000 0.484 30 N N 0.210 118.899 118.700 -0.020 0.000 2.726 30 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 30 N C -0.981 174.327 175.510 -0.336 0.000 1.059 30 N CA 0.993 53.949 53.050 -0.157 0.000 0.701 30 N CB -1.463 36.903 38.487 -0.200 0.000 0.899 30 N HN 0.152 nan 8.380 nan 0.000 0.548 31 F N 0.397 120.314 119.950 -0.054 0.000 2.507 31 F HA 0.325 4.852 4.527 -0.000 0.000 0.325 31 F C 1.015 176.781 175.800 -0.057 0.000 1.116 31 F CA -0.651 57.319 58.000 -0.051 0.000 0.930 31 F CB 1.546 40.506 39.000 -0.066 0.000 1.146 31 F HN -0.124 nan 8.300 nan 0.000 0.447 32 Q N 3.605 123.484 119.800 0.132 0.000 2.286 32 Q HA 0.371 4.711 4.340 -0.000 0.000 0.257 32 Q C -0.843 175.199 176.000 0.070 0.000 0.941 32 Q CA -0.364 55.485 55.803 0.077 0.000 0.912 32 Q CB 1.265 30.033 28.738 0.049 0.000 1.192 32 Q HN 0.377 nan 8.270 nan 0.000 0.410 33 I N 4.532 125.128 120.570 0.044 0.000 2.339 33 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 33 I C 0.090 176.164 176.117 -0.072 0.000 0.994 33 I CA -0.607 60.675 61.300 -0.031 0.000 1.191 33 I CB 1.006 39.034 38.000 0.047 0.000 1.343 33 I HN 0.282 nan 8.210 nan 0.000 0.458 34 V N 4.517 124.331 119.914 -0.166 0.000 2.581 34 V HA 0.533 4.652 4.120 -0.000 0.000 0.303 34 V C -1.184 174.753 176.094 -0.261 0.000 1.041 34 V CA -0.737 61.497 62.300 -0.110 0.000 0.907 34 V CB 1.632 33.437 31.823 -0.031 0.000 0.994 34 V HN 0.497 nan 8.190 nan 0.000 0.442 35 Y N 5.106 125.403 120.300 -0.005 0.000 2.842 35 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 35 Y C -1.946 173.938 175.900 -0.026 0.000 1.019 35 Y CA -2.193 55.887 58.100 -0.034 0.000 1.258 35 Y CB 1.087 39.509 38.460 -0.063 0.000 1.106 35 Y HN 0.605 nan 8.280 nan 0.000 0.545 36 P HA 0.153 nan 4.420 nan 0.000 0.272 36 P C -0.399 176.931 177.300 0.049 0.000 1.230 36 P CA 0.045 63.168 63.100 0.037 0.000 0.788 36 P CB 1.640 33.332 31.700 -0.014 0.000 0.949 37 N N 0.024 118.748 118.700 0.041 0.000 2.333 37 N HA -0.035 4.705 4.740 -0.000 0.000 0.183 37 N C 0.265 175.801 175.510 0.044 0.000 1.030 37 N CA 0.745 53.829 53.050 0.055 0.000 0.867 37 N CB -0.004 38.517 38.487 0.055 0.000 1.027 37 N HN 0.637 nan 8.380 nan 0.000 0.435 38 D N -1.603 118.809 120.400 0.020 0.000 2.689 38 D HA 0.275 4.915 4.640 -0.000 0.000 0.255 38 D C 0.676 176.955 176.300 -0.035 0.000 1.113 38 D CA -0.806 53.208 54.000 0.023 0.000 1.115 38 D CB 1.039 41.866 40.800 0.045 0.000 1.334 38 D HN -0.314 nan 8.370 nan 0.000 0.621 39 R N -0.235 120.264 120.500 -0.001 0.000 2.070 39 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 39 R C 0.746 177.018 176.300 -0.047 0.000 1.137 39 R CA 1.822 57.898 56.100 -0.040 0.000 0.945 39 R CB -0.736 29.605 30.300 0.069 0.000 0.845 39 R HN 0.555 nan 8.270 nan 0.000 0.430 40 D N 0.130 120.521 120.400 -0.015 0.000 2.224 40 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 40 D C 1.422 177.711 176.300 -0.019 0.000 0.965 40 D CA 0.991 54.981 54.000 -0.016 0.000 0.852 40 D CB -0.256 40.543 40.800 -0.002 0.000 0.947 40 D HN 0.252 nan 8.370 nan 0.000 0.494 41 D N -0.187 120.204 120.400 -0.016 0.000 2.144 41 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 41 D C 1.832 178.118 176.300 -0.024 0.000 0.984 41 D CA 0.440 54.433 54.000 -0.011 0.000 0.834 41 D CB -0.038 40.761 40.800 -0.001 0.000 0.955 41 D HN 0.115 nan 8.370 nan 0.000 0.465 42 L N 0.074 121.268 121.223 -0.050 0.000 2.109 42 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 42 L C 2.073 178.910 176.870 -0.054 0.000 1.086 42 L CA 1.311 56.113 54.840 -0.064 0.000 0.760 42 L CB -0.473 41.517 42.059 -0.116 0.000 0.910 42 L HN 0.105 nan 8.230 nan 0.000 0.437 43 L N -0.741 120.451 121.223 -0.053 0.000 2.093 43 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 43 L C 2.478 179.334 176.870 -0.024 0.000 1.085 43 L CA 0.830 55.645 54.840 -0.041 0.000 0.755 43 L CB -0.702 41.334 42.059 -0.039 0.000 0.904 43 L HN 0.153 nan 8.230 nan 0.000 0.435 44 K N 0.295 120.685 120.400 -0.017 0.000 2.211 44 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 44 K C 2.098 178.696 176.600 -0.003 0.000 1.050 44 K CA 1.011 57.294 56.287 -0.007 0.000 0.945 44 K CB -0.284 32.214 32.500 -0.002 0.000 0.732 44 K HN 0.311 nan 8.250 nan 0.000 0.451 45 L N 0.512 121.731 121.223 -0.007 0.000 2.046 45 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 45 L C 2.227 179.097 176.870 -0.000 0.000 1.077 45 L CA 1.073 55.912 54.840 -0.002 0.000 0.747 45 L CB -0.342 41.713 42.059 -0.007 0.000 0.896 45 L HN 0.062 nan 8.230 nan 0.000 0.432 46 I N -0.949 119.617 120.570 -0.007 0.000 2.439 46 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 46 I C 2.468 178.587 176.117 0.004 0.000 1.139 46 I CA 0.977 62.276 61.300 -0.002 0.000 1.438 46 I CB -0.313 37.679 38.000 -0.014 0.000 1.085 46 I HN 0.275 nan 8.210 nan 0.000 0.427 47 E N 1.254 121.454 120.200 0.001 0.000 2.106 47 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 47 E C 1.819 178.425 176.600 0.010 0.000 0.984 47 E CA 1.108 57.510 56.400 0.005 0.000 0.806 47 E CB 0.186 29.888 29.700 0.002 0.000 0.750 47 E HN 0.476 nan 8.360 nan 0.000 0.458 48 N N 0.463 119.169 118.700 0.010 0.000 2.305 48 N HA -0.019 4.721 4.740 -0.000 0.000 0.179 48 N C -0.012 175.507 175.510 0.015 0.000 1.019 48 N CA 0.418 53.476 53.050 0.012 0.000 0.869 48 N CB 0.015 38.509 38.487 0.012 0.000 1.000 48 N HN 0.072 nan 8.380 nan 0.000 0.431 49 N N 0.992 119.701 118.700 0.016 0.000 2.426 49 N HA 0.249 4.988 4.740 -0.000 0.000 0.257 49 N C 0.319 175.847 175.510 0.030 0.000 1.002 49 N CA -0.063 53.000 53.050 0.021 0.000 0.942 49 N CB 1.933 40.432 38.487 0.021 0.000 1.112 49 N HN 0.094 nan 8.380 nan 0.000 0.499 50 A N 2.749 125.589 122.820 0.034 0.000 2.072 50 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 50 A C 1.790 179.416 177.584 0.070 0.000 1.156 50 A CA 0.693 52.759 52.037 0.049 0.000 0.701 50 A CB 0.033 19.058 19.000 0.042 0.000 0.816 50 A HN 0.538 nan 8.150 nan 0.000 0.458 51 R N -0.882 119.655 120.500 0.061 0.000 2.323 51 R HA 0.221 4.561 4.340 -0.000 0.000 0.198 51 R C 0.016 176.370 176.300 0.089 0.000 0.988 51 R CA -0.218 55.928 56.100 0.077 0.000 1.041 51 R CB -0.333 29.998 30.300 0.053 0.000 0.926 51 R HN 0.463 nan 8.270 nan 0.000 0.476 52 L N 0.804 122.070 121.223 0.071 0.000 2.410 52 L HA 0.027 4.367 4.340 -0.000 0.000 0.273 52 L C 0.415 177.317 176.870 0.052 0.000 1.144 52 L CA -0.090 54.784 54.840 0.056 0.000 0.863 52 L CB 0.747 42.823 42.059 0.028 0.000 1.140 52 L HN 0.341 nan 8.230 nan 0.000 0.463 53 C N 1.556 120.882 119.300 0.043 0.000 3.395 53 C HA 0.750 5.210 4.460 -0.000 0.000 0.264 53 C C 0.216 175.174 174.990 -0.052 0.000 2.141 53 C CA -0.126 58.864 59.018 -0.046 0.000 1.689 53 C CB -0.932 26.878 27.740 0.116 0.000 3.416 53 C HN 0.919 nan 8.230 nan 0.000 0.432 54 G N 0.284 109.085 108.800 0.002 0.000 2.682 54 G HA2 0.542 4.502 3.960 -0.000 0.000 0.300 54 G HA3 0.542 4.502 3.960 -0.000 0.000 0.300 54 G C -1.690 173.270 174.900 0.099 0.000 1.396 54 G CA -0.211 44.952 45.100 0.104 0.000 1.104 54 G HN 0.467 nan 8.290 nan 0.000 0.587 55 V N 3.521 123.516 119.914 0.135 0.000 2.407 55 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 55 V C -0.069 176.229 176.094 0.339 0.000 1.018 55 V CA -0.580 61.829 62.300 0.182 0.000 0.842 55 V CB 1.408 33.313 31.823 0.138 0.000 0.996 55 V HN 0.672 nan 8.190 nan 0.000 0.426 56 I N 6.908 127.643 120.570 0.276 0.000 2.339 56 I HA 0.632 4.801 4.170 -0.000 0.000 0.290 56 I C -0.555 175.749 176.117 0.311 0.000 0.994 56 I CA -0.306 61.155 61.300 0.268 0.000 1.191 56 I CB 0.949 39.041 38.000 0.152 0.000 1.343 56 I HN 0.689 nan 8.210 nan 0.000 0.458 57 F N 3.514 123.598 119.950 0.224 0.000 2.668 57 F HA 0.455 4.982 4.527 -0.000 0.000 0.309 57 F C -0.784 175.236 175.800 0.367 0.000 1.117 57 F CA -1.308 56.816 58.000 0.207 0.000 0.951 57 F CB 0.910 39.980 39.000 0.117 0.000 1.323 57 F HN 0.280 nan 8.300 nan 0.000 0.451 58 D N 2.916 123.636 120.400 0.533 0.000 2.343 58 D HA -0.069 4.570 4.640 -0.000 0.000 0.255 58 D C 0.477 177.146 176.300 0.615 0.000 1.187 58 D CA -0.141 54.172 54.000 0.522 0.000 0.875 58 D CB 0.840 41.920 40.800 0.466 0.000 1.136 58 D HN 0.846 nan 8.370 nan 0.000 0.469 59 W N 4.681 126.174 121.300 0.322 0.000 2.358 59 W HA -0.160 4.499 4.660 -0.000 0.000 0.303 59 W C 0.622 177.338 176.519 0.327 0.000 1.208 59 W CA 0.703 58.265 57.345 0.362 0.000 1.274 59 W CB 0.272 29.913 29.460 0.300 0.000 1.138 59 W HN 0.473 nan 8.180 nan 0.000 0.515 60 D N 0.116 120.682 120.400 0.278 0.000 2.371 60 D HA -0.093 4.547 4.640 -0.000 0.000 0.221 60 D C 1.690 177.988 176.300 -0.003 0.000 0.986 60 D CA 1.066 55.125 54.000 0.098 0.000 0.899 60 D CB 0.028 40.955 40.800 0.210 0.000 0.902 60 D HN 0.292 nan 8.370 nan 0.000 0.530 61 K N -0.808 119.607 120.400 0.025 0.000 2.399 61 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 61 K C -0.141 176.169 176.600 -0.485 0.000 1.117 61 K CA 0.112 56.281 56.287 -0.196 0.000 0.965 61 K CB 0.811 33.244 32.500 -0.112 0.000 0.983 61 K HN -0.017 nan 8.250 nan 0.000 0.531 62 Y N 0.653 120.981 120.300 0.046 0.000 2.558 62 Y HA 0.149 4.699 4.550 -0.000 0.000 0.316 62 Y C 0.196 175.993 175.900 -0.172 0.000 0.967 62 Y CA -0.729 57.340 58.100 -0.051 0.000 1.126 62 Y CB 0.262 38.698 38.460 -0.039 0.000 1.155 62 Y HN 0.164 nan 8.280 nan 0.000 0.628 63 N N -1.210 117.329 118.700 -0.268 0.000 2.368 63 N HA 0.062 4.802 4.740 -0.000 0.000 0.178 63 N C 0.910 176.226 175.510 -0.323 0.000 1.076 63 N CA 0.364 53.061 53.050 -0.589 0.000 0.889 63 N CB 0.194 37.738 38.487 -1.572 0.000 1.040 63 N HN 0.334 nan 8.380 nan 0.000 0.463 64 L N 0.452 121.547 121.223 -0.214 0.000 2.200 64 L HA 0.144 4.484 4.340 -0.000 0.000 0.200 64 L C 2.494 179.318 176.870 -0.078 0.000 1.072 64 L CA 0.483 55.250 54.840 -0.122 0.000 0.787 64 L CB -0.341 41.654 42.059 -0.106 0.000 0.957 64 L HN 0.224 nan 8.230 nan 0.000 0.459 65 E N 0.849 121.010 120.200 -0.065 0.000 2.046 65 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 65 E C 2.219 178.788 176.600 -0.051 0.000 0.982 65 E CA 1.110 57.491 56.400 -0.033 0.000 0.800 65 E CB -0.460 29.248 29.700 0.012 0.000 0.756 65 E HN 0.432 nan 8.360 nan 0.000 0.449 66 L N 0.715 121.883 121.223 -0.092 0.000 2.044 66 L HA -0.068 4.271 4.340 -0.000 0.000 0.205 66 L C 2.759 179.540 176.870 -0.149 0.000 1.075 66 L CA 0.911 55.647 54.840 -0.175 0.000 0.747 66 L CB -0.360 41.471 42.059 -0.380 0.000 0.903 66 L HN 0.195 nan 8.230 nan 0.000 0.435 67 C N -0.380 118.847 119.300 -0.121 0.000 2.422 67 C HA -0.141 4.319 4.460 -0.000 0.000 0.286 67 C C 2.563 177.548 174.990 -0.009 0.000 1.412 67 C CA 0.721 59.721 59.018 -0.030 0.000 1.786 67 C CB -0.933 26.848 27.740 0.068 0.000 1.835 67 C HN 0.510 nan 8.230 nan 0.000 0.533 68 E N 0.207 120.392 120.200 -0.024 0.000 2.216 68 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 68 E C 1.914 178.502 176.600 -0.020 0.000 0.973 68 E CA 0.457 56.849 56.400 -0.013 0.000 0.851 68 E CB 0.173 29.866 29.700 -0.011 0.000 0.804 68 E HN 0.517 nan 8.360 nan 0.000 0.477 69 E N 0.384 120.563 120.200 -0.035 0.000 2.190 69 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 69 E C 2.085 178.662 176.600 -0.038 0.000 0.978 69 E CA 0.374 56.753 56.400 -0.035 0.000 0.839 69 E CB 0.181 29.857 29.700 -0.040 0.000 0.787 69 E HN 0.379 nan 8.360 nan 0.000 0.473 70 I N 1.696 122.235 120.570 -0.052 0.000 2.286 70 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 70 I C 2.451 178.550 176.117 -0.029 0.000 1.104 70 I CA 1.239 62.509 61.300 -0.050 0.000 1.397 70 I CB -0.289 37.666 38.000 -0.074 0.000 1.072 70 I HN 0.028 nan 8.210 nan 0.000 0.417 71 S N 0.755 116.443 115.700 -0.020 0.000 2.419 71 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 71 S C 1.874 176.472 174.600 -0.003 0.000 1.016 71 S CA 0.822 59.018 58.200 -0.006 0.000 0.974 71 S CB -0.398 62.803 63.200 0.002 0.000 0.786 71 S HN 0.411 nan 8.310 nan 0.000 0.492 72 K N 0.354 120.750 120.400 -0.007 0.000 2.211 72 K HA 0.160 4.480 4.320 -0.000 0.000 0.203 72 K C 2.084 178.682 176.600 -0.003 0.000 1.050 72 K CA 1.308 57.592 56.287 -0.005 0.000 0.945 72 K CB -0.203 32.293 32.500 -0.008 0.000 0.732 72 K HN 0.460 nan 8.250 nan 0.000 0.451 73 M N -0.480 119.117 119.600 -0.005 0.000 2.429 73 M HA 0.012 4.492 4.480 -0.000 0.000 0.265 73 M C 0.187 176.492 176.300 0.008 0.000 1.120 73 M CA 0.527 55.827 55.300 -0.001 0.000 1.173 73 M CB 0.408 33.005 32.600 -0.005 0.000 1.343 73 M HN -0.061 nan 8.290 nan 0.000 0.464 74 N N -0.037 118.668 118.700 0.008 0.000 2.478 74 N HA 0.156 4.896 4.740 -0.000 0.000 0.291 74 N C -0.586 174.937 175.510 0.021 0.000 1.090 74 N CA -0.051 53.015 53.050 0.027 0.000 0.911 74 N CB 1.434 39.947 38.487 0.043 0.000 1.546 74 N HN -0.071 nan 8.380 nan 0.000 0.500 75 E N 1.427 121.648 120.200 0.035 0.000 2.033 75 E HA -0.033 4.316 4.350 -0.000 0.000 0.189 75 E C 0.615 177.235 176.600 0.034 0.000 0.979 75 E CA 1.369 57.786 56.400 0.028 0.000 0.802 75 E CB 0.024 29.742 29.700 0.030 0.000 0.763 75 E HN 0.701 nan 8.360 nan 0.000 0.449 76 N N 0.662 119.415 118.700 0.088 0.000 2.461 76 N HA 0.016 4.756 4.740 -0.000 0.000 0.188 76 N C -0.166 175.391 175.510 0.079 0.000 1.134 76 N CA -0.060 53.072 53.050 0.136 0.000 0.878 76 N CB -0.048 38.571 38.487 0.219 0.000 0.972 76 N HN 0.045 nan 8.380 nan 0.000 0.456 77 L N 1.828 123.018 121.223 -0.054 0.000 2.534 77 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 77 L C -2.362 174.305 176.870 -0.339 0.000 1.178 77 L CA -1.746 52.897 54.840 -0.329 0.000 0.907 77 L CB 0.040 41.992 42.059 -0.177 0.000 1.164 77 L HN 0.040 nan 8.230 nan 0.000 0.482 78 P HA 0.185 nan 4.420 nan 0.000 0.271 78 P C -1.165 175.810 177.300 -0.541 0.000 1.220 78 P CA 0.147 62.958 63.100 -0.482 0.000 0.768 78 P CB 0.517 31.943 31.700 -0.458 0.000 0.848 79 L N 4.133 125.014 121.223 -0.570 0.000 2.346 79 L HA 0.480 4.819 4.340 -0.000 0.000 0.276 79 L C -0.543 175.925 176.870 -0.670 0.000 1.006 79 L CA -0.831 53.778 54.840 -0.386 0.000 0.817 79 L CB 1.340 43.392 42.059 -0.012 0.000 1.272 79 L HN 0.361 nan 8.230 nan 0.000 0.421 80 Y N 1.575 121.813 120.300 -0.104 0.000 2.447 80 Y HA 0.586 5.136 4.550 -0.000 0.000 0.325 80 Y C 0.253 175.897 175.900 -0.428 0.000 0.976 80 Y CA -0.770 57.213 58.100 -0.196 0.000 1.280 80 Y CB 1.596 40.065 38.460 0.014 0.000 1.104 80 Y HN 0.581 nan 8.280 nan 0.000 0.486 81 A N 3.892 126.367 122.820 -0.576 0.000 2.252 81 A HA 0.638 4.958 4.320 -0.000 0.000 0.309 81 A C -1.137 176.292 177.584 -0.259 0.000 1.285 81 A CA -0.454 51.188 52.037 -0.657 0.000 0.900 81 A CB -0.089 18.598 19.000 -0.523 0.000 1.157 81 A HN 0.610 nan 8.150 nan 0.000 0.536 82 F N 2.215 122.067 119.950 -0.162 0.000 2.421 82 F HA 0.514 5.041 4.527 -0.000 0.000 0.358 82 F C 0.844 176.686 175.800 0.071 0.000 1.115 82 F CA 0.414 58.305 58.000 -0.182 0.000 1.160 82 F CB 1.405 40.047 39.000 -0.597 0.000 1.123 82 F HN 0.681 nan 8.300 nan 0.000 0.508 83 A N 4.172 127.128 122.820 0.226 0.000 2.354 83 A HA 0.676 4.996 4.320 -0.000 0.000 0.321 83 A C -0.551 177.243 177.584 0.350 0.000 1.125 83 A CA -0.847 51.398 52.037 0.346 0.000 0.799 83 A CB 1.023 20.144 19.000 0.201 0.000 1.293 83 A HN 0.795 nan 8.150 nan 0.000 0.452 84 N N -0.811 118.120 118.700 0.385 0.000 2.593 84 N HA 0.393 5.132 4.740 -0.000 0.000 0.304 84 N C 0.924 176.595 175.510 0.269 0.000 1.296 84 N CA -0.081 53.187 53.050 0.363 0.000 0.950 84 N CB 0.385 39.097 38.487 0.374 0.000 1.127 84 N HN 0.569 nan 8.380 nan 0.000 0.587 85 T N -0.830 113.893 114.554 0.283 0.000 2.821 85 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 85 T C 0.351 175.198 174.700 0.246 0.000 1.046 85 T CA 1.375 63.626 62.100 0.251 0.000 1.139 85 T CB -0.317 68.737 68.868 0.311 0.000 0.871 85 T HN 0.372 nan 8.240 nan 0.000 0.454 86 Y N 2.250 122.609 120.300 0.098 0.000 2.812 86 Y HA 0.398 4.948 4.550 -0.000 0.000 0.354 86 Y C 0.147 176.122 175.900 0.124 0.000 1.276 86 Y CA -0.876 57.277 58.100 0.087 0.000 1.639 86 Y CB 0.132 38.637 38.460 0.075 0.000 1.741 86 Y HN 0.023 nan 8.280 nan 0.000 0.479 87 S N 0.614 116.435 115.700 0.201 0.000 2.473 87 S HA 0.513 4.983 4.470 -0.000 0.000 0.307 87 S C -0.210 174.506 174.600 0.194 0.000 1.094 87 S CA -0.699 57.666 58.200 0.276 0.000 1.070 87 S CB 1.989 65.387 63.200 0.330 0.000 1.019 87 S HN 0.394 nan 8.310 nan 0.000 0.480 88 T N 2.608 117.341 114.554 0.298 0.000 2.900 88 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 88 T C -1.103 173.809 174.700 0.353 0.000 1.044 88 T CA -0.615 61.612 62.100 0.212 0.000 0.995 88 T CB 0.552 69.491 68.868 0.118 0.000 1.072 88 T HN 0.459 nan 8.240 nan 0.000 0.473 89 L N 3.629 125.004 121.223 0.253 0.000 2.305 89 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 89 L C 0.285 177.277 176.870 0.204 0.000 1.085 89 L CA -0.589 54.445 54.840 0.322 0.000 0.813 89 L CB 1.075 43.254 42.059 0.200 0.000 1.157 89 L HN 0.690 nan 8.230 nan 0.000 0.436 90 D N 1.557 122.079 120.400 0.202 0.000 2.339 90 D HA 0.027 4.667 4.640 -0.000 0.000 0.245 90 D C 0.666 177.023 176.300 0.096 0.000 1.115 90 D CA -0.100 53.966 54.000 0.110 0.000 0.917 90 D CB 1.860 42.701 40.800 0.069 0.000 1.192 90 D HN 0.198 nan 8.370 nan 0.000 0.428 91 V N 2.196 122.147 119.914 0.063 0.000 2.667 91 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 91 V C 1.836 177.958 176.094 0.047 0.000 1.065 91 V CA 2.311 64.641 62.300 0.050 0.000 1.083 91 V CB -0.438 31.405 31.823 0.034 0.000 0.692 91 V HN 0.694 nan 8.190 nan 0.000 0.468 92 S N -0.599 115.128 115.700 0.045 0.000 2.522 92 S HA 0.040 4.510 4.470 -0.000 0.000 0.227 92 S C 1.614 176.245 174.600 0.051 0.000 0.986 92 S CA 0.928 59.151 58.200 0.037 0.000 0.929 92 S CB -0.361 62.853 63.200 0.024 0.000 0.769 92 S HN 0.576 nan 8.310 nan 0.000 0.529 93 L N 0.900 122.170 121.223 0.079 0.000 2.558 93 L HA 0.186 4.526 4.340 -0.000 0.000 0.225 93 L C 1.751 178.678 176.870 0.094 0.000 1.128 93 L CA 0.026 54.931 54.840 0.109 0.000 0.868 93 L CB -0.597 41.577 42.059 0.191 0.000 1.006 93 L HN 0.191 nan 8.230 nan 0.000 0.454 94 N N 0.832 119.575 118.700 0.072 0.000 2.084 94 N HA -0.146 4.593 4.740 -0.000 0.000 0.190 94 N C 0.815 176.351 175.510 0.042 0.000 1.030 94 N CA 1.370 54.453 53.050 0.055 0.000 0.849 94 N CB -0.223 38.289 38.487 0.042 0.000 1.012 94 N HN 0.405 nan 8.380 nan 0.000 0.423 95 D N 0.286 120.708 120.400 0.036 0.000 3.072 95 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 95 D C -0.466 175.850 176.300 0.027 0.000 1.304 95 D CA -0.020 53.996 54.000 0.027 0.000 0.861 95 D CB -0.339 40.473 40.800 0.019 0.000 1.062 95 D HN 0.178 nan 8.370 nan 0.000 0.481 96 L N 0.124 121.368 121.223 0.035 0.000 2.381 96 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 96 L C 0.400 177.288 176.870 0.031 0.000 0.988 96 L CA -0.888 53.971 54.840 0.032 0.000 0.824 96 L CB 2.602 44.686 42.059 0.042 0.000 1.263 96 L HN -0.249 nan 8.230 nan 0.000 0.410 97 R N 4.579 125.093 120.500 0.022 0.000 2.309 97 R HA 0.466 4.806 4.340 -0.000 0.000 0.331 97 R C -1.198 175.110 176.300 0.014 0.000 1.116 97 R CA -0.022 56.089 56.100 0.018 0.000 0.970 97 R CB 0.023 30.332 30.300 0.016 0.000 1.024 97 R HN 0.455 nan 8.270 nan 0.000 0.472 98 L N 2.584 123.813 121.223 0.011 0.000 2.436 98 L HA 0.240 4.580 4.340 -0.000 0.000 0.268 98 L C -0.405 176.442 176.870 -0.039 0.000 0.974 98 L CA -0.870 53.968 54.840 -0.004 0.000 0.826 98 L CB 2.370 44.447 42.059 0.029 0.000 1.291 98 L HN 0.324 nan 8.230 nan 0.000 0.406 99 Q N 3.719 123.474 119.800 -0.076 0.000 2.571 99 Q HA 0.503 4.842 4.340 -0.000 0.000 0.222 99 Q C -1.181 174.683 176.000 -0.226 0.000 1.167 99 Q CA 0.166 55.894 55.803 -0.124 0.000 0.966 99 Q CB 0.254 28.928 28.738 -0.107 0.000 1.274 99 Q HN 0.479 nan 8.270 nan 0.000 0.552 100 I N 1.517 121.931 120.570 -0.259 0.000 2.336 100 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 100 I C -0.272 175.481 176.117 -0.607 0.000 0.991 100 I CA -0.621 60.401 61.300 -0.463 0.000 1.227 100 I CB 1.907 39.597 38.000 -0.516 0.000 1.366 100 I HN 0.329 nan 8.210 nan 0.000 0.466 101 S N 5.805 121.096 115.700 -0.682 0.000 2.478 101 S HA 0.603 5.073 4.470 -0.000 0.000 0.312 101 S C -0.567 173.491 174.600 -0.903 0.000 1.094 101 S CA -0.537 57.276 58.200 -0.646 0.000 1.081 101 S CB 0.852 63.834 63.200 -0.362 0.000 1.007 101 S HN 0.245 nan 8.310 nan 0.000 0.475 102 F N 2.203 121.713 119.950 -0.733 0.000 2.377 102 F HA 0.695 5.222 4.527 -0.000 0.000 0.328 102 F C 0.080 175.218 175.800 -1.102 0.000 1.094 102 F CA -0.516 57.032 58.000 -0.753 0.000 1.093 102 F CB 0.781 39.438 39.000 -0.571 0.000 1.214 102 F HN 0.471 nan 8.300 nan 0.000 0.518 103 F N -0.549 119.144 119.950 -0.429 0.000 2.692 103 F HA 0.442 4.969 4.527 -0.000 0.000 0.320 103 F C -0.521 175.022 175.800 -0.428 0.000 1.123 103 F CA -1.059 56.608 58.000 -0.555 0.000 0.961 103 F CB 1.685 40.080 39.000 -1.008 0.000 1.383 103 F HN 0.302 nan 8.300 nan 0.000 0.483 104 E N -0.285 119.926 120.200 0.019 0.000 2.221 104 E HA 0.295 4.645 4.350 -0.000 0.000 0.268 104 E C -1.757 174.980 176.600 0.229 0.000 0.933 104 E CA -0.931 55.537 56.400 0.113 0.000 0.809 104 E CB 1.772 31.555 29.700 0.139 0.000 1.190 104 E HN 0.430 nan 8.360 nan 0.000 0.406 105 Y N 1.201 121.713 120.300 0.354 0.000 2.640 105 Y HA 0.325 4.875 4.550 -0.000 0.000 0.355 105 Y C 0.202 176.217 175.900 0.191 0.000 1.088 105 Y CA -0.310 57.935 58.100 0.241 0.000 1.443 105 Y CB 0.490 39.023 38.460 0.122 0.000 1.224 105 Y HN 0.352 nan 8.280 nan 0.000 0.516 106 A N 4.098 127.077 122.820 0.264 0.000 2.449 106 A HA 0.703 5.023 4.320 -0.000 0.000 0.302 106 A C -1.165 176.491 177.584 0.121 0.000 1.048 106 A CA -0.874 51.273 52.037 0.183 0.000 0.708 106 A CB 1.074 20.163 19.000 0.148 0.000 1.274 106 A HN 0.671 nan 8.150 nan 0.000 0.410 107 L N 1.972 123.257 121.223 0.105 0.000 2.331 107 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 107 L C 1.539 178.442 176.870 0.055 0.000 1.106 107 L CA 1.080 55.963 54.840 0.071 0.000 0.824 107 L CB 0.882 42.990 42.059 0.082 0.000 1.142 107 L HN 1.374 nan 8.230 nan 0.000 0.443 108 G N 2.367 111.188 108.800 0.035 0.000 2.396 108 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.242 108 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.242 108 G C 0.998 175.907 174.900 0.016 0.000 1.069 108 G CA 0.533 45.648 45.100 0.025 0.000 0.633 108 G HN 0.809 nan 8.290 nan 0.000 0.517 109 A N 0.731 123.566 122.820 0.025 0.000 2.209 109 A HA 0.612 4.932 4.320 -0.000 0.000 0.212 109 A C 2.591 180.163 177.584 -0.021 0.000 1.158 109 A CA 1.796 53.843 52.037 0.015 0.000 0.742 109 A CB -0.555 18.470 19.000 0.042 0.000 0.790 109 A HN 1.814 nan 8.150 nan 0.000 0.472 110 A N -0.118 122.685 122.820 -0.028 0.000 2.019 110 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 110 A C 1.906 179.430 177.584 -0.099 0.000 1.164 110 A CA 1.577 53.571 52.037 -0.072 0.000 0.644 110 A CB -0.340 18.625 19.000 -0.058 0.000 0.805 110 A HN 0.652 nan 8.150 nan 0.000 0.449 111 E N -0.503 119.659 120.200 -0.064 0.000 2.107 111 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 111 E C 1.508 178.067 176.600 -0.069 0.000 0.982 111 E CA 1.193 57.557 56.400 -0.060 0.000 0.809 111 E CB -0.077 29.604 29.700 -0.031 0.000 0.756 111 E HN 0.596 nan 8.360 nan 0.000 0.459 112 D N -0.188 120.175 120.400 -0.061 0.000 2.149 112 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 112 D C 1.814 178.052 176.300 -0.103 0.000 0.972 112 D CA 0.795 54.764 54.000 -0.052 0.000 0.835 112 D CB 0.074 40.863 40.800 -0.018 0.000 0.966 112 D HN 0.206 nan 8.370 nan 0.000 0.476 113 I N 0.363 120.816 120.570 -0.195 0.000 2.315 113 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 113 I C 2.449 178.324 176.117 -0.403 0.000 1.117 113 I CA 0.901 61.942 61.300 -0.432 0.000 1.404 113 I CB -0.320 37.289 38.000 -0.653 0.000 1.071 113 I HN 0.006 nan 8.210 nan 0.000 0.419 114 A N 1.220 123.871 122.820 -0.283 0.000 1.908 114 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 114 A C 2.033 179.505 177.584 -0.186 0.000 1.181 114 A CA 2.433 54.316 52.037 -0.256 0.000 0.627 114 A CB -1.050 17.849 19.000 -0.169 0.000 0.818 114 A HN 0.504 nan 8.150 nan 0.000 0.445 115 N N -0.792 117.842 118.700 -0.110 0.000 2.331 115 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 115 N C 1.660 177.151 175.510 -0.031 0.000 1.019 115 N CA 1.042 54.065 53.050 -0.045 0.000 0.881 115 N CB -0.061 38.415 38.487 -0.018 0.000 0.972 115 N HN 0.484 nan 8.380 nan 0.000 0.435 116 K N 0.361 120.727 120.400 -0.057 0.000 2.155 116 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 116 K C 1.597 178.208 176.600 0.019 0.000 1.052 116 K CA 0.688 56.991 56.287 0.026 0.000 0.948 116 K CB 0.101 32.678 32.500 0.128 0.000 0.728 116 K HN 0.220 nan 8.250 nan 0.000 0.448 117 I N 0.974 121.439 120.570 -0.176 0.000 2.286 117 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 117 I C 2.354 178.424 176.117 -0.078 0.000 1.104 117 I CA 0.900 62.033 61.300 -0.278 0.000 1.397 117 I CB -0.093 37.487 38.000 -0.699 0.000 1.072 117 I HN -0.007 nan 8.210 nan 0.000 0.417 118 K N 1.259 121.625 120.400 -0.056 0.000 2.063 118 K HA -0.264 4.055 4.320 -0.000 0.000 0.208 118 K C 2.154 178.837 176.600 0.140 0.000 1.048 118 K CA 1.740 58.102 56.287 0.126 0.000 0.928 118 K CB -0.303 32.286 32.500 0.148 0.000 0.713 118 K HN 0.274 nan 8.250 nan 0.000 0.442 119 Q N -0.751 119.107 119.800 0.096 0.000 2.079 119 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 119 Q C 1.513 177.587 176.000 0.124 0.000 0.974 119 Q CA 2.054 57.916 55.803 0.098 0.000 0.840 119 Q CB -0.032 28.752 28.738 0.076 0.000 0.898 119 Q HN 0.427 nan 8.270 nan 0.000 0.430 120 T N -0.014 114.631 114.554 0.151 0.000 2.821 120 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 120 T C 1.760 176.587 174.700 0.211 0.000 1.046 120 T CA 1.606 63.813 62.100 0.179 0.000 1.139 120 T CB -0.367 68.654 68.868 0.256 0.000 0.871 120 T HN 0.366 nan 8.240 nan 0.000 0.454 121 T N 2.078 116.774 114.554 0.238 0.000 2.777 121 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 121 T C 1.663 176.530 174.700 0.279 0.000 1.040 121 T CA 1.088 63.365 62.100 0.295 0.000 1.141 121 T CB -0.381 68.684 68.868 0.329 0.000 0.868 121 T HN 0.315 nan 8.240 nan 0.000 0.444 122 D N 1.112 121.633 120.400 0.201 0.000 2.178 122 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 122 D C 2.136 178.501 176.300 0.109 0.000 0.974 122 D CA 0.865 54.949 54.000 0.140 0.000 0.841 122 D CB -0.138 40.728 40.800 0.110 0.000 0.953 122 D HN 0.523 nan 8.370 nan 0.000 0.478 123 E N -0.566 119.708 120.200 0.124 0.000 2.152 123 E HA -0.144 4.205 4.350 -0.000 0.000 0.192 123 E C 1.848 178.515 176.600 0.111 0.000 0.983 123 E CA 0.250 56.707 56.400 0.095 0.000 0.818 123 E CB -0.086 29.668 29.700 0.090 0.000 0.758 123 E HN 0.408 nan 8.360 nan 0.000 0.467 124 Y N 1.158 121.482 120.300 0.041 0.000 2.242 124 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 124 Y C 1.917 177.834 175.900 0.027 0.000 1.137 124 Y CA 1.236 59.354 58.100 0.030 0.000 1.181 124 Y CB -0.009 38.476 38.460 0.042 0.000 0.989 124 Y HN -0.069 nan 8.280 nan 0.000 0.527 125 I N 0.870 121.365 120.570 -0.125 0.000 2.208 125 I HA -0.367 3.803 4.170 -0.000 0.000 0.245 125 I C 1.663 177.672 176.117 -0.181 0.000 1.097 125 I CA 1.511 62.694 61.300 -0.195 0.000 1.363 125 I CB -0.487 37.504 38.000 -0.015 0.000 1.051 125 I HN 0.333 nan 8.210 nan 0.000 0.413 126 N N 0.062 118.705 118.700 -0.096 0.000 2.459 126 N HA -0.078 4.661 4.740 -0.000 0.000 0.181 126 N C 1.716 177.161 175.510 -0.108 0.000 1.046 126 N CA 1.233 54.231 53.050 -0.086 0.000 0.904 126 N CB -0.278 38.189 38.487 -0.034 0.000 0.964 126 N HN 0.385 nan 8.380 nan 0.000 0.444 127 T N 1.745 116.227 114.554 -0.121 0.000 2.770 127 T HA 0.020 4.370 4.350 -0.000 0.000 0.258 127 T C 2.133 176.754 174.700 -0.132 0.000 1.039 127 T CA 0.782 62.826 62.100 -0.093 0.000 1.143 127 T CB -0.076 68.774 68.868 -0.031 0.000 0.866 127 T HN 0.352 nan 8.240 nan 0.000 0.428 128 I N -0.592 119.841 120.570 -0.228 0.000 2.500 128 I HA 0.220 4.389 4.170 -0.000 0.000 0.252 128 I C 0.616 176.623 176.117 -0.183 0.000 1.142 128 I CA 0.401 61.585 61.300 -0.193 0.000 1.451 128 I CB -0.598 37.242 38.000 -0.267 0.000 1.093 128 I HN 0.045 nan 8.210 nan 0.000 0.430 129 L N 4.142 125.232 121.223 -0.222 0.000 2.410 129 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 129 L C -1.934 174.758 176.870 -0.297 0.000 1.144 129 L CA -1.647 53.044 54.840 -0.247 0.000 0.863 129 L CB 0.138 42.042 42.059 -0.258 0.000 1.140 129 L HN 0.030 nan 8.230 nan 0.000 0.463 130 P HA 0.175 nan 4.420 nan 0.000 0.274 130 P C -2.320 174.755 177.300 -0.375 0.000 1.237 130 P CA -1.576 61.187 63.100 -0.561 0.000 0.793 130 P CB 0.376 31.703 31.700 -0.622 0.000 0.977 131 P HA -0.209 nan 4.420 nan 0.000 0.216 131 P C 1.809 179.010 177.300 -0.166 0.000 1.167 131 P CA 1.397 64.377 63.100 -0.200 0.000 0.933 131 P CB -0.225 31.384 31.700 -0.151 0.000 0.793 132 L N -1.585 119.540 121.223 -0.163 0.000 2.056 132 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 132 L C 2.050 178.838 176.870 -0.137 0.000 1.078 132 L CA 1.995 56.746 54.840 -0.148 0.000 0.749 132 L CB -1.077 40.880 42.059 -0.170 0.000 0.901 132 L HN 0.017 nan 8.230 nan 0.000 0.433 133 T N -0.760 113.674 114.554 -0.199 0.000 2.746 133 T HA -0.254 4.095 4.350 -0.000 0.000 0.267 133 T C 1.841 176.269 174.700 -0.452 0.000 1.039 133 T CA 1.729 63.625 62.100 -0.340 0.000 1.142 133 T CB -0.171 68.436 68.868 -0.436 0.000 0.866 133 T HN 0.284 nan 8.240 nan 0.000 0.444 134 K N 0.945 121.155 120.400 -0.316 0.000 2.148 134 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 134 K C 2.439 179.009 176.600 -0.050 0.000 1.050 134 K CA 0.990 57.159 56.287 -0.196 0.000 0.942 134 K CB -0.232 32.171 32.500 -0.162 0.000 0.724 134 K HN 0.300 nan 8.250 nan 0.000 0.446 135 A N 0.823 123.614 122.820 -0.048 0.000 1.929 135 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 135 A C 1.972 179.605 177.584 0.083 0.000 1.176 135 A CA 0.930 52.974 52.037 0.011 0.000 0.628 135 A CB -0.449 18.534 19.000 -0.028 0.000 0.816 135 A HN 0.342 nan 8.150 nan 0.000 0.444 136 L N -1.580 119.700 121.223 0.095 0.000 2.027 136 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 136 L C 2.103 179.194 176.870 0.369 0.000 1.074 136 L CA 1.827 56.788 54.840 0.201 0.000 0.745 136 L CB -0.607 41.582 42.059 0.217 0.000 0.898 136 L HN 0.315 nan 8.230 nan 0.000 0.433 137 F N 0.355 120.333 119.950 0.047 0.000 2.171 137 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 137 F C 2.563 178.385 175.800 0.037 0.000 1.090 137 F CA 1.359 59.380 58.000 0.036 0.000 1.293 137 F CB -0.887 38.122 39.000 0.015 0.000 1.013 137 F HN 0.156 nan 8.300 nan 0.000 0.486 138 K N -0.908 119.638 120.400 0.243 0.000 2.097 138 K HA -0.236 4.084 4.320 -0.000 0.000 0.205 138 K C 2.230 178.913 176.600 0.139 0.000 1.050 138 K CA 1.171 57.546 56.287 0.148 0.000 0.938 138 K CB -0.468 32.102 32.500 0.118 0.000 0.718 138 K HN 0.270 nan 8.250 nan 0.000 0.442 139 Y N 0.967 121.302 120.300 0.058 0.000 2.242 139 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 139 Y C 1.729 177.643 175.900 0.024 0.000 1.137 139 Y CA 1.192 59.317 58.100 0.042 0.000 1.181 139 Y CB -0.194 38.286 38.460 0.034 0.000 0.989 139 Y HN -0.184 nan 8.280 nan 0.000 0.527 140 V N 0.954 120.839 119.914 -0.047 0.000 2.407 140 V HA -0.288 3.831 4.120 -0.000 0.000 0.248 140 V C 2.402 178.397 176.094 -0.164 0.000 1.055 140 V CA 2.260 64.469 62.300 -0.151 0.000 1.049 140 V CB -0.572 31.203 31.823 -0.080 0.000 0.662 140 V HN 0.351 nan 8.190 nan 0.000 0.455 141 R N -0.516 119.925 120.500 -0.099 0.000 2.090 141 R HA -0.069 4.270 4.340 -0.000 0.000 0.228 141 R C 2.128 178.370 176.300 -0.096 0.000 1.110 141 R CA 1.488 57.539 56.100 -0.081 0.000 0.973 141 R CB -0.009 30.270 30.300 -0.035 0.000 0.869 141 R HN 0.607 nan 8.270 nan 0.000 0.440 142 E N -0.839 119.295 120.200 -0.110 0.000 2.357 142 E HA 0.109 4.458 4.350 -0.000 0.000 0.202 142 E C 0.584 177.083 176.600 -0.168 0.000 0.855 142 E CA -0.079 56.260 56.400 -0.103 0.000 1.048 142 E CB 0.283 29.957 29.700 -0.044 0.000 1.037 142 E HN 0.178 nan 8.360 nan 0.000 0.499 143 G N 1.856 110.508 108.800 -0.246 0.000 2.305 143 G HA2 0.043 4.003 3.960 -0.000 0.000 0.243 143 G HA3 0.043 4.003 3.960 -0.000 0.000 0.243 143 G C -0.406 174.256 174.900 -0.398 0.000 1.288 143 G CA 0.129 45.045 45.100 -0.306 0.000 0.901 143 G HN -0.037 nan 8.290 nan 0.000 0.516 144 K N 2.292 122.509 120.400 -0.305 0.000 2.579 144 K HA 0.189 4.509 4.320 -0.000 0.000 0.225 144 K C -1.550 174.914 176.600 -0.228 0.000 0.992 144 K CA -0.409 55.746 56.287 -0.220 0.000 1.018 144 K CB 1.362 33.762 32.500 -0.166 0.000 1.249 144 K HN 0.517 nan 8.250 nan 0.000 0.489 145 Y N 1.464 121.808 120.300 0.073 0.000 2.417 145 Y HA 0.133 4.682 4.550 -0.000 0.000 0.336 145 Y C 0.854 176.802 175.900 0.080 0.000 0.961 145 Y CA -0.655 57.514 58.100 0.115 0.000 1.215 145 Y CB 1.231 39.800 38.460 0.180 0.000 1.120 145 Y HN 0.411 nan 8.280 nan 0.000 0.499 146 T N -1.349 113.339 114.554 0.224 0.000 2.902 146 T HA 0.495 4.844 4.350 -0.000 0.000 0.280 146 T C -0.347 174.524 174.700 0.285 0.000 0.992 146 T CA -0.655 61.535 62.100 0.150 0.000 1.015 146 T CB 0.565 69.504 68.868 0.119 0.000 1.044 146 T HN 0.437 nan 8.240 nan 0.000 0.520 147 F N -1.346 118.629 119.950 0.043 0.000 2.695 147 F HA -0.124 4.403 4.527 -0.000 0.000 0.305 147 F C 0.527 176.340 175.800 0.022 0.000 1.044 147 F CA -0.107 57.908 58.000 0.026 0.000 1.049 147 F CB -1.718 37.297 39.000 0.025 0.000 1.267 147 F HN 0.920 nan 8.300 nan 0.000 0.828 148 C N 1.353 120.703 119.300 0.084 0.000 2.889 148 C HA 0.872 5.331 4.460 -0.000 0.000 0.307 148 C C 0.219 175.202 174.990 -0.012 0.000 1.251 148 C CA 0.305 59.348 59.018 0.043 0.000 1.593 148 C CB 1.660 29.424 27.740 0.041 0.000 2.104 148 C HN 0.705 nan 8.230 nan 0.000 0.476 149 T N 2.409 116.953 114.554 -0.016 0.000 2.829 149 T HA 0.645 4.994 4.350 -0.000 0.000 0.282 149 T C -2.843 171.833 174.700 -0.039 0.000 0.990 149 T CA -1.374 60.711 62.100 -0.026 0.000 1.028 149 T CB 1.199 70.067 68.868 -0.000 0.000 0.951 149 T HN 0.540 nan 8.240 nan 0.000 0.460 150 P HA 0.217 nan 4.420 nan 0.000 0.270 150 P C 1.312 178.532 177.300 -0.133 0.000 1.223 150 P CA -0.269 62.810 63.100 -0.035 0.000 0.785 150 P CB 0.169 31.930 31.700 0.102 0.000 0.923 151 G N 0.891 109.668 108.800 -0.038 0.000 2.498 151 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.219 151 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.219 151 G C 1.140 176.007 174.900 -0.056 0.000 1.119 151 G CA 1.065 46.136 45.100 -0.049 0.000 0.766 151 G HN 0.757 nan 8.290 nan 0.000 0.552 152 H N -1.867 117.222 119.070 0.032 0.000 2.389 152 H HA 0.223 4.779 4.556 -0.000 0.000 0.299 152 H C 1.434 176.815 175.328 0.088 0.000 1.081 152 H CA 0.716 56.811 56.048 0.079 0.000 1.345 152 H CB -0.374 29.548 29.762 0.266 0.000 1.393 152 H HN 0.196 nan 8.280 nan 0.000 0.520 153 M N 0.664 120.012 119.600 -0.421 0.000 2.632 153 M HA -0.187 4.292 4.480 -0.000 0.000 0.184 153 M C 0.886 177.216 176.300 0.051 0.000 0.976 153 M CA 0.925 56.115 55.300 -0.182 0.000 0.612 153 M CB -1.327 31.210 32.600 -0.105 0.000 1.181 153 M HN 0.990 nan 8.290 nan 0.000 0.840 154 G N -0.759 108.168 108.800 0.212 0.000 2.147 154 G HA2 0.084 4.044 3.960 -0.000 0.000 0.244 154 G HA3 0.084 4.044 3.960 -0.000 0.000 0.244 154 G C 0.770 175.938 174.900 0.446 0.000 1.005 154 G CA 0.556 45.848 45.100 0.319 0.000 0.713 154 G HN 2.204 nan 8.290 nan 0.000 0.515 155 G N -2.034 107.140 108.800 0.624 0.000 2.303 155 G HA2 0.013 3.973 3.960 -0.000 0.000 0.260 155 G HA3 0.013 3.973 3.960 -0.000 0.000 0.260 155 G C 0.802 175.790 174.900 0.146 0.000 1.106 155 G CA 1.112 46.532 45.100 0.534 0.000 0.900 155 G HN 1.441 nan 8.290 nan 0.000 0.495 156 T N -0.268 114.382 114.554 0.159 0.000 2.976 156 T HA 0.325 4.675 4.350 -0.000 0.000 0.257 156 T C 2.753 177.451 174.700 -0.003 0.000 1.051 156 T CA 1.605 63.708 62.100 0.005 0.000 1.141 156 T CB -0.036 68.820 68.868 -0.021 0.000 0.881 156 T HN 1.156 nan 8.240 nan 0.000 0.461 157 A N 0.959 123.794 122.820 0.026 0.000 1.969 157 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 157 A C 1.871 179.372 177.584 -0.138 0.000 1.169 157 A CA 1.070 53.049 52.037 -0.097 0.000 0.635 157 A CB -0.988 17.904 19.000 -0.180 0.000 0.810 157 A HN 0.460 nan 8.150 nan 0.000 0.445 158 F N -0.021 119.924 119.950 -0.009 0.000 2.234 158 F HA -0.136 4.390 4.527 -0.000 0.000 0.299 158 F C 2.555 178.333 175.800 -0.035 0.000 1.087 158 F CA 1.571 59.580 58.000 0.015 0.000 1.340 158 F CB -0.228 38.852 39.000 0.132 0.000 1.031 158 F HN 0.255 nan 8.300 nan 0.000 0.500 159 Q N -0.286 119.532 119.800 0.030 0.000 2.515 159 Q HA -0.117 4.223 4.340 -0.000 0.000 0.212 159 Q C 1.449 177.436 176.000 -0.021 0.000 0.970 159 Q CA 0.650 56.421 55.803 -0.054 0.000 0.941 159 Q CB 0.036 28.663 28.738 -0.186 0.000 0.998 159 Q HN 0.262 nan 8.270 nan 0.000 0.518 160 K N -0.607 119.782 120.400 -0.018 0.000 2.335 160 K HA 0.104 4.424 4.320 -0.000 0.000 0.195 160 K C 0.468 177.060 176.600 -0.013 0.000 1.058 160 K CA 0.076 56.348 56.287 -0.024 0.000 0.988 160 K CB 0.840 33.313 32.500 -0.044 0.000 0.880 160 K HN -0.140 nan 8.250 nan 0.000 0.513 161 S N 0.680 116.377 115.700 -0.005 0.000 2.480 161 S HA 0.251 4.721 4.470 -0.000 0.000 0.286 161 S C -2.087 172.543 174.600 0.050 0.000 1.180 161 S CA -2.026 56.177 58.200 0.005 0.000 1.075 161 S CB 0.930 64.113 63.200 -0.029 0.000 0.996 161 S HN -0.139 nan 8.310 nan 0.000 0.487 162 P HA -0.095 nan 4.420 nan 0.000 0.215 162 P C 1.409 178.762 177.300 0.090 0.000 1.153 162 P CA 0.602 63.738 63.100 0.060 0.000 0.853 162 P CB 0.089 31.813 31.700 0.040 0.000 0.788 163 V N -0.515 119.450 119.914 0.085 0.000 2.871 163 V HA 0.009 4.129 4.120 -0.000 0.000 0.256 163 V C 2.085 178.299 176.094 0.199 0.000 1.082 163 V CA 2.210 64.579 62.300 0.114 0.000 1.105 163 V CB -1.271 30.596 31.823 0.074 0.000 0.713 163 V HN 0.126 nan 8.190 nan 0.000 0.473 164 G N -0.160 108.764 108.800 0.206 0.000 2.403 164 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 164 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 164 G C 1.812 177.016 174.900 0.507 0.000 1.154 164 G CA 1.099 46.444 45.100 0.408 0.000 0.784 164 G HN 0.687 nan 8.290 nan 0.000 0.538 165 S N 0.667 116.552 115.700 0.308 0.000 2.399 165 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 165 S C 2.303 177.078 174.600 0.292 0.000 1.022 165 S CA 0.918 59.284 58.200 0.276 0.000 0.983 165 S CB -0.370 62.929 63.200 0.164 0.000 0.803 165 S HN 0.263 nan 8.310 nan 0.000 0.480 166 L N -0.551 120.827 121.223 0.258 0.000 2.141 166 L HA 0.069 4.409 4.340 -0.000 0.000 0.209 166 L C 2.424 179.454 176.870 0.267 0.000 1.094 166 L CA 1.347 56.319 54.840 0.221 0.000 0.763 166 L CB -0.476 41.684 42.059 0.169 0.000 0.908 166 L HN 0.291 nan 8.230 nan 0.000 0.437 167 F N -0.994 119.072 119.950 0.194 0.000 2.206 167 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 167 F C 2.408 178.304 175.800 0.159 0.000 1.090 167 F CA 1.215 59.322 58.000 0.178 0.000 1.323 167 F CB -0.151 38.947 39.000 0.163 0.000 1.028 167 F HN -0.018 nan 8.300 nan 0.000 0.492 168 Y N 0.714 121.097 120.300 0.139 0.000 2.220 168 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 168 Y C 2.126 178.051 175.900 0.042 0.000 1.129 168 Y CA 1.810 59.922 58.100 0.019 0.000 1.161 168 Y CB -0.390 38.117 38.460 0.079 0.000 0.997 168 Y HN -0.045 nan 8.280 nan 0.000 0.522 169 D N -0.362 120.137 120.400 0.163 0.000 2.264 169 D HA -0.164 4.475 4.640 -0.000 0.000 0.208 169 D C 1.713 177.993 176.300 -0.033 0.000 0.966 169 D CA 0.871 54.905 54.000 0.057 0.000 0.864 169 D CB -0.339 40.532 40.800 0.119 0.000 0.933 169 D HN 0.387 nan 8.370 nan 0.000 0.499 170 F N 0.137 119.973 119.950 -0.189 0.000 2.094 170 F HA -0.066 4.461 4.527 -0.000 0.000 0.291 170 F C 1.900 177.441 175.800 -0.433 0.000 1.109 170 F CA 1.148 58.944 58.000 -0.341 0.000 1.221 170 F CB -0.346 38.368 39.000 -0.476 0.000 1.014 170 F HN -0.211 nan 8.300 nan 0.000 0.473 171 F N 0.849 120.648 119.950 -0.251 0.000 2.325 171 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 171 F C 1.376 176.968 175.800 -0.347 0.000 1.090 171 F CA 0.990 58.801 58.000 -0.314 0.000 1.392 171 F CB -0.814 38.013 39.000 -0.289 0.000 1.053 171 F HN 0.205 nan 8.300 nan 0.000 0.521 172 G N -0.098 108.543 108.800 -0.265 0.000 2.699 172 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 172 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 172 G C -2.250 172.385 174.900 -0.441 0.000 1.301 172 G CA -0.707 44.193 45.100 -0.334 0.000 0.816 172 G HN -0.030 nan 8.290 nan 0.000 0.595 173 P HA -0.039 nan 4.420 nan 0.000 0.217 173 P C 1.587 178.803 177.300 -0.139 0.000 1.150 173 P CA 1.557 64.502 63.100 -0.260 0.000 0.832 173 P CB -0.046 31.608 31.700 -0.077 0.000 0.787 174 N N -1.343 117.270 118.700 -0.145 0.000 2.223 174 N HA -0.089 4.650 4.740 -0.000 0.000 0.185 174 N C 1.318 176.764 175.510 -0.107 0.000 1.016 174 N CA 1.269 54.237 53.050 -0.137 0.000 0.863 174 N CB -0.260 38.117 38.487 -0.182 0.000 0.983 174 N HN 0.159 nan 8.380 nan 0.000 0.429 175 T N 0.901 115.398 114.554 -0.094 0.000 2.857 175 T HA 0.005 4.355 4.350 -0.000 0.000 0.266 175 T C 1.888 176.547 174.700 -0.068 0.000 1.048 175 T CA 0.758 62.825 62.100 -0.055 0.000 1.139 175 T CB 0.057 68.930 68.868 0.009 0.000 0.874 175 T HN 0.162 nan 8.240 nan 0.000 0.455 176 M N 1.117 120.670 119.600 -0.079 0.000 2.236 176 M HA 0.128 4.607 4.480 -0.000 0.000 0.266 176 M C 2.024 178.421 176.300 0.161 0.000 1.070 176 M CA 1.281 56.584 55.300 0.004 0.000 1.137 176 M CB -0.853 31.776 32.600 0.049 0.000 1.378 176 M HN 0.186 nan 8.290 nan 0.000 0.426 177 K N 0.382 120.844 120.400 0.104 0.000 2.217 177 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 177 K C 2.024 178.691 176.600 0.112 0.000 1.051 177 K CA 1.532 57.883 56.287 0.107 0.000 0.952 177 K CB -0.130 32.384 32.500 0.022 0.000 0.736 177 K HN 0.377 nan 8.250 nan 0.000 0.453 178 S N 0.622 116.360 115.700 0.064 0.000 2.481 178 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 178 S C 0.602 175.214 174.600 0.021 0.000 0.996 178 S CA 0.527 58.760 58.200 0.056 0.000 0.942 178 S CB -0.170 63.041 63.200 0.018 0.000 0.768 178 S HN 0.144 nan 8.310 nan 0.000 0.520 179 D N 1.660 122.095 120.400 0.058 0.000 2.374 179 D HA 0.470 5.110 4.640 -0.000 0.000 0.240 179 D C 0.064 176.433 176.300 0.115 0.000 1.229 179 D CA -0.297 53.748 54.000 0.074 0.000 0.895 179 D CB 0.004 40.903 40.800 0.165 0.000 1.046 179 D HN 0.592 nan 8.370 nan 0.000 0.498 180 I N -0.356 120.221 120.570 0.013 0.000 3.567 180 I HA 0.674 4.844 4.170 -0.000 0.000 0.302 180 I C -0.024 176.118 176.117 0.040 0.000 1.158 180 I CA -1.005 60.256 61.300 -0.065 0.000 1.027 180 I CB 1.425 39.290 38.000 -0.224 0.000 1.363 180 I HN 0.273 nan 8.210 nan 0.000 0.480 181 S N 0.247 115.939 115.700 -0.012 0.000 2.998 181 S HA 0.512 4.982 4.470 -0.000 0.000 0.307 181 S C 0.654 175.308 174.600 0.090 0.000 1.063 181 S CA -0.314 57.976 58.200 0.149 0.000 0.895 181 S CB 0.799 64.034 63.200 0.059 0.000 1.362 181 S HN 0.864 nan 8.310 nan 0.000 0.657 182 I N -0.399 120.217 120.570 0.077 0.000 3.646 182 I HA 0.235 4.405 4.170 -0.000 0.000 0.301 182 I C 1.246 177.314 176.117 -0.081 0.000 1.276 182 I CA -0.003 61.311 61.300 0.023 0.000 1.254 182 I CB -0.453 37.548 38.000 0.002 0.000 1.020 182 I HN 0.373 nan 8.210 nan 0.000 0.473 183 S N 0.792 116.414 115.700 -0.130 0.000 2.447 183 S HA 0.055 4.525 4.470 -0.000 0.000 0.233 183 S C 1.013 175.387 174.600 -0.376 0.000 1.006 183 S CA 0.364 58.445 58.200 -0.198 0.000 0.957 183 S CB -0.206 62.896 63.200 -0.163 0.000 0.773 183 S HN 0.348 nan 8.310 nan 0.000 0.507 184 V N 3.369 123.020 119.914 -0.437 0.000 2.389 184 V HA 0.148 4.268 4.120 -0.000 0.000 0.264 184 V C 1.284 177.192 176.094 -0.309 0.000 1.049 184 V CA -0.113 61.840 62.300 -0.579 0.000 0.932 184 V CB 0.833 32.226 31.823 -0.717 0.000 1.011 184 V HN 0.481 nan 8.190 nan 0.000 0.475 185 S N 3.536 119.097 115.700 -0.232 0.000 2.406 185 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 185 S C 1.507 176.086 174.600 -0.036 0.000 1.020 185 S CA 0.882 59.026 58.200 -0.092 0.000 0.965 185 S CB -0.178 62.992 63.200 -0.049 0.000 0.798 185 S HN 0.854 nan 8.310 nan 0.000 0.488 186 E N 1.172 121.358 120.200 -0.025 0.000 2.418 186 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 186 E C 1.553 178.150 176.600 -0.005 0.000 1.026 186 E CA 0.475 56.882 56.400 0.013 0.000 0.862 186 E CB -0.412 29.325 29.700 0.060 0.000 0.799 186 E HN 0.480 nan 8.360 nan 0.000 0.518 187 L N 0.151 121.348 121.223 -0.043 0.000 2.298 187 L HA 0.222 4.562 4.340 -0.000 0.000 0.209 187 L C 1.424 178.390 176.870 0.161 0.000 1.084 187 L CA 1.182 56.020 54.840 -0.004 0.000 0.816 187 L CB -0.026 41.975 42.059 -0.096 0.000 0.967 187 L HN 0.415 nan 8.230 nan 0.000 0.460 188 G N -0.891 107.990 108.800 0.135 0.000 2.481 188 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.230 188 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.230 188 G C -0.292 174.684 174.900 0.128 0.000 1.210 188 G CA -0.179 45.020 45.100 0.166 0.000 0.936 188 G HN 0.368 nan 8.290 nan 0.000 0.583 189 S N -1.631 114.041 115.700 -0.046 0.000 2.536 189 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 189 S C 0.609 174.732 174.600 -0.794 0.000 1.134 189 S CA 0.503 58.487 58.200 -0.361 0.000 0.897 189 S CB 1.610 64.705 63.200 -0.174 0.000 1.094 189 S HN 1.743 nan 8.310 nan 0.000 0.473 190 L N 4.298 124.964 121.223 -0.928 0.000 2.131 190 L HA 0.319 4.659 4.340 -0.000 0.000 0.206 190 L C 1.565 178.142 176.870 -0.487 0.000 1.087 190 L CA 1.655 56.091 54.840 -0.673 0.000 0.767 190 L CB -0.488 41.336 42.059 -0.392 0.000 0.917 190 L HN 0.808 nan 8.230 nan 0.000 0.441 191 L N -0.612 120.415 121.223 -0.325 0.000 2.156 191 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 191 L C 1.841 178.569 176.870 -0.237 0.000 1.095 191 L CA 1.235 55.963 54.840 -0.188 0.000 0.770 191 L CB -0.684 41.322 42.059 -0.089 0.000 0.914 191 L HN 0.230 nan 8.230 nan 0.000 0.439 192 D N -2.033 118.229 120.400 -0.230 0.000 2.346 192 D HA -0.015 4.624 4.640 -0.000 0.000 0.206 192 D C 0.010 176.322 176.300 0.021 0.000 1.001 192 D CA 0.225 54.187 54.000 -0.064 0.000 0.871 192 D CB 0.070 40.848 40.800 -0.036 0.000 0.943 192 D HN 0.329 nan 8.370 nan 0.000 0.518 193 H N 0.359 119.429 119.070 -0.000 0.000 2.765 193 H HA -0.117 4.439 4.556 -0.000 0.000 0.332 193 H C -0.242 175.106 175.328 0.033 0.000 1.180 193 H CA 0.822 56.879 56.048 0.016 0.000 1.142 193 H CB -2.189 27.569 29.762 -0.007 0.000 1.576 193 H HN 0.175 nan 8.280 nan 0.000 0.420 194 S N -1.364 114.402 115.700 0.110 0.000 2.548 194 S HA 0.767 5.237 4.470 -0.000 0.000 0.286 194 S C 0.887 175.561 174.600 0.123 0.000 1.098 194 S CA 0.336 58.595 58.200 0.098 0.000 0.930 194 S CB 3.586 66.822 63.200 0.059 0.000 1.070 194 S HN 1.254 nan 8.310 nan 0.000 0.480 195 G N 2.863 111.717 108.800 0.090 0.000 2.527 195 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.268 195 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.268 195 G C -2.024 172.918 174.900 0.071 0.000 1.175 195 G CA 0.073 45.219 45.100 0.076 0.000 0.962 195 G HN 0.671 nan 8.290 nan 0.000 0.560 196 P HA -0.048 nan 4.420 nan 0.000 0.219 196 P C 1.518 178.799 177.300 -0.032 0.000 1.146 196 P CA 1.781 64.869 63.100 -0.021 0.000 0.808 196 P CB -0.225 31.432 31.700 -0.072 0.000 0.779 197 H N -0.610 118.487 119.070 0.045 0.000 2.353 197 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 197 H C 1.987 177.353 175.328 0.062 0.000 1.090 197 H CA 1.447 57.528 56.048 0.054 0.000 1.327 197 H CB -0.139 29.648 29.762 0.043 0.000 1.383 197 H HN 0.172 nan 8.280 nan 0.000 0.508 198 K N 0.993 121.501 120.400 0.180 0.000 2.155 198 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 198 K C 1.883 178.518 176.600 0.059 0.000 1.052 198 K CA 0.826 57.177 56.287 0.107 0.000 0.948 198 K CB 0.236 32.788 32.500 0.087 0.000 0.728 198 K HN 0.342 nan 8.250 nan 0.000 0.448 199 E N -0.098 120.134 120.200 0.053 0.000 2.150 199 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 199 E C 1.847 178.483 176.600 0.059 0.000 0.985 199 E CA 0.919 57.342 56.400 0.039 0.000 0.814 199 E CB -0.003 29.702 29.700 0.008 0.000 0.752 199 E HN 0.354 nan 8.360 nan 0.000 0.466 200 A N 1.481 124.330 122.820 0.048 0.000 1.872 200 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 200 A C 1.908 179.568 177.584 0.127 0.000 1.187 200 A CA 1.223 53.306 52.037 0.075 0.000 0.614 200 A CB -0.294 18.724 19.000 0.031 0.000 0.826 200 A HN 0.124 nan 8.150 nan 0.000 0.442 201 E N -0.365 119.880 120.200 0.076 0.000 2.150 201 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 201 E C 2.191 178.794 176.600 0.004 0.000 0.985 201 E CA 1.230 57.637 56.400 0.011 0.000 0.814 201 E CB -0.159 29.488 29.700 -0.089 0.000 0.752 201 E HN 0.719 nan 8.360 nan 0.000 0.466 202 Q N -0.521 119.297 119.800 0.029 0.000 2.230 202 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 202 Q C 1.677 177.734 176.000 0.096 0.000 0.963 202 Q CA 0.877 56.699 55.803 0.031 0.000 0.866 202 Q CB -0.034 28.720 28.738 0.026 0.000 0.931 202 Q HN 0.375 nan 8.270 nan 0.000 0.452 203 Y N 0.767 121.081 120.300 0.023 0.000 2.220 203 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 203 Y C 1.832 177.795 175.900 0.106 0.000 1.129 203 Y CA 1.234 59.362 58.100 0.046 0.000 1.161 203 Y CB 0.113 38.593 38.460 0.033 0.000 0.997 203 Y HN -0.012 nan 8.280 nan 0.000 0.522 204 I N 0.120 120.797 120.570 0.178 0.000 2.226 204 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 204 I C 2.643 178.898 176.117 0.231 0.000 1.100 204 I CA 1.199 62.635 61.300 0.227 0.000 1.374 204 I CB -0.672 37.450 38.000 0.203 0.000 1.057 204 I HN 0.318 nan 8.210 nan 0.000 0.413 205 A N 0.508 123.401 122.820 0.121 0.000 1.933 205 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 205 A C 2.463 180.065 177.584 0.031 0.000 1.175 205 A CA 1.517 53.605 52.037 0.085 0.000 0.628 205 A CB -0.579 18.427 19.000 0.010 0.000 0.814 205 A HN 0.325 nan 8.150 nan 0.000 0.444 206 R N -0.606 119.882 120.500 -0.020 0.000 2.115 206 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 206 R C 1.872 178.111 176.300 -0.102 0.000 1.100 206 R CA 1.403 57.461 56.100 -0.070 0.000 0.980 206 R CB -0.179 30.067 30.300 -0.089 0.000 0.875 206 R HN 0.361 nan 8.270 nan 0.000 0.445 207 V N 0.009 119.846 119.914 -0.128 0.000 2.346 207 V HA -0.145 3.975 4.120 -0.000 0.000 0.244 207 V C 1.389 177.451 176.094 -0.053 0.000 1.037 207 V CA 1.456 63.679 62.300 -0.127 0.000 1.029 207 V CB -0.321 31.370 31.823 -0.220 0.000 0.663 207 V HN 0.201 nan 8.190 nan 0.000 0.454 208 F N 0.188 120.103 119.950 -0.059 0.000 2.773 208 F HA 0.299 4.825 4.527 -0.000 0.000 0.304 208 F C 1.042 176.650 175.800 -0.321 0.000 1.129 208 F CA 0.060 57.921 58.000 -0.230 0.000 1.378 208 F CB -0.686 38.068 39.000 -0.411 0.000 1.095 208 F HN 0.250 nan 8.300 nan 0.000 0.565 209 N N 1.176 119.828 118.700 -0.080 0.000 2.573 209 N HA -0.167 4.573 4.740 -0.000 0.000 0.280 209 N C -0.956 174.502 175.510 -0.087 0.000 1.187 209 N CA 0.694 53.685 53.050 -0.099 0.000 0.717 209 N CB -0.740 37.662 38.487 -0.142 0.000 0.899 209 N HN 0.381 nan 8.380 nan 0.000 0.546 210 A N 1.433 124.227 122.820 -0.043 0.000 2.572 210 A HA 0.562 4.882 4.320 -0.000 0.000 0.295 210 A C 0.496 178.060 177.584 -0.033 0.000 1.072 210 A CA -0.397 51.626 52.037 -0.024 0.000 0.691 210 A CB 1.026 20.059 19.000 0.054 0.000 1.291 210 A HN 0.263 nan 8.150 nan 0.000 0.404 211 D N 0.010 120.378 120.400 -0.053 0.000 2.149 211 D HA 0.020 4.659 4.640 -0.000 0.000 0.201 211 D C 0.601 176.844 176.300 -0.095 0.000 0.972 211 D CA 1.353 55.310 54.000 -0.071 0.000 0.835 211 D CB 0.306 41.058 40.800 -0.080 0.000 0.966 211 D HN 0.508 nan 8.370 nan 0.000 0.476 212 R N -0.295 120.138 120.500 -0.113 0.000 2.535 212 R HA 0.352 4.692 4.340 -0.000 0.000 0.274 212 R C -1.574 174.610 176.300 -0.194 0.000 1.090 212 R CA -0.281 55.699 56.100 -0.201 0.000 0.930 212 R CB 1.708 31.863 30.300 -0.242 0.000 1.223 212 R HN -0.211 nan 8.270 nan 0.000 0.441 213 S N 2.206 117.726 115.700 -0.299 0.000 2.566 213 S HA 0.627 5.097 4.470 -0.000 0.000 0.298 213 S C -1.702 172.609 174.600 -0.482 0.000 1.083 213 S CA -0.459 57.607 58.200 -0.223 0.000 0.978 213 S CB 1.146 64.320 63.200 -0.043 0.000 1.073 213 S HN 0.426 nan 8.310 nan 0.000 0.491 214 Y N 0.809 121.044 120.300 -0.107 0.000 2.477 214 Y HA 0.525 5.075 4.550 -0.000 0.000 0.347 214 Y C -0.071 175.853 175.900 0.039 0.000 0.981 214 Y CA -0.848 57.225 58.100 -0.045 0.000 1.033 214 Y CB 1.459 39.905 38.460 -0.023 0.000 1.245 214 Y HN 0.414 nan 8.280 nan 0.000 0.455 215 M N 3.431 123.210 119.600 0.299 0.000 2.238 215 M HA 0.564 5.044 4.480 -0.000 0.000 0.350 215 M C -1.208 175.279 176.300 0.312 0.000 1.138 215 M CA -0.874 54.567 55.300 0.236 0.000 1.040 215 M CB 1.300 34.014 32.600 0.190 0.000 1.639 215 M HN 0.296 nan 8.290 nan 0.000 0.451 216 V N 1.879 121.899 119.914 0.176 0.000 2.459 216 V HA 0.321 4.440 4.120 -0.000 0.000 0.295 216 V C 0.835 176.964 176.094 0.059 0.000 1.029 216 V CA -0.581 61.780 62.300 0.102 0.000 0.874 216 V CB 1.425 33.285 31.823 0.061 0.000 0.985 216 V HN 0.984 nan 8.190 nan 0.000 0.438 217 T N -0.839 113.724 114.554 0.015 0.000 3.122 217 T HA 0.122 4.472 4.350 -0.000 0.000 0.250 217 T C 0.688 175.387 174.700 -0.002 0.000 1.067 217 T CA 0.188 62.296 62.100 0.012 0.000 0.966 217 T CB -0.344 68.518 68.868 -0.010 0.000 1.002 217 T HN 0.480 nan 8.240 nan 0.000 0.542 218 N N 0.845 119.542 118.700 -0.004 0.000 2.451 218 N HA 0.403 5.143 4.740 -0.000 0.000 0.271 218 N C 0.494 176.014 175.510 0.016 0.000 1.410 218 N CA 0.613 53.661 53.050 -0.004 0.000 0.884 218 N CB 0.551 39.028 38.487 -0.017 0.000 1.332 218 N HN 0.631 nan 8.380 nan 0.000 0.498 219 G N -0.497 108.327 108.800 0.041 0.000 2.855 219 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.352 219 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.352 219 G C 0.724 175.641 174.900 0.027 0.000 1.415 219 G CA -0.017 45.127 45.100 0.073 0.000 0.871 219 G HN 0.165 nan 8.290 nan 0.000 0.543 220 T N 0.513 115.066 114.554 -0.002 0.000 2.915 220 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 220 T C 2.715 177.399 174.700 -0.027 0.000 1.071 220 T CA 1.925 63.994 62.100 -0.052 0.000 1.132 220 T CB -0.248 68.529 68.868 -0.152 0.000 0.878 220 T HN 0.675 nan 8.240 nan 0.000 0.479 221 S N 1.626 117.336 115.700 0.017 0.000 2.374 221 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 221 S C 2.272 176.886 174.600 0.024 0.000 1.037 221 S CA 1.624 59.881 58.200 0.095 0.000 1.024 221 S CB -0.528 62.771 63.200 0.165 0.000 0.861 221 S HN 0.616 nan 8.310 nan 0.000 0.456 222 T N 1.471 116.009 114.554 -0.027 0.000 3.054 222 T HA 0.282 4.632 4.350 -0.000 0.000 0.259 222 T C 2.054 176.639 174.700 -0.193 0.000 1.092 222 T CA 0.686 62.713 62.100 -0.122 0.000 1.121 222 T CB -0.197 68.627 68.868 -0.073 0.000 0.912 222 T HN 0.407 nan 8.240 nan 0.000 0.489 223 A N 2.501 125.263 122.820 -0.098 0.000 1.969 223 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 223 A C 2.063 179.581 177.584 -0.110 0.000 1.169 223 A CA 1.482 53.473 52.037 -0.077 0.000 0.635 223 A CB -0.776 18.218 19.000 -0.011 0.000 0.810 223 A HN 0.567 nan 8.150 nan 0.000 0.445 224 N N -0.485 118.167 118.700 -0.079 0.000 2.309 224 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 224 N C 1.552 176.945 175.510 -0.196 0.000 1.018 224 N CA 1.196 54.202 53.050 -0.074 0.000 0.876 224 N CB -0.089 38.435 38.487 0.061 0.000 0.972 224 N HN 0.482 nan 8.380 nan 0.000 0.434 225 K N 0.291 120.525 120.400 -0.277 0.000 2.305 225 K HA 0.098 4.418 4.320 -0.000 0.000 0.199 225 K C 1.512 177.813 176.600 -0.499 0.000 1.047 225 K CA 0.510 56.557 56.287 -0.401 0.000 0.976 225 K CB 0.213 32.373 32.500 -0.567 0.000 0.765 225 K HN 0.204 nan 8.250 nan 0.000 0.474 226 I N 0.335 120.612 120.570 -0.488 0.000 2.333 226 I HA -0.215 3.955 4.170 -0.000 0.000 0.246 226 I C 2.034 177.877 176.117 -0.456 0.000 1.106 226 I CA 0.856 61.914 61.300 -0.403 0.000 1.411 226 I CB -0.081 37.718 38.000 -0.336 0.000 1.082 226 I HN -0.122 nan 8.210 nan 0.000 0.420 227 V N 0.945 120.608 119.914 -0.419 0.000 2.453 227 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 227 V C 2.556 178.312 176.094 -0.564 0.000 1.048 227 V CA 2.010 64.002 62.300 -0.513 0.000 1.049 227 V CB -1.372 30.030 31.823 -0.702 0.000 0.672 227 V HN 0.544 nan 8.190 nan 0.000 0.457 228 G N -0.536 107.986 108.800 -0.464 0.000 2.433 228 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 228 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 228 G C 1.624 176.311 174.900 -0.355 0.000 1.186 228 G CA 0.965 45.803 45.100 -0.436 0.000 0.779 228 G HN 0.397 nan 8.290 nan 0.000 0.543 229 M N -0.783 118.683 119.600 -0.222 0.000 2.279 229 M HA 0.013 4.492 4.480 -0.000 0.000 0.264 229 M C 2.260 178.482 176.300 -0.130 0.000 1.062 229 M CA 1.036 56.255 55.300 -0.135 0.000 1.099 229 M CB -0.209 32.369 32.600 -0.036 0.000 1.394 229 M HN 0.451 nan 8.290 nan 0.000 0.426 230 Y N -0.020 120.104 120.300 -0.293 0.000 2.176 230 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 230 Y C 2.286 178.083 175.900 -0.171 0.000 1.122 230 Y CA 1.671 59.639 58.100 -0.220 0.000 1.128 230 Y CB 0.039 38.354 38.460 -0.242 0.000 1.005 230 Y HN 0.015 nan 8.280 nan 0.000 0.509 231 S N 0.010 115.524 115.700 -0.310 0.000 2.558 231 S HA 0.330 4.800 4.470 -0.000 0.000 0.217 231 S C 0.286 174.716 174.600 -0.283 0.000 0.975 231 S CA 0.356 58.359 58.200 -0.327 0.000 0.912 231 S CB -0.031 63.048 63.200 -0.201 0.000 0.776 231 S HN 0.449 nan 8.310 nan 0.000 0.526 232 A N 2.664 125.302 122.820 -0.304 0.000 2.466 232 A HA 0.679 4.999 4.320 -0.000 0.000 0.291 232 A C -2.956 174.528 177.584 -0.167 0.000 1.234 232 A CA -1.546 50.374 52.037 -0.195 0.000 0.752 232 A CB 0.816 19.713 19.000 -0.172 0.000 1.153 232 A HN 0.068 nan 8.150 nan 0.000 0.458 233 P HA 0.500 nan 4.420 nan 0.000 0.282 233 P C 0.101 177.326 177.300 -0.124 0.000 1.287 233 P CA -0.435 62.590 63.100 -0.125 0.000 0.792 233 P CB 0.716 32.351 31.700 -0.108 0.000 1.163 234 A N 0.130 122.874 122.820 -0.126 0.000 2.450 234 A HA 0.467 4.787 4.320 -0.000 0.000 0.255 234 A C 1.297 178.811 177.584 -0.116 0.000 1.096 234 A CA 0.617 52.562 52.037 -0.153 0.000 0.778 234 A CB -1.496 17.407 19.000 -0.162 0.000 1.031 234 A HN 0.862 nan 8.150 nan 0.000 0.494 235 G N 1.335 110.063 108.800 -0.120 0.000 2.176 235 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.253 235 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.253 235 G C 0.563 175.424 174.900 -0.065 0.000 0.979 235 G CA 0.858 45.910 45.100 -0.079 0.000 0.641 235 G HN 2.094 nan 8.290 nan 0.000 0.530 236 S N -0.460 115.193 115.700 -0.078 0.000 2.693 236 S HA 0.779 5.248 4.470 -0.000 0.000 0.276 236 S C 0.086 174.640 174.600 -0.077 0.000 1.192 236 S CA 0.436 58.596 58.200 -0.066 0.000 0.994 236 S CB 1.961 65.120 63.200 -0.068 0.000 1.012 236 S HN 0.638 nan 8.310 nan 0.000 0.550 237 T N 1.826 116.333 114.554 -0.079 0.000 2.829 237 T HA 0.620 4.970 4.350 -0.000 0.000 0.282 237 T C 0.002 174.619 174.700 -0.138 0.000 0.990 237 T CA -0.592 61.440 62.100 -0.114 0.000 1.028 237 T CB 0.388 69.182 68.868 -0.124 0.000 0.951 237 T HN 0.748 nan 8.240 nan 0.000 0.460 238 I N -0.096 120.376 120.570 -0.164 0.000 2.689 238 I HA 0.668 4.838 4.170 -0.000 0.000 0.299 238 I C -1.187 174.773 176.117 -0.261 0.000 1.059 238 I CA -1.426 59.778 61.300 -0.160 0.000 1.055 238 I CB 1.564 39.510 38.000 -0.090 0.000 1.243 238 I HN 0.424 nan 8.210 nan 0.000 0.425 239 L N 6.113 127.182 121.223 -0.256 0.000 2.272 239 L HA 0.609 4.948 4.340 -0.000 0.000 0.289 239 L C -0.580 176.197 176.870 -0.156 0.000 1.032 239 L CA -0.433 54.202 54.840 -0.341 0.000 0.810 239 L CB 1.656 43.509 42.059 -0.344 0.000 1.205 239 L HN 0.613 nan 8.230 nan 0.000 0.422 240 I N 2.371 122.819 120.570 -0.204 0.000 2.533 240 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 240 I C -0.689 175.530 176.117 0.170 0.000 1.056 240 I CA -0.570 60.717 61.300 -0.023 0.000 1.057 240 I CB 2.102 40.028 38.000 -0.123 0.000 1.240 240 I HN 0.488 nan 8.210 nan 0.000 0.423 241 D N 4.668 125.233 120.400 0.275 0.000 2.414 241 D HA 0.060 4.700 4.640 -0.000 0.000 0.242 241 D C 0.963 177.436 176.300 0.289 0.000 1.129 241 D CA 0.223 54.401 54.000 0.297 0.000 0.885 241 D CB 1.325 42.221 40.800 0.160 0.000 1.198 241 D HN 0.468 nan 8.370 nan 0.000 0.437 242 R N 2.000 122.672 120.500 0.286 0.000 2.090 242 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 242 R C 0.452 176.850 176.300 0.164 0.000 1.110 242 R CA 0.682 56.918 56.100 0.226 0.000 0.973 242 R CB -0.352 30.042 30.300 0.157 0.000 0.869 242 R HN 0.315 nan 8.270 nan 0.000 0.440 243 N N 0.693 119.485 118.700 0.153 0.000 3.103 243 N HA 0.014 4.753 4.740 -0.000 0.000 0.305 243 N C -1.158 174.454 175.510 0.171 0.000 1.232 243 N CA -0.110 53.020 53.050 0.133 0.000 1.190 243 N CB -0.538 38.026 38.487 0.129 0.000 1.461 243 N HN 0.341 nan 8.380 nan 0.000 0.538 244 C N -0.043 119.357 119.300 0.167 0.000 2.630 244 C HA 0.555 5.015 4.460 -0.000 0.000 0.346 244 C C 0.760 175.870 174.990 0.199 0.000 1.245 244 C CA -1.290 57.840 59.018 0.186 0.000 1.804 244 C CB 1.223 29.064 27.740 0.169 0.000 2.279 244 C HN 0.557 nan 8.230 nan 0.000 0.498 245 H N 0.600 119.736 119.070 0.110 0.000 2.603 245 H HA 0.143 4.699 4.556 -0.000 0.000 0.370 245 H C 0.883 176.219 175.328 0.013 0.000 1.225 245 H CA 0.356 56.460 56.048 0.093 0.000 1.410 245 H CB 1.070 30.892 29.762 0.099 0.000 1.495 245 H HN 0.871 nan 8.280 nan 0.000 0.602 246 K N 0.980 121.010 120.400 -0.617 0.000 2.147 246 K HA -0.145 4.174 4.320 -0.000 0.000 0.205 246 K C 2.121 178.392 176.600 -0.548 0.000 1.049 246 K CA 1.700 57.669 56.287 -0.529 0.000 0.936 246 K CB -0.163 32.035 32.500 -0.503 0.000 0.722 246 K HN 0.548 nan 8.250 nan 0.000 0.446 247 S N -0.062 115.527 115.700 -0.186 0.000 2.406 247 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 247 S C 1.923 176.553 174.600 0.049 0.000 1.020 247 S CA 0.911 59.178 58.200 0.110 0.000 0.965 247 S CB -0.484 62.921 63.200 0.340 0.000 0.798 247 S HN 0.300 nan 8.310 nan 0.000 0.488 248 L N 1.420 122.679 121.223 0.060 0.000 2.275 248 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 248 L C 2.682 179.559 176.870 0.011 0.000 1.119 248 L CA 1.270 56.149 54.840 0.064 0.000 0.790 248 L CB -0.932 41.196 42.059 0.115 0.000 0.919 248 L HN 0.389 nan 8.230 nan 0.000 0.443 249 T N -2.282 112.220 114.554 -0.087 0.000 2.857 249 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 249 T C 1.647 176.298 174.700 -0.081 0.000 1.048 249 T CA 1.188 63.228 62.100 -0.100 0.000 1.139 249 T CB -0.324 68.431 68.868 -0.189 0.000 0.874 249 T HN 0.466 nan 8.240 nan 0.000 0.455 250 H N 0.451 119.508 119.070 -0.022 0.000 2.423 250 H HA 0.067 4.623 4.556 -0.000 0.000 0.297 250 H C 2.187 177.491 175.328 -0.040 0.000 1.075 250 H CA 0.703 56.711 56.048 -0.067 0.000 1.342 250 H CB -0.126 29.596 29.762 -0.068 0.000 1.395 250 H HN 0.093 nan 8.280 nan 0.000 0.530 251 L N 0.484 121.764 121.223 0.094 0.000 2.083 251 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 251 L C 1.935 178.838 176.870 0.055 0.000 1.083 251 L CA 1.584 56.456 54.840 0.053 0.000 0.752 251 L CB -0.329 41.743 42.059 0.021 0.000 0.899 251 L HN 0.278 nan 8.230 nan 0.000 0.433 252 M N -1.801 117.834 119.600 0.058 0.000 2.394 252 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 252 M C 1.986 178.377 176.300 0.152 0.000 1.073 252 M CA 1.394 56.739 55.300 0.075 0.000 1.111 252 M CB -0.167 32.471 32.600 0.063 0.000 1.401 252 M HN 0.300 nan 8.290 nan 0.000 0.448 253 M N -1.155 118.515 119.600 0.116 0.000 2.447 253 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 253 M C 1.877 178.283 176.300 0.176 0.000 1.095 253 M CA 1.126 56.480 55.300 0.090 0.000 1.125 253 M CB -0.021 32.484 32.600 -0.157 0.000 1.389 253 M HN 0.262 nan 8.290 nan 0.000 0.459 254 M N -1.214 118.493 119.600 0.180 0.000 2.466 254 M HA 0.070 4.549 4.480 -0.000 0.000 0.265 254 M C 0.135 176.620 176.300 0.309 0.000 1.122 254 M CA 0.503 55.935 55.300 0.221 0.000 1.157 254 M CB 0.567 33.233 32.600 0.110 0.000 1.352 254 M HN -0.091 nan 8.290 nan 0.000 0.464 255 S N 0.593 116.388 115.700 0.160 0.000 2.475 255 S HA 0.171 4.641 4.470 -0.000 0.000 0.298 255 S C -0.614 173.786 174.600 -0.333 0.000 1.119 255 S CA -0.789 57.363 58.200 -0.081 0.000 1.085 255 S CB 1.390 64.545 63.200 -0.074 0.000 1.028 255 S HN 0.113 nan 8.310 nan 0.000 0.489 256 D N 3.035 122.973 120.400 -0.771 0.000 2.498 256 D HA 0.290 4.929 4.640 -0.000 0.000 0.229 256 D C -0.380 175.726 176.300 -0.323 0.000 1.188 256 D CA -0.155 53.335 54.000 -0.849 0.000 1.028 256 D CB -0.429 39.813 40.800 -0.930 0.000 1.087 256 D HN 0.310 nan 8.370 nan 0.000 0.510 257 V N 0.220 120.027 119.914 -0.178 0.000 2.876 257 V HA 0.647 4.767 4.120 -0.000 0.000 0.312 257 V C 0.173 176.226 176.094 -0.068 0.000 1.085 257 V CA -0.940 61.293 62.300 -0.111 0.000 0.945 257 V CB 1.862 33.623 31.823 -0.103 0.000 1.017 257 V HN 0.156 nan 8.190 nan 0.000 0.428 258 T N 5.383 119.892 114.554 -0.075 0.000 2.733 258 T HA 0.563 4.913 4.350 -0.000 0.000 0.294 258 T C -2.638 171.984 174.700 -0.129 0.000 0.956 258 T CA -0.878 61.181 62.100 -0.069 0.000 0.987 258 T CB 1.284 70.121 68.868 -0.051 0.000 0.920 258 T HN 0.754 nan 8.240 nan 0.000 0.470 259 P HA 0.539 nan 4.420 nan 0.000 0.292 259 P C -0.871 176.188 177.300 -0.402 0.000 1.283 259 P CA -0.740 62.145 63.100 -0.358 0.000 0.835 259 P CB 1.068 32.448 31.700 -0.534 0.000 1.017 260 I N 3.339 123.629 120.570 -0.466 0.000 2.382 260 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 260 I C -0.231 175.572 176.117 -0.525 0.000 1.002 260 I CA -0.916 60.142 61.300 -0.404 0.000 1.135 260 I CB 0.824 38.602 38.000 -0.371 0.000 1.288 260 I HN 0.256 nan 8.210 nan 0.000 0.448 261 Y N 5.547 125.705 120.300 -0.237 0.000 2.316 261 Y HA 0.326 4.875 4.550 -0.000 0.000 0.331 261 Y C 0.248 176.001 175.900 -0.246 0.000 1.083 261 Y CA -0.106 57.883 58.100 -0.185 0.000 1.206 261 Y CB 0.559 38.977 38.460 -0.070 0.000 1.195 261 Y HN 0.338 nan 8.280 nan 0.000 0.497 262 F N 2.525 122.488 119.950 0.023 0.000 2.444 262 F HA 0.356 4.882 4.527 -0.000 0.000 0.331 262 F C 0.543 176.350 175.800 0.012 0.000 1.167 262 F CA -0.198 57.767 58.000 -0.059 0.000 1.262 262 F CB 0.614 39.532 39.000 -0.137 0.000 1.196 262 F HN 0.241 nan 8.300 nan 0.000 0.583 263 R N 2.772 123.398 120.500 0.210 0.000 2.310 263 R HA 0.310 4.650 4.340 -0.000 0.000 0.316 263 R C -2.654 173.720 176.300 0.124 0.000 1.004 263 R CA -1.816 54.361 56.100 0.130 0.000 0.900 263 R CB 0.938 31.282 30.300 0.073 0.000 1.152 263 R HN 0.239 nan 8.270 nan 0.000 0.513 264 P HA 0.081 nan 4.420 nan 0.000 0.282 264 P C -0.175 177.160 177.300 0.058 0.000 1.249 264 P CA -0.413 62.753 63.100 0.110 0.000 0.806 264 P CB 1.208 32.984 31.700 0.127 0.000 0.984 265 T N 0.474 115.042 114.554 0.024 0.000 2.813 265 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 265 T C 0.378 175.162 174.700 0.140 0.000 1.036 265 T CA -0.614 61.511 62.100 0.042 0.000 1.044 265 T CB 0.456 69.294 68.868 -0.051 0.000 0.993 265 T HN 0.649 nan 8.240 nan 0.000 0.535 266 R N 0.539 121.239 120.500 0.333 0.000 2.668 266 R HA 0.509 4.849 4.340 -0.000 0.000 0.272 266 R C -1.015 175.570 176.300 0.474 0.000 1.019 266 R CA -1.045 55.302 56.100 0.411 0.000 0.894 266 R CB 1.094 31.463 30.300 0.114 0.000 1.228 266 R HN 0.759 nan 8.270 nan 0.000 0.460 267 N N 1.324 120.148 118.700 0.207 0.000 2.643 267 N HA 0.304 5.044 4.740 -0.000 0.000 0.305 267 N C 0.609 176.106 175.510 -0.021 0.000 1.283 267 N CA -0.289 52.705 53.050 -0.093 0.000 0.946 267 N CB 0.448 38.629 38.487 -0.509 0.000 1.149 267 N HN 0.625 nan 8.380 nan 0.000 0.600 268 A N -0.995 121.716 122.820 -0.182 0.000 1.968 268 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 268 A C 1.609 179.043 177.584 -0.250 0.000 1.169 268 A CA 0.883 52.751 52.037 -0.282 0.000 0.638 268 A CB -1.062 17.653 19.000 -0.474 0.000 0.812 268 A HN 0.628 nan 8.150 nan 0.000 0.446 269 Y N -1.200 119.062 120.300 -0.062 0.000 2.286 269 Y HA 0.268 4.818 4.550 -0.000 0.000 0.293 269 Y C 2.110 177.990 175.900 -0.033 0.000 1.124 269 Y CA 0.932 59.014 58.100 -0.030 0.000 1.178 269 Y CB -0.030 38.373 38.460 -0.093 0.000 1.010 269 Y HN 0.433 nan 8.280 nan 0.000 0.536 270 G N -0.424 108.415 108.800 0.066 0.000 2.227 270 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.168 270 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.168 270 G C -0.095 174.757 174.900 -0.081 0.000 1.006 270 G CA -0.385 44.703 45.100 -0.021 0.000 0.684 270 G HN 0.158 nan 8.290 nan 0.000 0.489 271 I N 2.051 122.567 120.570 -0.091 0.000 2.505 271 I HA 0.252 4.421 4.170 -0.000 0.000 0.287 271 I C 0.509 176.661 176.117 0.058 0.000 1.104 271 I CA -0.418 60.794 61.300 -0.146 0.000 1.387 271 I CB 0.701 38.416 38.000 -0.475 0.000 1.404 271 I HN -0.042 nan 8.210 nan 0.000 0.528 272 L N 7.291 128.525 121.223 0.020 0.000 2.385 272 L HA 0.291 4.631 4.340 -0.000 0.000 0.281 272 L C 1.041 177.973 176.870 0.103 0.000 1.106 272 L CA 0.459 55.334 54.840 0.059 0.000 0.856 272 L CB 0.369 42.410 42.059 -0.030 0.000 1.186 272 L HN 0.663 nan 8.230 nan 0.000 0.453 273 G N 2.036 110.876 108.800 0.068 0.000 2.535 273 G HA2 0.505 4.465 3.960 -0.000 0.000 0.282 273 G HA3 0.505 4.465 3.960 -0.000 0.000 0.282 273 G C 0.166 174.933 174.900 -0.222 0.000 1.350 273 G CA -0.238 44.667 45.100 -0.326 0.000 1.039 273 G HN 0.739 nan 8.290 nan 0.000 0.509 274 G N -1.523 107.072 108.800 -0.341 0.000 2.537 274 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 274 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 274 G C -0.084 174.908 174.900 0.154 0.000 1.189 274 G CA -0.750 44.236 45.100 -0.190 0.000 0.881 274 G HN 0.598 nan 8.290 nan 0.000 0.535 275 I N 2.108 122.981 120.570 0.506 0.000 2.452 275 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 275 I C -1.838 174.578 176.117 0.498 0.000 1.079 275 I CA -1.433 60.110 61.300 0.405 0.000 1.387 275 I CB 1.103 39.258 38.000 0.258 0.000 1.404 275 I HN 0.202 nan 8.210 nan 0.000 0.522 276 P HA -0.027 nan 4.420 nan 0.000 0.269 276 P C 0.145 177.514 177.300 0.115 0.000 1.211 276 P CA -0.021 63.112 63.100 0.055 0.000 0.781 276 P CB 0.462 32.182 31.700 0.035 0.000 0.877 277 Q N 0.705 120.407 119.800 -0.163 0.000 2.291 277 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 277 Q C 1.833 178.023 176.000 0.316 0.000 0.976 277 Q CA 1.741 57.557 55.803 0.021 0.000 0.875 277 Q CB -0.337 28.156 28.738 -0.408 0.000 0.927 277 Q HN 0.584 nan 8.270 nan 0.000 0.450 278 S N 0.509 116.313 115.700 0.174 0.000 2.423 278 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 278 S C 1.570 176.276 174.600 0.177 0.000 1.014 278 S CA 0.596 58.898 58.200 0.169 0.000 0.965 278 S CB 0.027 63.286 63.200 0.098 0.000 0.785 278 S HN 0.247 nan 8.310 nan 0.000 0.495 279 E N 0.605 120.902 120.200 0.161 0.000 2.285 279 E HA 0.080 4.429 4.350 -0.000 0.000 0.194 279 E C 0.942 177.568 176.600 0.044 0.000 0.997 279 E CA 0.582 57.019 56.400 0.061 0.000 0.845 279 E CB -0.261 29.439 29.700 -0.000 0.000 0.782 279 E HN 0.708 nan 8.360 nan 0.000 0.491 280 F N 1.236 121.346 119.950 0.267 0.000 2.776 280 F HA 0.088 4.614 4.527 -0.000 0.000 0.300 280 F C 1.275 177.184 175.800 0.181 0.000 1.116 280 F CA 0.137 58.285 58.000 0.246 0.000 1.375 280 F CB 0.246 39.393 39.000 0.245 0.000 1.109 280 F HN -0.210 nan 8.300 nan 0.000 0.585 281 Q N -0.060 119.932 119.800 0.321 0.000 2.354 281 Q HA 0.001 4.341 4.340 -0.000 0.000 0.244 281 Q C 1.206 177.356 176.000 0.250 0.000 0.969 281 Q CA -0.290 55.667 55.803 0.256 0.000 0.885 281 Q CB 0.785 29.659 28.738 0.227 0.000 1.241 281 Q HN 0.253 nan 8.270 nan 0.000 0.461 282 H N 1.500 120.686 119.070 0.194 0.000 2.422 282 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 282 H C 1.546 177.013 175.328 0.231 0.000 1.098 282 H CA 1.849 58.053 56.048 0.261 0.000 1.315 282 H CB 0.418 30.289 29.762 0.182 0.000 1.382 282 H HN 0.783 nan 8.280 nan 0.000 0.523 283 A N -0.261 122.727 122.820 0.279 0.000 1.898 283 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 283 A C 2.608 180.273 177.584 0.135 0.000 1.181 283 A CA 1.841 53.995 52.037 0.195 0.000 0.620 283 A CB -0.750 18.337 19.000 0.144 0.000 0.819 283 A HN 0.474 nan 8.150 nan 0.000 0.442 284 T N 0.265 114.887 114.554 0.113 0.000 2.904 284 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 284 T C 1.750 176.462 174.700 0.019 0.000 1.059 284 T CA 1.363 63.501 62.100 0.063 0.000 1.137 284 T CB -0.355 68.549 68.868 0.061 0.000 0.879 284 T HN 0.424 nan 8.240 nan 0.000 0.467 285 I N 1.603 122.179 120.570 0.011 0.000 2.286 285 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 285 I C 2.961 179.080 176.117 0.004 0.000 1.104 285 I CA 0.975 62.217 61.300 -0.096 0.000 1.397 285 I CB -0.494 37.364 38.000 -0.238 0.000 1.072 285 I HN 0.166 nan 8.210 nan 0.000 0.417 286 A N 0.633 123.567 122.820 0.189 0.000 1.972 286 A HA -0.238 4.081 4.320 -0.000 0.000 0.219 286 A C 2.387 180.048 177.584 0.128 0.000 1.169 286 A CA 1.689 53.890 52.037 0.273 0.000 0.635 286 A CB -0.491 18.653 19.000 0.239 0.000 0.810 286 A HN 0.353 nan 8.150 nan 0.000 0.446 287 K N -0.455 119.993 120.400 0.079 0.000 2.103 287 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 287 K C 2.139 178.750 176.600 0.019 0.000 1.052 287 K CA 1.008 57.323 56.287 0.046 0.000 0.945 287 K CB -0.114 32.409 32.500 0.039 0.000 0.722 287 K HN 0.428 nan 8.250 nan 0.000 0.443 288 R N 0.017 120.512 120.500 -0.008 0.000 2.193 288 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 288 R C 2.106 178.382 176.300 -0.041 0.000 1.055 288 R CA 0.584 56.659 56.100 -0.042 0.000 0.995 288 R CB 0.043 30.285 30.300 -0.095 0.000 0.893 288 R HN 0.043 nan 8.270 nan 0.000 0.459 289 V N 1.398 121.303 119.914 -0.016 0.000 2.358 289 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 289 V C 2.370 178.478 176.094 0.024 0.000 1.047 289 V CA 1.621 63.926 62.300 0.009 0.000 1.035 289 V CB -0.371 31.510 31.823 0.096 0.000 0.658 289 V HN 0.268 nan 8.190 nan 0.000 0.452 290 K N 0.029 120.450 120.400 0.034 0.000 2.097 290 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 290 K C 2.042 178.651 176.600 0.015 0.000 1.050 290 K CA 1.696 58.000 56.287 0.029 0.000 0.938 290 K CB -0.013 32.507 32.500 0.033 0.000 0.718 290 K HN 0.556 nan 8.250 nan 0.000 0.442 291 E N -0.273 119.932 120.200 0.008 0.000 2.230 291 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 291 E C -0.159 176.441 176.600 -0.000 0.000 0.987 291 E CA 0.598 57.000 56.400 0.003 0.000 0.841 291 E CB 0.399 30.099 29.700 0.000 0.000 0.783 291 E HN 0.142 nan 8.360 nan 0.000 0.481 292 T N 3.283 117.833 114.554 -0.007 0.000 2.771 292 T HA 0.246 4.596 4.350 -0.000 0.000 0.291 292 T C -2.427 172.270 174.700 -0.004 0.000 0.954 292 T CA -1.591 60.503 62.100 -0.009 0.000 1.045 292 T CB 1.264 70.115 68.868 -0.027 0.000 0.917 292 T HN -0.115 nan 8.240 nan 0.000 0.484 293 P HA 0.275 nan 4.420 nan 0.000 0.271 293 P C 0.252 177.552 177.300 -0.000 0.000 1.218 293 P CA -0.234 62.868 63.100 0.003 0.000 0.780 293 P CB 0.239 31.944 31.700 0.007 0.000 0.901 294 N N -1.429 117.271 118.700 0.001 0.000 2.900 294 N HA -0.219 4.520 4.740 -0.000 0.000 0.240 294 N C -0.231 175.273 175.510 -0.010 0.000 0.953 294 N CA 0.991 54.040 53.050 -0.002 0.000 0.950 294 N CB -1.582 36.903 38.487 -0.002 0.000 1.102 294 N HN 0.543 nan 8.380 nan 0.000 0.593 295 A N 0.636 123.449 122.820 -0.012 0.000 2.276 295 A HA 0.609 4.929 4.320 -0.000 0.000 0.300 295 A C 0.897 178.483 177.584 0.004 0.000 1.235 295 A CA 0.258 52.282 52.037 -0.023 0.000 0.867 295 A CB 0.458 19.431 19.000 -0.044 0.000 1.137 295 A HN 0.299 nan 8.150 nan 0.000 0.527 296 T N 0.038 114.598 114.554 0.011 0.000 2.898 296 T HA 0.430 4.779 4.350 -0.000 0.000 0.283 296 T C 0.318 175.084 174.700 0.111 0.000 1.059 296 T CA -0.653 61.488 62.100 0.069 0.000 0.958 296 T CB 0.374 69.284 68.868 0.070 0.000 1.594 296 T HN 0.710 nan 8.240 nan 0.000 0.598 297 W N 2.867 124.141 121.300 -0.043 0.000 2.303 297 W HA 0.306 4.965 4.660 -0.000 0.000 0.318 297 W C -2.590 173.898 176.519 -0.051 0.000 1.362 297 W CA -2.107 55.207 57.345 -0.052 0.000 1.234 297 W CB 0.197 29.638 29.460 -0.032 0.000 1.248 297 W HN 0.427 nan 8.180 nan 0.000 0.546 298 P HA -0.116 nan 4.420 nan 0.000 0.264 298 P C 0.674 177.775 177.300 -0.331 0.000 1.193 298 P CA 0.401 63.206 63.100 -0.492 0.000 0.763 298 P CB 0.817 32.133 31.700 -0.640 0.000 0.810 299 V N 0.010 119.848 119.914 -0.127 0.000 3.431 299 V HA 0.228 4.347 4.120 -0.000 0.000 0.253 299 V C 0.392 176.525 176.094 0.065 0.000 1.184 299 V CA 0.782 63.076 62.300 -0.010 0.000 1.104 299 V CB -0.827 31.002 31.823 0.011 0.000 0.799 299 V HN 0.477 nan 8.190 nan 0.000 0.462 300 H N 0.598 119.616 119.070 -0.088 0.000 2.782 300 H HA 0.798 5.354 4.556 -0.000 0.000 0.347 300 H C -0.685 174.610 175.328 -0.055 0.000 1.038 300 H CA 0.069 56.087 56.048 -0.049 0.000 1.255 300 H CB 1.681 31.404 29.762 -0.064 0.000 1.623 300 H HN 0.464 nan 8.280 nan 0.000 0.525 301 A N 4.551 127.116 122.820 -0.425 0.000 2.331 301 A HA 0.636 4.956 4.320 -0.000 0.000 0.320 301 A C -1.216 176.157 177.584 -0.352 0.000 1.138 301 A CA -0.652 51.228 52.037 -0.261 0.000 0.790 301 A CB 1.020 19.968 19.000 -0.086 0.000 1.206 301 A HN 0.464 nan 8.150 nan 0.000 0.470 302 V N 3.841 123.658 119.914 -0.161 0.000 2.409 302 V HA 0.474 4.593 4.120 -0.000 0.000 0.291 302 V C -0.564 175.450 176.094 -0.133 0.000 1.020 302 V CA -0.102 62.122 62.300 -0.126 0.000 0.848 302 V CB 0.988 32.841 31.823 0.050 0.000 0.990 302 V HN 0.723 nan 8.190 nan 0.000 0.430 303 I N 3.177 123.567 120.570 -0.300 0.000 2.466 303 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 303 I C 0.225 176.267 176.117 -0.126 0.000 1.026 303 I CA -0.343 60.791 61.300 -0.276 0.000 1.078 303 I CB 2.288 40.027 38.000 -0.435 0.000 1.249 303 I HN 0.451 nan 8.210 nan 0.000 0.429 304 T N 4.070 118.619 114.554 -0.008 0.000 2.855 304 T HA 0.150 4.499 4.350 -0.000 0.000 0.290 304 T C -0.123 174.719 174.700 0.238 0.000 0.941 304 T CA -0.116 62.058 62.100 0.123 0.000 1.030 304 T CB -0.641 68.340 68.868 0.189 0.000 0.935 304 T HN 0.459 nan 8.240 nan 0.000 0.564 305 N N 2.305 121.150 118.700 0.240 0.000 2.399 305 N HA 0.384 5.124 4.740 -0.000 0.000 0.280 305 N C -0.055 175.562 175.510 0.177 0.000 1.008 305 N CA -0.579 52.651 53.050 0.300 0.000 0.894 305 N CB 1.251 39.904 38.487 0.277 0.000 1.273 305 N HN 0.470 nan 8.380 nan 0.000 0.486 306 S N 1.448 117.264 115.700 0.193 0.000 2.713 306 S HA 0.522 4.992 4.470 -0.000 0.000 0.277 306 S C 0.460 175.227 174.600 0.278 0.000 1.168 306 S CA -0.554 57.791 58.200 0.243 0.000 0.994 306 S CB 0.284 63.592 63.200 0.180 0.000 1.054 306 S HN 0.647 nan 8.310 nan 0.000 0.555 307 T N -1.485 113.199 114.554 0.217 0.000 2.726 307 T HA 0.188 4.538 4.350 -0.000 0.000 0.294 307 T C 0.664 175.387 174.700 0.039 0.000 1.013 307 T CA -0.212 61.998 62.100 0.183 0.000 0.996 307 T CB -0.188 68.762 68.868 0.138 0.000 1.016 307 T HN 0.577 nan 8.240 nan 0.000 0.529 308 Y N 0.368 120.597 120.300 -0.119 0.000 2.242 308 Y HA -0.043 4.507 4.550 -0.000 0.000 0.291 308 Y C 2.226 177.911 175.900 -0.359 0.000 1.137 308 Y CA 1.734 59.580 58.100 -0.423 0.000 1.181 308 Y CB -0.129 38.196 38.460 -0.226 0.000 0.989 308 Y HN 0.689 nan 8.280 nan 0.000 0.527 309 D N -0.839 119.584 120.400 0.038 0.000 2.340 309 D HA 0.120 4.760 4.640 -0.000 0.000 0.220 309 D C 0.749 177.121 176.300 0.120 0.000 1.039 309 D CA 1.069 55.088 54.000 0.033 0.000 0.866 309 D CB 0.004 40.783 40.800 -0.034 0.000 0.913 309 D HN 0.383 nan 8.370 nan 0.000 0.523 310 G N 1.425 110.287 108.800 0.104 0.000 2.756 310 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.272 310 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.272 310 G C -0.429 174.627 174.900 0.260 0.000 1.128 310 G CA -0.466 44.747 45.100 0.188 0.000 1.145 310 G HN 0.235 nan 8.290 nan 0.000 0.545 311 L N 0.880 122.211 121.223 0.180 0.000 2.439 311 L HA 0.566 4.906 4.340 -0.000 0.000 0.270 311 L C 0.398 177.272 176.870 0.007 0.000 0.972 311 L CA -0.888 54.022 54.840 0.116 0.000 0.836 311 L CB 1.929 44.022 42.059 0.056 0.000 1.255 311 L HN 0.246 nan 8.230 nan 0.000 0.404 312 L N 3.210 124.466 121.223 0.055 0.000 2.292 312 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 312 L C -0.686 176.161 176.870 -0.038 0.000 1.065 312 L CA -0.430 54.452 54.840 0.070 0.000 0.806 312 L CB 0.862 43.014 42.059 0.155 0.000 1.175 312 L HN 0.389 nan 8.230 nan 0.000 0.431 313 Y N 1.447 121.730 120.300 -0.028 0.000 2.304 313 Y HA 0.049 4.598 4.550 -0.000 0.000 0.327 313 Y C 0.785 176.652 175.900 -0.056 0.000 1.209 313 Y CA -0.229 57.787 58.100 -0.140 0.000 1.299 313 Y CB 0.467 38.861 38.460 -0.110 0.000 1.249 313 Y HN 0.490 nan 8.280 nan 0.000 0.519 314 N N 1.335 120.087 118.700 0.086 0.000 2.421 314 N HA -0.019 4.721 4.740 -0.000 0.000 0.260 314 N C 0.798 176.390 175.510 0.136 0.000 1.173 314 N CA 0.207 53.364 53.050 0.178 0.000 0.960 314 N CB 0.377 39.001 38.487 0.228 0.000 1.273 314 N HN 0.745 nan 8.380 nan 0.000 0.497 315 T N -0.619 113.961 114.554 0.043 0.000 2.951 315 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 315 T C 0.979 175.711 174.700 0.053 0.000 1.073 315 T CA 0.755 62.853 62.100 -0.003 0.000 1.134 315 T CB 0.004 68.737 68.868 -0.225 0.000 0.884 315 T HN 0.266 nan 8.240 nan 0.000 0.479 316 D N 0.350 120.787 120.400 0.063 0.000 2.264 316 D HA 0.021 4.660 4.640 -0.000 0.000 0.208 316 D C 1.392 177.760 176.300 0.115 0.000 0.966 316 D CA 0.527 54.569 54.000 0.070 0.000 0.864 316 D CB -0.350 40.486 40.800 0.061 0.000 0.933 316 D HN 0.481 nan 8.370 nan 0.000 0.499 317 F N 1.025 120.985 119.950 0.017 0.000 2.149 317 F HA -0.017 4.510 4.527 -0.000 0.000 0.294 317 F C 2.123 177.908 175.800 -0.026 0.000 1.095 317 F CA 0.896 58.904 58.000 0.014 0.000 1.276 317 F CB -0.053 38.971 39.000 0.040 0.000 1.023 317 F HN -0.188 nan 8.300 nan 0.000 0.480 318 I N 0.454 121.043 120.570 0.032 0.000 2.315 318 I HA -0.277 3.892 4.170 -0.000 0.000 0.248 318 I C 2.125 178.213 176.117 -0.049 0.000 1.117 318 I CA 1.367 62.590 61.300 -0.128 0.000 1.404 318 I CB -0.576 37.327 38.000 -0.162 0.000 1.071 318 I HN 0.063 nan 8.210 nan 0.000 0.419 319 K N 0.709 121.123 120.400 0.022 0.000 2.147 319 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 319 K C 2.174 178.769 176.600 -0.007 0.000 1.049 319 K CA 1.237 57.548 56.287 0.039 0.000 0.936 319 K CB -0.045 32.489 32.500 0.056 0.000 0.722 319 K HN 0.237 nan 8.250 nan 0.000 0.446 320 K N -0.138 120.221 120.400 -0.068 0.000 2.168 320 K HA -0.005 4.315 4.320 -0.000 0.000 0.201 320 K C 1.793 178.317 176.600 -0.128 0.000 1.049 320 K CA 1.068 57.303 56.287 -0.086 0.000 0.974 320 K CB 0.329 32.772 32.500 -0.095 0.000 0.792 320 K HN -0.014 nan 8.250 nan 0.000 0.463 321 T N 1.570 115.957 114.554 -0.279 0.000 2.770 321 T HA -0.051 4.299 4.350 -0.000 0.000 0.258 321 T C 0.493 175.181 174.700 -0.020 0.000 1.039 321 T CA 0.278 62.213 62.100 -0.275 0.000 1.143 321 T CB -0.081 68.361 68.868 -0.710 0.000 0.866 321 T HN 0.050 nan 8.240 nan 0.000 0.428 322 L N 3.309 124.553 121.223 0.034 0.000 2.500 322 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 322 L C -0.250 176.716 176.870 0.160 0.000 1.149 322 L CA 0.301 55.238 54.840 0.163 0.000 0.897 322 L CB 0.220 42.404 42.059 0.209 0.000 1.178 322 L HN 0.057 nan 8.230 nan 0.000 0.473 323 D N 5.046 125.597 120.400 0.251 0.000 3.168 323 D HA 0.146 4.786 4.640 -0.000 0.000 0.255 323 D C -0.577 175.926 176.300 0.338 0.000 1.314 323 D CA 0.176 54.371 54.000 0.326 0.000 0.900 323 D CB 0.296 41.412 40.800 0.527 0.000 1.072 323 D HN 0.196 nan 8.370 nan 0.000 0.487 324 V N 1.292 121.314 119.914 0.180 0.000 2.581 324 V HA 0.124 4.244 4.120 -0.000 0.000 0.303 324 V C 1.503 177.670 176.094 0.123 0.000 1.041 324 V CA -0.855 61.511 62.300 0.110 0.000 0.907 324 V CB 2.378 34.188 31.823 -0.022 0.000 0.994 324 V HN 0.157 nan 8.190 nan 0.000 0.442 325 K N 1.471 121.953 120.400 0.137 0.000 2.283 325 K HA 0.030 4.349 4.320 -0.000 0.000 0.202 325 K C 0.803 177.494 176.600 0.152 0.000 1.048 325 K CA 1.047 57.415 56.287 0.135 0.000 0.948 325 K CB 0.216 32.796 32.500 0.133 0.000 0.742 325 K HN 0.444 nan 8.250 nan 0.000 0.458 326 S N 0.860 116.661 115.700 0.168 0.000 2.733 326 S HA 0.444 4.914 4.470 -0.000 0.000 0.307 326 S C -0.907 173.777 174.600 0.140 0.000 1.127 326 S CA -0.951 57.412 58.200 0.273 0.000 1.097 326 S CB 0.366 63.843 63.200 0.462 0.000 1.003 326 S HN 0.272 nan 8.310 nan 0.000 0.477 327 I N 4.903 125.548 120.570 0.125 0.000 2.339 327 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 327 I C -0.260 175.858 176.117 0.002 0.000 0.994 327 I CA -0.715 60.549 61.300 -0.061 0.000 1.191 327 I CB 1.244 39.185 38.000 -0.099 0.000 1.343 327 I HN 0.665 nan 8.210 nan 0.000 0.458 328 H N 6.745 125.618 119.070 -0.328 0.000 2.547 328 H HA 0.559 5.115 4.556 -0.000 0.000 0.342 328 H C -1.766 173.339 175.328 -0.372 0.000 1.048 328 H CA -0.767 55.190 56.048 -0.153 0.000 1.204 328 H CB 1.021 30.729 29.762 -0.091 0.000 1.493 328 H HN 0.286 nan 8.280 nan 0.000 0.511 329 F N 2.732 122.468 119.950 -0.356 0.000 2.436 329 F HA 0.183 4.710 4.527 -0.000 0.000 0.340 329 F C 0.267 175.768 175.800 -0.499 0.000 1.113 329 F CA -0.937 56.839 58.000 -0.373 0.000 1.022 329 F CB 1.431 40.348 39.000 -0.139 0.000 1.128 329 F HN 0.566 nan 8.300 nan 0.000 0.466 330 D N 1.617 121.898 120.400 -0.198 0.000 2.517 330 D HA 0.120 4.760 4.640 -0.000 0.000 0.220 330 D C -0.032 176.268 176.300 -0.000 0.000 1.158 330 D CA 0.161 54.105 54.000 -0.094 0.000 0.992 330 D CB 0.261 41.041 40.800 -0.034 0.000 1.058 330 D HN 0.304 nan 8.370 nan 0.000 0.516 331 S N 1.769 117.471 115.700 0.002 0.000 2.815 331 S HA 0.198 4.668 4.470 -0.000 0.000 0.254 331 S C 1.588 176.120 174.600 -0.113 0.000 1.197 331 S CA -0.136 58.049 58.200 -0.025 0.000 1.216 331 S CB 0.365 63.554 63.200 -0.017 0.000 0.871 331 S HN 0.555 nan 8.310 nan 0.000 0.473 332 A N 0.076 122.770 122.820 -0.210 0.000 2.121 332 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 332 A C 1.172 178.371 177.584 -0.641 0.000 1.154 332 A CA 0.552 52.296 52.037 -0.488 0.000 0.679 332 A CB -0.356 18.232 19.000 -0.686 0.000 0.795 332 A HN 0.802 nan 8.150 nan 0.000 0.458 333 W N -0.916 120.320 121.300 -0.106 0.000 2.870 333 W HA 0.317 4.976 4.660 -0.000 0.000 0.358 333 W C 0.139 176.578 176.519 -0.132 0.000 1.043 333 W CA 0.058 57.352 57.345 -0.084 0.000 1.692 333 W CB 0.890 30.301 29.460 -0.081 0.000 1.100 333 W HN 0.108 nan 8.180 nan 0.000 0.557 334 V N -1.523 118.308 119.914 -0.139 0.000 2.464 334 V HA 0.354 4.474 4.120 -0.000 0.000 0.255 334 V C -2.460 173.293 176.094 -0.567 0.000 0.946 334 V CA -1.576 60.343 62.300 -0.635 0.000 0.988 334 V CB 0.508 32.036 31.823 -0.491 0.000 1.210 334 V HN -0.170 nan 8.190 nan 0.000 0.523 335 P HA 0.254 nan 4.420 nan 0.000 0.259 335 P C 0.147 177.552 177.300 0.175 0.000 1.530 335 P CA 0.158 63.261 63.100 0.005 0.000 1.022 335 P CB -0.371 31.423 31.700 0.157 0.000 1.514 336 Y N -3.044 117.273 120.300 0.029 0.000 2.471 336 Y HA 0.232 4.782 4.550 -0.000 0.000 0.249 336 Y C 1.847 177.549 175.900 -0.329 0.000 1.116 336 Y CA 0.108 58.240 58.100 0.055 0.000 1.240 336 Y CB -1.385 37.086 38.460 0.018 0.000 1.251 336 Y HN -0.190 nan 8.280 nan 0.000 0.527 337 T N -1.711 112.434 114.554 -0.682 0.000 2.788 337 T HA -0.208 4.141 4.350 -0.000 0.000 0.268 337 T C 1.424 175.830 174.700 -0.490 0.000 1.044 337 T CA 1.836 63.484 62.100 -0.753 0.000 1.139 337 T CB -0.597 67.909 68.868 -0.604 0.000 0.867 337 T HN 0.347 nan 8.240 nan 0.000 0.454 338 N N 0.130 118.334 118.700 -0.827 0.000 2.515 338 N HA 0.154 4.894 4.740 -0.000 0.000 0.191 338 N C 0.317 175.287 175.510 -0.902 0.000 1.182 338 N CA 0.235 52.748 53.050 -0.895 0.000 0.879 338 N CB -0.283 37.598 38.487 -1.009 0.000 0.984 338 N HN 0.527 nan 8.380 nan 0.000 0.453 339 F N -2.274 117.604 119.950 -0.120 0.000 2.699 339 F HA 0.399 4.926 4.527 -0.000 0.000 0.295 339 F C 1.061 176.856 175.800 -0.008 0.000 1.052 339 F CA -0.507 57.435 58.000 -0.096 0.000 1.239 339 F CB -0.371 38.551 39.000 -0.129 0.000 1.018 339 F HN -0.164 nan 8.300 nan 0.000 0.627 340 S N 3.012 118.846 115.700 0.223 0.000 2.525 340 S HA 0.295 4.765 4.470 -0.000 0.000 0.278 340 S C -1.498 173.181 174.600 0.132 0.000 1.234 340 S CA -1.563 56.767 58.200 0.216 0.000 1.058 340 S CB 1.015 64.434 63.200 0.365 0.000 0.983 340 S HN -0.112 nan 8.310 nan 0.000 0.495 341 P HA -0.015 nan 4.420 nan 0.000 0.230 341 P C 1.175 178.415 177.300 -0.100 0.000 1.158 341 P CA 0.656 63.735 63.100 -0.035 0.000 0.769 341 P CB -0.326 31.348 31.700 -0.043 0.000 0.807 342 I N -5.821 114.642 120.570 -0.179 0.000 3.251 342 I HA 0.008 4.178 4.170 -0.000 0.000 0.277 342 I C 1.113 176.953 176.117 -0.460 0.000 1.268 342 I CA 0.565 61.647 61.300 -0.365 0.000 1.449 342 I CB -0.902 36.792 38.000 -0.510 0.000 1.083 342 I HN -0.247 nan 8.210 nan 0.000 0.464 343 Y N 2.051 122.257 120.300 -0.157 0.000 2.583 343 Y HA 0.351 4.900 4.550 -0.000 0.000 0.294 343 Y C 0.320 176.096 175.900 -0.207 0.000 1.170 343 Y CA -0.502 57.491 58.100 -0.180 0.000 1.265 343 Y CB -0.179 38.202 38.460 -0.131 0.000 1.119 343 Y HN 0.199 nan 8.280 nan 0.000 0.522 344 E N 0.767 120.906 120.200 -0.102 0.000 2.217 344 E HA 0.311 4.660 4.350 -0.000 0.000 0.279 344 E C 0.741 177.251 176.600 -0.150 0.000 1.068 344 E CA 0.315 56.646 56.400 -0.115 0.000 0.882 344 E CB 0.537 30.175 29.700 -0.103 0.000 1.039 344 E HN 0.558 nan 8.360 nan 0.000 0.418 345 G N 3.609 112.330 108.800 -0.132 0.000 2.165 345 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.226 345 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.226 345 G C 0.482 175.295 174.900 -0.144 0.000 1.035 345 G CA 0.194 45.221 45.100 -0.121 0.000 0.744 345 G HN 0.580 nan 8.290 nan 0.000 0.501 346 K N -1.331 118.976 120.400 -0.154 0.000 2.562 346 K HA 0.285 4.605 4.320 -0.000 0.000 0.218 346 K C 1.081 177.592 176.600 -0.148 0.000 1.374 346 K CA 0.548 56.756 56.287 -0.132 0.000 0.996 346 K CB 0.625 33.027 32.500 -0.163 0.000 1.127 346 K HN 0.754 nan 8.250 nan 0.000 0.603 347 C N -2.060 117.114 119.300 -0.210 0.000 2.595 347 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 347 C C 1.864 176.605 174.990 -0.415 0.000 1.219 347 C CA -0.743 58.084 59.018 -0.318 0.000 1.811 347 C CB 0.757 28.326 27.740 -0.284 0.000 2.313 347 C HN 0.375 nan 8.230 nan 0.000 0.499 348 G N 0.408 108.862 108.800 -0.577 0.000 2.509 348 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 348 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 348 G C 1.044 175.831 174.900 -0.188 0.000 1.124 348 G CA 0.573 45.357 45.100 -0.526 0.000 0.776 348 G HN 0.702 nan 8.290 nan 0.000 0.547 349 M N 0.825 120.312 119.600 -0.188 0.000 2.502 349 M HA 0.219 4.699 4.480 -0.000 0.000 0.243 349 M C 1.316 177.529 176.300 -0.144 0.000 1.130 349 M CA -0.120 55.092 55.300 -0.146 0.000 1.055 349 M CB -0.177 32.313 32.600 -0.183 0.000 1.457 349 M HN 0.142 nan 8.290 nan 0.000 0.488 350 S N 0.078 115.685 115.700 -0.156 0.000 2.585 350 S HA 0.456 4.926 4.470 -0.000 0.000 0.273 350 S C 1.322 175.868 174.600 -0.091 0.000 1.339 350 S CA 0.833 58.955 58.200 -0.129 0.000 1.028 350 S CB 0.576 63.696 63.200 -0.134 0.000 0.906 350 S HN 0.734 nan 8.310 nan 0.000 0.528 351 G N 3.263 112.017 108.800 -0.076 0.000 3.377 351 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.304 351 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.304 351 G C 0.671 175.541 174.900 -0.051 0.000 1.366 351 G CA 0.294 45.361 45.100 -0.054 0.000 1.020 351 G HN 1.971 nan 8.290 nan 0.000 0.621 352 G N -1.060 107.713 108.800 -0.043 0.000 2.498 352 G HA2 0.531 4.491 3.960 -0.000 0.000 0.181 352 G HA3 0.531 4.491 3.960 -0.000 0.000 0.181 352 G C -0.559 174.323 174.900 -0.030 0.000 1.169 352 G CA 0.213 45.289 45.100 -0.040 0.000 0.992 352 G HN 0.822 nan 8.290 nan 0.000 0.490 353 R N -0.726 119.758 120.500 -0.027 0.000 2.582 353 R HA 0.552 4.892 4.340 -0.000 0.000 0.271 353 R C -0.656 175.638 176.300 -0.009 0.000 1.078 353 R CA -0.204 55.883 56.100 -0.022 0.000 1.127 353 R CB 1.380 31.666 30.300 -0.023 0.000 1.038 353 R HN 0.254 nan 8.270 nan 0.000 0.500 354 V N 2.006 121.919 119.914 -0.001 0.000 2.540 354 V HA 0.137 4.257 4.120 -0.000 0.000 0.302 354 V C -0.119 175.983 176.094 0.013 0.000 1.035 354 V CA -0.862 61.444 62.300 0.010 0.000 0.873 354 V CB 1.685 33.522 31.823 0.023 0.000 0.992 354 V HN 0.724 nan 8.190 nan 0.000 0.428 355 E N 3.064 123.272 120.200 0.014 0.000 2.498 355 E HA 0.278 4.628 4.350 -0.000 0.000 0.252 355 E C 1.258 177.875 176.600 0.027 0.000 1.025 355 E CA 0.911 57.321 56.400 0.016 0.000 0.938 355 E CB 0.391 30.099 29.700 0.013 0.000 0.947 355 E HN 1.137 nan 8.360 nan 0.000 0.478 356 G N 3.643 112.461 108.800 0.029 0.000 2.166 356 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 356 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 356 G C -0.001 174.933 174.900 0.056 0.000 0.986 356 G CA 0.526 45.650 45.100 0.041 0.000 0.683 356 G HN 0.446 nan 8.290 nan 0.000 0.527 357 K N -0.807 119.622 120.400 0.048 0.000 2.422 357 K HA 0.671 4.991 4.320 -0.000 0.000 0.251 357 K C -0.942 175.678 176.600 0.033 0.000 0.933 357 K CA -0.881 55.441 56.287 0.059 0.000 0.798 357 K CB 3.281 35.818 32.500 0.062 0.000 1.238 357 K HN 0.250 nan 8.250 nan 0.000 0.428 358 V N 4.811 124.749 119.914 0.040 0.000 2.417 358 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 358 V C -1.008 175.029 176.094 -0.096 0.000 1.024 358 V CA -0.799 61.462 62.300 -0.065 0.000 0.861 358 V CB 1.035 32.805 31.823 -0.088 0.000 0.985 358 V HN 0.563 nan 8.190 nan 0.000 0.436 359 I N 7.529 128.009 120.570 -0.148 0.000 2.359 359 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 359 I C -0.542 175.506 176.117 -0.116 0.000 0.987 359 I CA -0.331 60.965 61.300 -0.007 0.000 1.225 359 I CB 1.059 39.121 38.000 0.105 0.000 1.366 359 I HN 0.566 nan 8.210 nan 0.000 0.466 360 Y N 3.459 123.916 120.300 0.263 0.000 2.509 360 Y HA 0.521 5.070 4.550 -0.000 0.000 0.341 360 Y C 0.277 176.406 175.900 0.382 0.000 1.038 360 Y CA -0.667 57.625 58.100 0.320 0.000 1.089 360 Y CB 1.997 40.702 38.460 0.408 0.000 1.241 360 Y HN 0.455 nan 8.280 nan 0.000 0.468 361 E N 1.085 121.586 120.200 0.502 0.000 2.274 361 E HA 0.262 4.612 4.350 -0.000 0.000 0.269 361 E C -1.505 175.274 176.600 0.299 0.000 0.891 361 E CA -0.690 55.930 56.400 0.367 0.000 0.784 361 E CB 1.900 31.772 29.700 0.287 0.000 1.225 361 E HN 0.651 nan 8.360 nan 0.000 0.412 362 T N 0.812 115.518 114.554 0.253 0.000 2.821 362 T HA 0.417 4.767 4.350 -0.000 0.000 0.307 362 T C -0.115 174.597 174.700 0.020 0.000 1.034 362 T CA -0.845 61.341 62.100 0.143 0.000 0.953 362 T CB 1.055 70.049 68.868 0.209 0.000 0.968 362 T HN 0.265 nan 8.240 nan 0.000 0.462 363 Q N 1.856 121.633 119.800 -0.037 0.000 2.274 363 Q HA 0.491 4.831 4.340 -0.000 0.000 0.260 363 Q C -0.468 175.435 176.000 -0.160 0.000 0.974 363 Q CA -0.835 54.912 55.803 -0.093 0.000 0.876 363 Q CB 1.854 30.566 28.738 -0.045 0.000 1.297 363 Q HN 0.621 nan 8.270 nan 0.000 0.446 364 S N 1.539 117.077 115.700 -0.270 0.000 2.411 364 S HA 0.059 4.529 4.470 -0.000 0.000 0.304 364 S C 0.770 175.179 174.600 -0.319 0.000 1.098 364 S CA -0.319 57.642 58.200 -0.398 0.000 1.068 364 S CB 0.485 63.284 63.200 -0.668 0.000 1.032 364 S HN 0.595 nan 8.310 nan 0.000 0.511 365 T N 2.290 116.746 114.554 -0.163 0.000 2.915 365 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 365 T C 0.805 175.514 174.700 0.015 0.000 1.071 365 T CA 1.300 63.390 62.100 -0.017 0.000 1.132 365 T CB -0.371 68.534 68.868 0.062 0.000 0.878 365 T HN 0.866 nan 8.240 nan 0.000 0.479 369 L N 0.493 121.793 121.223 0.128 0.000 2.448 369 L HA 0.665 5.004 4.340 -0.000 0.000 0.258 369 L C 0.586 177.511 176.870 0.092 0.000 1.104 369 L CA -0.502 54.416 54.840 0.131 0.000 0.800 369 L CB 0.910 43.078 42.059 0.182 0.000 1.241 369 L HN 0.020 nan 8.230 nan 0.000 0.472 370 A N 0.957 123.823 122.820 0.076 0.000 2.391 370 A HA 0.707 5.027 4.320 -0.000 0.000 0.316 370 A C -0.193 177.425 177.584 0.057 0.000 1.381 370 A CA -0.042 52.022 52.037 0.045 0.000 0.998 370 A CB -0.296 18.716 19.000 0.020 0.000 1.147 370 A HN 0.745 nan 8.150 nan 0.000 0.545 371 A N 2.004 124.858 122.820 0.057 0.000 2.601 371 A HA 0.725 5.044 4.320 -0.000 0.000 0.291 371 A C -0.820 176.802 177.584 0.065 0.000 1.075 371 A CA -0.689 51.406 52.037 0.097 0.000 0.671 371 A CB 0.365 19.470 19.000 0.175 0.000 1.277 371 A HN 0.540 nan 8.150 nan 0.000 0.417 372 F N 1.365 121.380 119.950 0.109 0.000 2.490 372 F HA 0.342 4.869 4.527 -0.000 0.000 0.336 372 F C 1.554 177.351 175.800 -0.006 0.000 1.178 372 F CA 1.061 59.098 58.000 0.062 0.000 1.301 372 F CB 0.839 39.881 39.000 0.069 0.000 1.175 372 F HN 0.501 nan 8.300 nan 0.000 0.593 373 S N 0.724 116.470 115.700 0.077 0.000 2.584 373 S HA 0.048 4.518 4.470 -0.000 0.000 0.270 373 S C 0.303 174.787 174.600 -0.193 0.000 1.346 373 S CA -0.256 57.733 58.200 -0.352 0.000 1.018 373 S CB 0.688 63.715 63.200 -0.288 0.000 0.899 373 S HN 0.697 nan 8.310 nan 0.000 0.542 374 Q N -1.978 117.649 119.800 -0.289 0.000 2.374 374 Q HA -0.228 4.112 4.340 -0.000 0.000 0.218 374 Q C -0.110 175.941 176.000 0.086 0.000 0.691 374 Q CA 0.808 56.593 55.803 -0.030 0.000 1.340 374 Q CB -1.761 26.954 28.738 -0.039 0.000 1.498 374 Q HN 0.800 nan 8.270 nan 0.000 0.739 375 A N 0.961 123.894 122.820 0.188 0.000 2.309 375 A HA 0.632 4.952 4.320 -0.000 0.000 0.290 375 A C -0.017 177.664 177.584 0.162 0.000 1.206 375 A CA 0.362 52.510 52.037 0.186 0.000 0.850 375 A CB 1.440 20.568 19.000 0.213 0.000 1.118 375 A HN 0.158 nan 8.150 nan 0.000 0.523 376 S N 2.106 117.854 115.700 0.080 0.000 2.564 376 S HA 0.785 5.255 4.470 -0.000 0.000 0.274 376 S C -0.755 173.831 174.600 -0.023 0.000 1.124 376 S CA -0.626 57.582 58.200 0.013 0.000 0.869 376 S CB 0.909 64.114 63.200 0.008 0.000 1.105 376 S HN 0.653 nan 8.310 nan 0.000 0.472 377 M N 3.218 122.749 119.600 -0.114 0.000 2.456 377 M HA 0.557 5.036 4.480 -0.000 0.000 0.324 377 M C -1.188 174.957 176.300 -0.257 0.000 1.124 377 M CA -0.458 54.683 55.300 -0.264 0.000 0.959 377 M CB 1.917 34.185 32.600 -0.553 0.000 1.692 377 M HN 0.483 nan 8.290 nan 0.000 0.444 378 I N 3.108 123.565 120.570 -0.189 0.000 2.390 378 I HA 0.276 4.446 4.170 -0.000 0.000 0.283 378 I C -0.671 175.392 176.117 -0.090 0.000 1.016 378 I CA -0.676 60.620 61.300 -0.008 0.000 1.151 378 I CB 0.596 38.743 38.000 0.246 0.000 1.293 378 I HN 0.536 nan 8.210 nan 0.000 0.458 379 H N 5.938 125.088 119.070 0.133 0.000 2.552 379 H HA 0.398 4.954 4.556 -0.000 0.000 0.311 379 H C -0.544 174.817 175.328 0.056 0.000 1.071 379 H CA -0.497 55.586 56.048 0.058 0.000 1.307 379 H CB 1.982 31.752 29.762 0.013 0.000 1.416 379 H HN 0.192 nan 8.280 nan 0.000 0.464 380 V N 4.279 124.231 119.914 0.064 0.000 2.370 380 V HA 0.137 4.256 4.120 -0.000 0.000 0.283 380 V C 0.364 176.377 176.094 -0.136 0.000 1.023 380 V CA -0.809 61.406 62.300 -0.143 0.000 0.857 380 V CB 1.550 33.222 31.823 -0.252 0.000 0.985 380 V HN 0.506 nan 8.190 nan 0.000 0.443 381 K N 3.792 124.090 120.400 -0.170 0.000 2.478 381 K HA 0.723 5.043 4.320 -0.000 0.000 0.236 381 K C -0.074 176.445 176.600 -0.136 0.000 1.021 381 K CA 0.466 56.685 56.287 -0.114 0.000 1.010 381 K CB 0.692 33.156 32.500 -0.060 0.000 1.331 381 K HN 1.051 nan 8.250 nan 0.000 0.470 382 G N 1.679 110.402 108.800 -0.127 0.000 2.362 382 G HA2 0.027 3.987 3.960 -0.000 0.000 0.288 382 G HA3 0.027 3.987 3.960 -0.000 0.000 0.288 382 G C -1.837 173.008 174.900 -0.091 0.000 1.305 382 G CA -1.010 44.031 45.100 -0.098 0.000 0.910 382 G HN 0.327 nan 8.290 nan 0.000 0.518 383 D N 0.804 121.177 120.400 -0.046 0.000 2.249 383 D HA 0.527 5.167 4.640 -0.000 0.000 0.246 383 D C 0.454 176.762 176.300 0.013 0.000 1.114 383 D CA 0.206 54.194 54.000 -0.020 0.000 0.854 383 D CB 1.768 42.570 40.800 0.004 0.000 1.132 383 D HN 0.942 nan 8.370 nan 0.000 0.461 384 V N 0.237 120.153 119.914 0.003 0.000 3.007 384 V HA 0.470 4.590 4.120 -0.000 0.000 0.311 384 V C -0.017 176.132 176.094 0.092 0.000 1.120 384 V CA -1.216 61.130 62.300 0.076 0.000 0.980 384 V CB 2.277 34.051 31.823 -0.081 0.000 1.033 384 V HN 0.301 nan 8.190 nan 0.000 0.429 385 N N 1.783 120.619 118.700 0.227 0.000 2.399 385 N HA 0.148 4.888 4.740 -0.000 0.000 0.259 385 N C 0.847 176.446 175.510 0.148 0.000 1.160 385 N CA 0.383 53.549 53.050 0.194 0.000 0.946 385 N CB 1.194 39.839 38.487 0.263 0.000 1.156 385 N HN 0.908 nan 8.380 nan 0.000 0.489 386 E N 2.263 122.513 120.200 0.083 0.000 2.150 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 386 E C 0.674 177.339 176.600 0.107 0.000 0.985 386 E CA 1.067 57.512 56.400 0.074 0.000 0.814 386 E CB 0.323 30.041 29.700 0.030 0.000 0.752 386 E HN 0.679 nan 8.360 nan 0.000 0.466 387 E N -0.478 119.785 120.200 0.106 0.000 2.216 387 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 387 E C 1.676 178.350 176.600 0.124 0.000 0.988 387 E CA 1.065 57.527 56.400 0.104 0.000 0.834 387 E CB 0.240 29.990 29.700 0.083 0.000 0.772 387 E HN 0.149 nan 8.360 nan 0.000 0.479 388 T N 0.112 114.771 114.554 0.176 0.000 3.010 388 T HA -0.006 4.344 4.350 -0.000 0.000 0.252 388 T C 1.373 176.207 174.700 0.223 0.000 1.047 388 T CA 0.099 62.337 62.100 0.229 0.000 1.140 388 T CB -0.165 68.904 68.868 0.334 0.000 0.885 388 T HN 0.102 nan 8.240 nan 0.000 0.464 389 F N 2.776 122.687 119.950 -0.065 0.000 2.186 389 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 389 F C 2.108 177.777 175.800 -0.219 0.000 1.090 389 F CA 0.806 58.569 58.000 -0.395 0.000 1.307 389 F CB -0.171 38.435 39.000 -0.657 0.000 1.019 389 F HN 0.041 nan 8.300 nan 0.000 0.489 390 N N 0.325 119.065 118.700 0.067 0.000 2.309 390 N HA -0.168 4.572 4.740 -0.000 0.000 0.182 390 N C 1.732 177.313 175.510 0.119 0.000 1.018 390 N CA 1.214 54.340 53.050 0.126 0.000 0.876 390 N CB -0.193 38.409 38.487 0.192 0.000 0.972 390 N HN 0.263 nan 8.380 nan 0.000 0.434 391 E N 0.154 120.388 120.200 0.056 0.000 2.051 391 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 391 E C 1.787 178.373 176.600 -0.024 0.000 0.991 391 E CA 1.200 57.617 56.400 0.028 0.000 0.799 391 E CB -0.461 29.260 29.700 0.034 0.000 0.748 391 E HN 0.476 nan 8.360 nan 0.000 0.449 392 A N 0.302 123.071 122.820 -0.085 0.000 2.015 392 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 392 A C 2.030 179.543 177.584 -0.118 0.000 1.163 392 A CA 1.109 53.068 52.037 -0.131 0.000 0.646 392 A CB -0.648 18.209 19.000 -0.238 0.000 0.806 392 A HN 0.365 nan 8.150 nan 0.000 0.448 393 Y N -0.257 119.865 120.300 -0.298 0.000 2.220 393 Y HA -0.091 4.459 4.550 -0.000 0.000 0.291 393 Y C 2.258 178.117 175.900 -0.068 0.000 1.129 393 Y CA 1.985 59.961 58.100 -0.207 0.000 1.161 393 Y CB -0.164 38.180 38.460 -0.194 0.000 0.997 393 Y HN 0.247 nan 8.280 nan 0.000 0.522 394 M N -0.694 118.901 119.600 -0.009 0.000 2.319 394 M HA -0.173 4.307 4.480 -0.000 0.000 0.265 394 M C 1.949 178.163 176.300 -0.142 0.000 1.068 394 M CA 1.410 56.661 55.300 -0.082 0.000 1.118 394 M CB -0.148 32.457 32.600 0.008 0.000 1.395 394 M HN 0.349 nan 8.290 nan 0.000 0.435 395 M N -1.182 118.325 119.600 -0.154 0.000 2.460 395 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 395 M C 1.367 177.404 176.300 -0.438 0.000 1.071 395 M CA 1.067 56.207 55.300 -0.267 0.000 1.096 395 M CB -0.122 32.306 32.600 -0.287 0.000 1.408 395 M HN 0.259 nan 8.290 nan 0.000 0.463 396 H N -2.154 116.806 119.070 -0.185 0.000 3.205 396 H HA 0.254 4.810 4.556 -0.000 0.000 0.252 396 H C 0.148 175.347 175.328 -0.216 0.000 1.015 396 H CA 0.363 56.302 56.048 -0.182 0.000 1.192 396 H CB 0.664 30.317 29.762 -0.183 0.000 1.474 396 H HN 0.116 nan 8.280 nan 0.000 0.484 397 T N 1.262 115.688 114.554 -0.213 0.000 2.837 397 T HA 0.169 4.519 4.350 -0.000 0.000 0.285 397 T C 0.574 175.161 174.700 -0.188 0.000 0.984 397 T CA -0.220 61.719 62.100 -0.269 0.000 1.049 397 T CB 2.499 71.039 68.868 -0.546 0.000 0.947 397 T HN 0.054 nan 8.240 nan 0.000 0.472 398 T N 1.263 115.736 114.554 -0.136 0.000 2.813 398 T HA 0.124 4.474 4.350 -0.000 0.000 0.297 398 T C 1.837 176.478 174.700 -0.099 0.000 1.036 398 T CA 0.190 62.232 62.100 -0.097 0.000 1.044 398 T CB 0.346 69.175 68.868 -0.064 0.000 0.993 398 T HN 0.793 nan 8.240 nan 0.000 0.535 399 T N 0.302 114.812 114.554 -0.073 0.000 2.857 399 T HA 0.077 4.427 4.350 -0.000 0.000 0.266 399 T C 0.856 175.522 174.700 -0.057 0.000 1.048 399 T CA 0.371 62.432 62.100 -0.065 0.000 1.139 399 T CB 0.045 68.885 68.868 -0.046 0.000 0.874 399 T HN 0.370 nan 8.240 nan 0.000 0.455 400 S N 3.662 119.340 115.700 -0.037 0.000 2.528 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.303 400 S C -2.537 172.051 174.600 -0.020 0.000 1.123 400 S CA -1.136 57.059 58.200 -0.009 0.000 1.138 400 S CB 1.166 64.382 63.200 0.027 0.000 0.984 400 S HN 0.431 nan 8.310 nan 0.000 0.474 401 P HA 0.205 nan 4.420 nan 0.000 0.284 401 P C -0.732 176.522 177.300 -0.078 0.000 1.258 401 P CA -0.559 62.474 63.100 -0.111 0.000 0.824 401 P CB 0.516 32.087 31.700 -0.215 0.000 1.038 402 H N 2.341 121.364 119.070 -0.078 0.000 3.086 402 H HA 0.033 4.589 4.556 -0.000 0.000 0.265 402 H C 0.312 175.623 175.328 -0.028 0.000 1.092 402 H CA 0.332 56.372 56.048 -0.014 0.000 1.487 402 H CB 0.159 29.898 29.762 -0.040 0.000 1.514 402 H HN 0.377 nan 8.280 nan 0.000 0.497 403 Y N 3.192 123.369 120.300 -0.205 0.000 2.403 403 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 403 Y C 2.520 178.376 175.900 -0.074 0.000 1.143 403 Y CA 1.260 59.307 58.100 -0.088 0.000 1.257 403 Y CB 0.032 38.448 38.460 -0.074 0.000 0.984 403 Y HN 0.765 nan 8.280 nan 0.000 0.550 404 G N -0.022 108.717 108.800 -0.102 0.000 2.408 404 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 404 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 404 G C 1.637 176.592 174.900 0.091 0.000 1.150 404 G CA 1.103 46.190 45.100 -0.021 0.000 0.776 404 G HN 0.419 nan 8.290 nan 0.000 0.542 405 I N 0.470 121.175 120.570 0.225 0.000 2.353 405 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 405 I C 2.702 178.917 176.117 0.165 0.000 1.119 405 I CA 0.337 61.744 61.300 0.179 0.000 1.417 405 I CB -0.196 37.881 38.000 0.129 0.000 1.078 405 I HN 0.012 nan 8.210 nan 0.000 0.421 406 V N 1.191 121.176 119.914 0.119 0.000 2.343 406 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 406 V C 2.751 178.915 176.094 0.116 0.000 1.051 406 V CA 2.005 64.363 62.300 0.096 0.000 1.036 406 V CB -1.130 30.714 31.823 0.034 0.000 0.654 406 V HN 0.483 nan 8.190 nan 0.000 0.451 407 A N 0.971 123.873 122.820 0.137 0.000 1.930 407 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 407 A C 2.550 180.229 177.584 0.159 0.000 1.175 407 A CA 2.147 54.261 52.037 0.128 0.000 0.627 407 A CB -0.756 18.344 19.000 0.166 0.000 0.815 407 A HN 0.683 nan 8.150 nan 0.000 0.443 408 S N -0.537 115.310 115.700 0.244 0.000 2.382 408 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 408 S C 1.815 176.537 174.600 0.203 0.000 1.027 408 S CA 1.887 60.255 58.200 0.281 0.000 0.991 408 S CB -1.230 62.254 63.200 0.473 0.000 0.823 408 S HN 0.510 nan 8.310 nan 0.000 0.469 409 T N 1.908 116.571 114.554 0.181 0.000 2.746 409 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 409 T C 1.767 176.560 174.700 0.154 0.000 1.039 409 T CA 1.495 63.684 62.100 0.148 0.000 1.142 409 T CB -0.372 68.569 68.868 0.120 0.000 0.866 409 T HN 0.609 nan 8.240 nan 0.000 0.444 410 E N 0.506 120.791 120.200 0.143 0.000 2.107 410 E HA -0.114 4.235 4.350 -0.000 0.000 0.191 410 E C 2.091 178.787 176.600 0.160 0.000 0.982 410 E CA 1.110 57.603 56.400 0.156 0.000 0.809 410 E CB -0.004 29.744 29.700 0.079 0.000 0.756 410 E HN 0.420 nan 8.360 nan 0.000 0.459 411 T N 0.663 115.281 114.554 0.107 0.000 2.821 411 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 411 T C 1.867 176.633 174.700 0.110 0.000 1.046 411 T CA 1.050 63.195 62.100 0.075 0.000 1.139 411 T CB -0.179 68.725 68.868 0.060 0.000 0.871 411 T HN 0.259 nan 8.240 nan 0.000 0.454 412 A N 1.419 124.327 122.820 0.146 0.000 1.972 412 A HA 0.185 4.505 4.320 -0.000 0.000 0.219 412 A C 2.611 180.305 177.584 0.183 0.000 1.169 412 A CA 1.673 53.802 52.037 0.153 0.000 0.635 412 A CB -0.940 18.172 19.000 0.186 0.000 0.810 412 A HN 0.513 nan 8.150 nan 0.000 0.446 413 A N -0.296 122.699 122.820 0.291 0.000 1.929 413 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 413 A C 2.422 180.094 177.584 0.146 0.000 1.176 413 A CA 1.689 53.921 52.037 0.325 0.000 0.628 413 A CB -0.809 18.473 19.000 0.469 0.000 0.816 413 A HN 0.993 nan 8.150 nan 0.000 0.444 414 A N -0.706 122.276 122.820 0.271 0.000 2.015 414 A HA 0.009 4.328 4.320 -0.000 0.000 0.219 414 A C 2.071 179.679 177.584 0.040 0.000 1.163 414 A CA 1.403 53.581 52.037 0.235 0.000 0.646 414 A CB -0.511 18.580 19.000 0.152 0.000 0.806 414 A HN 0.503 nan 8.150 nan 0.000 0.448 415 M N -0.891 118.704 119.600 -0.007 0.000 2.630 415 M HA 0.003 4.483 4.480 -0.000 0.000 0.254 415 M C 1.298 177.490 176.300 -0.181 0.000 1.092 415 M CA 0.697 55.958 55.300 -0.065 0.000 1.087 415 M CB -0.061 32.517 32.600 -0.037 0.000 1.453 415 M HN 0.351 nan 8.290 nan 0.000 0.509 416 M N -1.125 118.289 119.600 -0.310 0.000 2.571 416 M HA 0.168 4.648 4.480 -0.000 0.000 0.259 416 M C 0.695 176.743 176.300 -0.420 0.000 1.205 416 M CA 0.412 55.336 55.300 -0.627 0.000 1.138 416 M CB -0.372 31.357 32.600 -1.452 0.000 1.329 416 M HN -0.009 nan 8.290 nan 0.000 0.503 417 K N 1.453 121.710 120.400 -0.238 0.000 2.350 417 K HA 0.395 4.714 4.320 -0.000 0.000 0.279 417 K C 0.429 176.991 176.600 -0.064 0.000 1.027 417 K CA 0.803 57.015 56.287 -0.124 0.000 0.969 417 K CB 0.504 32.967 32.500 -0.060 0.000 0.954 417 K HN 0.349 nan 8.250 nan 0.000 0.474 418 G N 2.701 111.477 108.800 -0.039 0.000 2.796 418 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.571 418 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.571 418 G C 0.123 175.012 174.900 -0.020 0.000 1.370 418 G CA -0.278 44.814 45.100 -0.014 0.000 0.856 418 G HN 0.722 nan 8.290 nan 0.000 0.538 419 N N 0.066 118.763 118.700 -0.004 0.000 2.331 419 N HA 0.008 4.747 4.740 -0.000 0.000 0.180 419 N C 2.586 178.092 175.510 -0.007 0.000 1.019 419 N CA 1.771 54.819 53.050 -0.004 0.000 0.881 419 N CB -0.415 38.073 38.487 0.003 0.000 0.972 419 N HN 0.994 nan 8.380 nan 0.000 0.435 420 A N 0.474 123.292 122.820 -0.003 0.000 1.969 420 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 420 A C 2.301 179.868 177.584 -0.029 0.000 1.169 420 A CA 1.706 53.742 52.037 -0.002 0.000 0.635 420 A CB -0.807 18.204 19.000 0.020 0.000 0.810 420 A HN 0.342 nan 8.150 nan 0.000 0.445 421 G N -0.475 108.289 108.800 -0.059 0.000 2.411 421 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.213 421 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.213 421 G C 1.623 176.454 174.900 -0.115 0.000 1.166 421 G CA 0.735 45.760 45.100 -0.124 0.000 0.802 421 G HN 0.533 nan 8.290 nan 0.000 0.533 422 K N 0.155 120.517 120.400 -0.064 0.000 2.148 422 K HA 0.026 4.345 4.320 -0.000 0.000 0.204 422 K C 2.574 179.174 176.600 -0.000 0.000 1.050 422 K CA 0.548 56.826 56.287 -0.015 0.000 0.942 422 K CB -0.078 32.427 32.500 0.007 0.000 0.724 422 K HN 0.126 nan 8.250 nan 0.000 0.446 423 R N 0.567 121.062 120.500 -0.009 0.000 2.189 423 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 423 R C 2.132 178.432 176.300 -0.000 0.000 1.074 423 R CA 0.589 56.688 56.100 -0.001 0.000 0.991 423 R CB -0.130 30.170 30.300 -0.001 0.000 0.883 423 R HN 0.158 nan 8.270 nan 0.000 0.457 424 L N -0.022 121.193 121.223 -0.013 0.000 2.056 424 L HA -0.175 4.164 4.340 -0.000 0.000 0.207 424 L C 1.920 178.792 176.870 0.003 0.000 1.078 424 L CA 1.218 56.052 54.840 -0.010 0.000 0.749 424 L CB -0.176 41.863 42.059 -0.033 0.000 0.901 424 L HN 0.110 nan 8.230 nan 0.000 0.433 425 I N -0.391 120.187 120.570 0.014 0.000 2.235 425 I HA -0.219 3.951 4.170 -0.000 0.000 0.241 425 I C 1.990 178.134 176.117 0.046 0.000 1.085 425 I CA 1.451 62.778 61.300 0.046 0.000 1.378 425 I CB -0.535 37.544 38.000 0.131 0.000 1.076 425 I HN 0.171 nan 8.210 nan 0.000 0.415 426 N N 0.479 119.206 118.700 0.045 0.000 2.205 426 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 426 N C 1.963 177.481 175.510 0.013 0.000 1.015 426 N CA 1.158 54.224 53.050 0.026 0.000 0.862 426 N CB -0.295 38.203 38.487 0.019 0.000 0.986 426 N HN 0.457 nan 8.380 nan 0.000 0.429 427 G N 0.200 109.009 108.800 0.015 0.000 2.394 427 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.215 427 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.215 427 G C 1.613 176.528 174.900 0.026 0.000 1.165 427 G CA 0.923 46.034 45.100 0.018 0.000 0.784 427 G HN 0.429 nan 8.290 nan 0.000 0.535 428 S N 0.391 116.107 115.700 0.027 0.000 2.428 428 S HA 0.058 4.528 4.470 -0.000 0.000 0.230 428 S C 2.266 176.876 174.600 0.016 0.000 1.014 428 S CA 0.703 58.930 58.200 0.045 0.000 0.957 428 S CB -0.250 62.968 63.200 0.030 0.000 0.784 428 S HN 0.336 nan 8.310 nan 0.000 0.499 429 I N 1.753 122.318 120.570 -0.009 0.000 2.286 429 I HA -0.072 4.097 4.170 -0.000 0.000 0.245 429 I C 2.784 178.874 176.117 -0.044 0.000 1.104 429 I CA 1.289 62.567 61.300 -0.036 0.000 1.397 429 I CB -0.333 37.645 38.000 -0.036 0.000 1.072 429 I HN 0.307 nan 8.210 nan 0.000 0.417 430 E N 0.618 120.805 120.200 -0.022 0.000 2.204 430 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 430 E C 2.289 178.880 176.600 -0.016 0.000 0.989 430 E CA 0.690 57.082 56.400 -0.013 0.000 0.824 430 E CB 0.040 29.740 29.700 -0.000 0.000 0.756 430 E HN 0.403 nan 8.360 nan 0.000 0.477 431 R N 0.113 120.605 120.500 -0.014 0.000 2.115 431 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 431 R C 2.224 178.399 176.300 -0.209 0.000 1.100 431 R CA 0.938 57.037 56.100 -0.002 0.000 0.980 431 R CB -0.053 30.316 30.300 0.115 0.000 0.875 431 R HN 0.064 nan 8.270 nan 0.000 0.445 432 A N 1.012 123.597 122.820 -0.392 0.000 1.898 432 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 432 A C 2.071 179.492 177.584 -0.272 0.000 1.183 432 A CA 0.793 52.361 52.037 -0.781 0.000 0.622 432 A CB -0.255 18.409 19.000 -0.560 0.000 0.824 432 A HN 0.121 nan 8.150 nan 0.000 0.444 433 I N -0.506 120.014 120.570 -0.083 0.000 2.252 433 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 433 I C 2.520 178.643 176.117 0.009 0.000 1.102 433 I CA 1.654 62.979 61.300 0.042 0.000 1.385 433 I CB -0.172 37.885 38.000 0.095 0.000 1.064 433 I HN 0.328 nan 8.210 nan 0.000 0.414 434 K N 0.674 121.073 120.400 -0.003 0.000 2.147 434 K HA -0.220 4.099 4.320 -0.000 0.000 0.205 434 K C 2.184 178.801 176.600 0.028 0.000 1.049 434 K CA 1.445 57.739 56.287 0.012 0.000 0.936 434 K CB -0.129 32.388 32.500 0.027 0.000 0.722 434 K HN 0.181 nan 8.250 nan 0.000 0.446 435 F N 1.365 121.238 119.950 -0.128 0.000 2.186 435 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 435 F C 2.062 177.823 175.800 -0.065 0.000 1.090 435 F CA 1.269 59.212 58.000 -0.094 0.000 1.307 435 F CB 0.112 39.005 39.000 -0.177 0.000 1.019 435 F HN -0.080 nan 8.300 nan 0.000 0.489 436 R N 0.366 120.842 120.500 -0.040 0.000 2.092 436 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 436 R C 2.168 178.378 176.300 -0.150 0.000 1.119 436 R CA 1.642 57.684 56.100 -0.097 0.000 0.970 436 R CB -0.268 30.012 30.300 -0.034 0.000 0.864 436 R HN 0.263 nan 8.270 nan 0.000 0.440 437 K N 0.475 120.806 120.400 -0.116 0.000 2.097 437 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 437 K C 1.908 178.434 176.600 -0.123 0.000 1.050 437 K CA 1.257 57.478 56.287 -0.110 0.000 0.938 437 K CB 0.056 32.514 32.500 -0.071 0.000 0.718 437 K HN 0.241 nan 8.250 nan 0.000 0.442 438 E N 0.559 120.671 120.200 -0.147 0.000 2.106 438 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 438 E C 1.948 178.453 176.600 -0.158 0.000 0.984 438 E CA 0.711 57.021 56.400 -0.149 0.000 0.806 438 E CB 0.091 29.707 29.700 -0.140 0.000 0.750 438 E HN 0.183 nan 8.360 nan 0.000 0.458 439 I N 1.353 121.796 120.570 -0.212 0.000 2.179 439 I HA -0.238 3.931 4.170 -0.000 0.000 0.242 439 I C 2.119 178.267 176.117 0.052 0.000 1.088 439 I CA 1.286 62.576 61.300 -0.017 0.000 1.357 439 I CB -0.826 37.100 38.000 -0.124 0.000 1.051 439 I HN 0.049 nan 8.210 nan 0.000 0.409 440 K N 0.498 120.868 120.400 -0.050 0.000 2.097 440 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 440 K C 2.140 178.679 176.600 -0.103 0.000 1.049 440 K CA 0.886 57.135 56.287 -0.063 0.000 0.933 440 K CB -0.364 32.069 32.500 -0.111 0.000 0.717 440 K HN 0.309 nan 8.250 nan 0.000 0.442 441 R N 0.914 121.340 120.500 -0.124 0.000 2.092 441 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 441 R C 2.251 178.426 176.300 -0.209 0.000 1.119 441 R CA 0.816 56.832 56.100 -0.141 0.000 0.970 441 R CB -0.114 30.114 30.300 -0.119 0.000 0.864 441 R HN 0.082 nan 8.270 nan 0.000 0.440 442 L N 0.122 121.172 121.223 -0.288 0.000 2.376 442 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 442 L C 2.667 179.031 176.870 -0.843 0.000 1.133 442 L CA 0.622 55.124 54.840 -0.563 0.000 0.816 442 L CB -0.245 41.414 42.059 -0.666 0.000 0.933 442 L HN 0.208 nan 8.230 nan 0.000 0.449 443 R N -0.264 119.947 120.500 -0.482 0.000 2.073 443 R HA -0.119 4.220 4.340 -0.000 0.000 0.229 443 R C 2.002 178.189 176.300 -0.187 0.000 1.120 443 R CA 1.821 57.779 56.100 -0.237 0.000 0.967 443 R CB -0.084 30.250 30.300 0.056 0.000 0.862 443 R HN 0.220 nan 8.270 nan 0.000 0.436 444 T N 0.127 114.580 114.554 -0.168 0.000 2.985 444 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 444 T C 1.203 175.814 174.700 -0.147 0.000 1.076 444 T CA 1.025 63.049 62.100 -0.126 0.000 1.135 444 T CB 0.070 68.877 68.868 -0.102 0.000 0.890 444 T HN 0.400 nan 8.240 nan 0.000 0.480 445 E N 0.922 121.000 120.200 -0.204 0.000 2.216 445 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 445 E C 0.600 177.075 176.600 -0.210 0.000 0.973 445 E CA -0.003 56.284 56.400 -0.189 0.000 0.851 445 E CB 0.296 29.883 29.700 -0.189 0.000 0.804 445 E HN 0.233 nan 8.360 nan 0.000 0.477 446 S N 1.266 116.783 115.700 -0.306 0.000 2.585 446 S HA 0.038 4.508 4.470 -0.000 0.000 0.273 446 S C -0.215 174.274 174.600 -0.185 0.000 1.339 446 S CA -0.353 57.675 58.200 -0.288 0.000 1.028 446 S CB 0.788 63.716 63.200 -0.453 0.000 0.906 446 S HN 0.087 nan 8.310 nan 0.000 0.528 447 D N 0.553 120.863 120.400 -0.151 0.000 2.380 447 D HA 0.528 5.167 4.640 -0.000 0.000 0.230 447 D C 0.711 176.946 176.300 -0.109 0.000 1.154 447 D CA 1.259 55.195 54.000 -0.106 0.000 0.859 447 D CB -0.150 40.601 40.800 -0.081 0.000 1.045 447 D HN 0.683 nan 8.370 nan 0.000 0.495 448 G N 3.341 112.099 108.800 -0.071 0.000 2.516 448 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 448 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 448 G C -0.407 174.507 174.900 0.024 0.000 1.165 448 G CA -0.274 44.812 45.100 -0.023 0.000 1.013 448 G HN 0.567 nan 8.290 nan 0.000 0.590 449 W N 0.296 121.594 121.300 -0.004 0.000 2.237 449 W HA 0.775 5.435 4.660 -0.000 0.000 0.335 449 W C -0.722 175.856 176.519 0.099 0.000 1.230 449 W CA -0.992 56.369 57.345 0.027 0.000 1.253 449 W CB 0.418 29.898 29.460 0.032 0.000 1.129 449 W HN 0.692 nan 8.180 nan 0.000 0.590 450 F N 1.096 121.059 119.950 0.022 0.000 2.693 450 F HA 0.432 4.958 4.527 -0.000 0.000 0.309 450 F C -0.846 174.945 175.800 -0.014 0.000 1.129 450 F CA -1.364 56.517 58.000 -0.198 0.000 0.948 450 F CB 1.306 40.211 39.000 -0.159 0.000 1.315 450 F HN 0.195 nan 8.300 nan 0.000 0.447 451 F N 1.985 121.674 119.950 -0.435 0.000 2.496 451 F HA 0.287 4.813 4.527 -0.000 0.000 0.344 451 F C 0.106 175.924 175.800 0.031 0.000 1.155 451 F CA 0.260 58.154 58.000 -0.176 0.000 1.302 451 F CB 0.266 39.058 39.000 -0.345 0.000 1.159 451 F HN 0.284 nan 8.300 nan 0.000 0.595 452 D N 0.348 120.899 120.400 0.252 0.000 2.780 452 D HA 0.435 5.075 4.640 -0.000 0.000 0.242 452 D C -1.328 175.068 176.300 0.160 0.000 1.135 452 D CA -0.389 53.720 54.000 0.182 0.000 0.859 452 D CB 1.855 42.743 40.800 0.147 0.000 1.530 452 D HN 0.191 nan 8.370 nan 0.000 0.493 453 V N 3.539 123.518 119.914 0.109 0.000 2.530 453 V HA 0.096 4.216 4.120 -0.000 0.000 0.282 453 V C 0.120 176.295 176.094 0.135 0.000 1.048 453 V CA -0.620 61.751 62.300 0.118 0.000 0.997 453 V CB 1.029 32.872 31.823 0.033 0.000 0.987 453 V HN 0.651 nan 8.190 nan 0.000 0.477 454 W N 7.210 128.532 121.300 0.036 0.000 2.160 454 W HA 0.373 5.033 4.660 -0.000 0.000 0.464 454 W C 0.439 176.994 176.519 0.061 0.000 0.914 454 W CA -0.144 57.267 57.345 0.109 0.000 1.742 454 W CB -0.334 29.207 29.460 0.135 0.000 1.780 454 W HN 0.751 nan 8.180 nan 0.000 0.307 455 Q N 4.137 123.653 119.800 -0.473 0.000 2.630 455 Q HA 0.572 4.912 4.340 -0.000 0.000 0.295 455 Q C -2.943 172.103 176.000 -1.589 0.000 0.944 455 Q CA -2.413 52.689 55.803 -1.169 0.000 0.766 455 Q CB 2.083 30.363 28.738 -0.763 0.000 1.471 455 Q HN -0.088 nan 8.270 nan 0.000 0.416 456 P HA 0.035 nan 4.420 nan 0.000 0.270 456 P C -0.312 176.515 177.300 -0.788 0.000 1.223 456 P CA -0.053 62.194 63.100 -1.422 0.000 0.785 456 P CB 0.468 31.563 31.700 -1.008 0.000 0.923 457 D N -1.013 119.076 120.400 -0.518 0.000 2.224 457 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 457 D C 0.218 176.140 176.300 -0.629 0.000 0.965 457 D CA 1.545 55.248 54.000 -0.495 0.000 0.852 457 D CB -0.094 40.450 40.800 -0.427 0.000 0.947 457 D HN 0.476 nan 8.370 nan 0.000 0.494 458 H N 0.466 119.367 119.070 -0.282 0.000 2.725 458 H HA 0.291 4.847 4.556 -0.000 0.000 0.283 458 H C 0.489 175.630 175.328 -0.312 0.000 1.110 458 H CA -0.252 55.660 56.048 -0.227 0.000 1.289 458 H CB 0.563 30.247 29.762 -0.129 0.000 1.400 458 H HN 0.063 nan 8.280 nan 0.000 0.493 459 I N -0.668 119.738 120.570 -0.274 0.000 3.626 459 I HA 0.153 4.323 4.170 -0.000 0.000 0.345 459 I C 0.461 176.574 176.117 -0.006 0.000 1.502 459 I CA -0.562 60.523 61.300 -0.359 0.000 1.135 459 I CB -0.056 37.532 38.000 -0.685 0.000 1.456 459 I HN 0.147 nan 8.210 nan 0.000 0.460 460 D N -0.412 120.015 120.400 0.045 0.000 2.312 460 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 460 D C 1.069 177.433 176.300 0.106 0.000 0.964 460 D CA 0.627 54.666 54.000 0.066 0.000 0.877 460 D CB -0.045 40.781 40.800 0.044 0.000 0.924 460 D HN 0.366 nan 8.370 nan 0.000 0.515 461 T N -0.438 114.231 114.554 0.192 0.000 2.824 461 T HA 0.343 4.692 4.350 -0.000 0.000 0.280 461 T C -0.402 174.405 174.700 0.177 0.000 0.995 461 T CA -0.758 61.437 62.100 0.159 0.000 1.009 461 T CB 1.149 70.092 68.868 0.125 0.000 0.955 461 T HN -0.071 nan 8.240 nan 0.000 0.452 462 T N 5.925 120.495 114.554 0.027 0.000 2.987 462 T HA 0.366 4.716 4.350 -0.000 0.000 0.288 462 T C -0.194 174.357 174.700 -0.248 0.000 0.981 462 T CA -0.104 61.940 62.100 -0.092 0.000 1.031 462 T CB -0.390 68.433 68.868 -0.075 0.000 0.976 462 T HN 0.677 nan 8.240 nan 0.000 0.612 463 E N 1.296 121.194 120.200 -0.503 0.000 2.401 463 E HA 0.212 4.562 4.350 -0.000 0.000 0.280 463 E C -1.144 174.867 176.600 -0.982 0.000 1.039 463 E CA -0.868 55.185 56.400 -0.579 0.000 0.814 463 E CB 1.319 30.827 29.700 -0.320 0.000 1.275 463 E HN 0.418 nan 8.360 nan 0.000 0.448 464 C N 3.666 122.552 119.300 -0.690 0.000 2.595 464 C HA 0.200 4.660 4.460 -0.000 0.000 0.374 464 C C 0.147 175.026 174.990 -0.185 0.000 1.250 464 C CA -0.602 58.104 59.018 -0.520 0.000 1.595 464 C CB -1.724 25.789 27.740 -0.377 0.000 2.257 464 C HN 0.333 nan 8.230 nan 0.000 0.568 465 W N 5.132 126.479 121.300 0.078 0.000 2.469 465 W HA 0.202 4.862 4.660 -0.000 0.000 0.321 465 W C -2.088 174.548 176.519 0.196 0.000 1.415 465 W CA -2.113 55.290 57.345 0.097 0.000 1.308 465 W CB -0.422 29.029 29.460 -0.016 0.000 1.368 465 W HN 0.450 nan 8.180 nan 0.000 0.546 466 P HA 0.117 nan 4.420 nan 0.000 0.281 466 P C -0.494 176.897 177.300 0.151 0.000 1.286 466 P CA -0.382 62.800 63.100 0.136 0.000 0.772 466 P CB 0.612 32.383 31.700 0.117 0.000 0.862 467 L N 3.102 124.362 121.223 0.062 0.000 2.407 467 L HA 0.418 4.758 4.340 -0.000 0.000 0.282 467 L C 0.668 177.481 176.870 -0.094 0.000 1.110 467 L CA 0.040 54.901 54.840 0.034 0.000 0.863 467 L CB -0.517 41.328 42.059 -0.356 0.000 1.207 467 L HN 0.172 nan 8.230 nan 0.000 0.454 468 R N 1.324 121.875 120.500 0.084 0.000 2.532 468 R HA 0.383 4.723 4.340 -0.000 0.000 0.272 468 R C 1.364 177.729 176.300 0.109 0.000 1.032 468 R CA 0.170 56.307 56.100 0.062 0.000 1.089 468 R CB 1.261 31.620 30.300 0.098 0.000 1.098 468 R HN 0.832 nan 8.270 nan 0.000 0.526 469 S N -0.042 115.698 115.700 0.065 0.000 2.447 469 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 469 S C 1.060 175.714 174.600 0.091 0.000 1.006 469 S CA 1.459 59.712 58.200 0.089 0.000 0.957 469 S CB -0.360 62.867 63.200 0.046 0.000 0.773 469 S HN 0.783 nan 8.310 nan 0.000 0.507 470 D N 1.546 121.996 120.400 0.083 0.000 2.224 470 D HA 0.044 4.683 4.640 -0.000 0.000 0.205 470 D C 0.602 176.946 176.300 0.073 0.000 0.965 470 D CA 0.473 54.514 54.000 0.069 0.000 0.852 470 D CB -0.447 40.391 40.800 0.065 0.000 0.947 470 D HN 0.287 nan 8.370 nan 0.000 0.494 471 S N -0.869 114.902 115.700 0.119 0.000 2.601 471 S HA 0.377 4.847 4.470 -0.000 0.000 0.271 471 S C 0.879 175.386 174.600 -0.155 0.000 1.305 471 S CA -0.070 58.194 58.200 0.107 0.000 1.022 471 S CB 1.417 64.811 63.200 0.323 0.000 0.940 471 S HN 0.486 nan 8.310 nan 0.000 0.525 472 T N -2.059 112.356 114.554 -0.232 0.000 3.111 472 T HA 0.097 4.447 4.350 -0.000 0.000 0.284 472 T C 1.346 175.780 174.700 -0.443 0.000 0.983 472 T CA -0.583 61.271 62.100 -0.411 0.000 0.900 472 T CB -0.189 68.581 68.868 -0.163 0.000 1.132 472 T HN 0.851 nan 8.240 nan 0.000 0.531 473 W N 3.027 124.099 121.300 -0.380 0.000 2.402 473 W HA -0.134 4.526 4.660 -0.000 0.000 0.286 473 W C 1.637 178.008 176.519 -0.247 0.000 1.221 473 W CA 1.156 58.344 57.345 -0.260 0.000 1.257 473 W CB -1.146 28.164 29.460 -0.250 0.000 1.120 473 W HN 0.528 nan 8.180 nan 0.000 0.551 474 H N -0.243 118.266 119.070 -0.936 0.000 2.403 474 H HA 0.194 4.750 4.556 -0.000 0.000 0.298 474 H C 2.063 177.244 175.328 -0.245 0.000 1.059 474 H CA 1.296 56.900 56.048 -0.740 0.000 1.363 474 H CB -1.025 28.133 29.762 -1.007 0.000 1.410 474 H HN 0.176 nan 8.280 nan 0.000 0.528 475 G N 0.611 109.162 108.800 -0.415 0.000 2.131 475 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.223 475 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.223 475 G C -0.394 174.321 174.900 -0.308 0.000 0.990 475 G CA -0.028 44.898 45.100 -0.290 0.000 0.671 475 G HN 0.351 nan 8.290 nan 0.000 0.521 476 F N 0.795 120.887 119.950 0.236 0.000 2.399 476 F HA 0.601 5.128 4.527 -0.000 0.000 0.334 476 F C 0.866 176.744 175.800 0.130 0.000 1.097 476 F CA -0.762 57.356 58.000 0.197 0.000 1.076 476 F CB 1.373 40.478 39.000 0.174 0.000 1.162 476 F HN -0.172 nan 8.300 nan 0.000 0.495 477 K N 1.927 122.489 120.400 0.270 0.000 2.211 477 K HA 0.266 4.586 4.320 -0.000 0.000 0.275 477 K C -0.422 176.262 176.600 0.140 0.000 1.024 477 K CA -0.611 55.770 56.287 0.157 0.000 0.887 477 K CB 0.577 33.143 32.500 0.110 0.000 1.084 477 K HN 0.667 nan 8.250 nan 0.000 0.463 478 N N 1.495 120.257 118.700 0.103 0.000 2.714 478 N HA -0.230 4.510 4.740 -0.000 0.000 0.253 478 N C -0.727 174.810 175.510 0.045 0.000 1.024 478 N CA 0.129 53.219 53.050 0.066 0.000 0.726 478 N CB -1.110 37.407 38.487 0.051 0.000 0.908 478 N HN 0.544 nan 8.380 nan 0.000 0.542 479 I N 0.393 120.993 120.570 0.050 0.000 2.575 479 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 479 I C 0.377 176.452 176.117 -0.072 0.000 1.085 479 I CA -0.222 61.061 61.300 -0.030 0.000 1.403 479 I CB 0.483 38.429 38.000 -0.090 0.000 1.409 479 I HN 0.118 nan 8.210 nan 0.000 0.557 480 D N 6.628 126.956 120.400 -0.121 0.000 2.425 480 D HA 0.039 4.678 4.640 -0.000 0.000 0.247 480 D C -0.412 175.811 176.300 -0.129 0.000 1.147 480 D CA 0.213 54.116 54.000 -0.162 0.000 0.879 480 D CB 0.422 41.011 40.800 -0.352 0.000 1.179 480 D HN 0.434 nan 8.370 nan 0.000 0.456 481 N N 1.775 120.410 118.700 -0.107 0.000 2.529 481 N HA 0.014 4.754 4.740 -0.000 0.000 0.278 481 N C 0.254 175.703 175.510 -0.102 0.000 1.146 481 N CA 0.028 53.024 53.050 -0.089 0.000 0.980 481 N CB 0.682 39.143 38.487 -0.043 0.000 1.124 481 N HN 0.392 nan 8.380 nan 0.000 0.458 482 E N -0.453 119.672 120.200 -0.126 0.000 2.389 482 E HA -0.299 4.051 4.350 -0.000 0.000 0.243 482 E C -0.180 176.334 176.600 -0.143 0.000 1.154 482 E CA 0.547 56.879 56.400 -0.114 0.000 0.723 482 E CB -1.058 28.655 29.700 0.021 0.000 1.261 482 E HN 0.692 nan 8.360 nan 0.000 0.390 483 H N -0.872 117.946 119.070 -0.419 0.000 2.258 483 H HA 0.292 4.847 4.556 -0.000 0.000 0.250 483 H C 0.266 175.346 175.328 -0.413 0.000 0.908 483 H CA 0.571 56.404 56.048 -0.359 0.000 1.096 483 H CB 0.640 30.201 29.762 -0.336 0.000 1.422 483 H HN -0.012 nan 8.280 nan 0.000 0.469 484 M N 1.194 120.417 119.600 -0.629 0.000 2.436 484 M HA 0.292 4.771 4.480 -0.000 0.000 0.331 484 M C -1.484 174.439 176.300 -0.629 0.000 1.135 484 M CA -0.601 54.339 55.300 -0.600 0.000 0.987 484 M CB 1.331 33.644 32.600 -0.478 0.000 1.687 484 M HN 0.220 nan 8.290 nan 0.000 0.445 485 Y N 1.554 121.800 120.300 -0.090 0.000 2.425 485 Y HA 0.554 5.104 4.550 -0.000 0.000 0.344 485 Y C -0.399 175.557 175.900 0.094 0.000 0.969 485 Y CA -1.079 57.031 58.100 0.016 0.000 1.052 485 Y CB 1.765 40.211 38.460 -0.023 0.000 1.215 485 Y HN 0.556 nan 8.280 nan 0.000 0.451 486 L N 3.833 125.264 121.223 0.347 0.000 2.331 486 L HA 0.300 4.639 4.340 -0.000 0.000 0.278 486 L C -0.133 176.909 176.870 0.286 0.000 1.106 486 L CA 0.028 55.100 54.840 0.387 0.000 0.824 486 L CB 0.427 42.794 42.059 0.515 0.000 1.142 486 L HN 0.591 nan 8.230 nan 0.000 0.443 487 D N 6.415 126.993 120.400 0.296 0.000 2.317 487 D HA 0.183 4.822 4.640 -0.000 0.000 0.252 487 D C -1.859 174.575 176.300 0.222 0.000 1.174 487 D CA -1.534 52.618 54.000 0.252 0.000 0.866 487 D CB 2.062 43.067 40.800 0.341 0.000 1.127 487 D HN 0.412 nan 8.370 nan 0.000 0.467 488 P HA -0.100 nan 4.420 nan 0.000 0.216 488 P C 1.516 178.895 177.300 0.131 0.000 1.150 488 P CA 1.019 64.148 63.100 0.049 0.000 0.837 488 P CB -0.014 31.547 31.700 -0.231 0.000 0.786 489 I N -4.559 116.074 120.570 0.106 0.000 2.928 489 I HA 0.070 4.239 4.170 -0.000 0.000 0.266 489 I C 0.488 176.745 176.117 0.232 0.000 1.234 489 I CA 0.868 62.236 61.300 0.112 0.000 1.483 489 I CB -0.510 37.505 38.000 0.026 0.000 1.097 489 I HN -0.326 nan 8.210 nan 0.000 0.455 490 K N 3.259 123.805 120.400 0.244 0.000 2.307 490 K HA 0.326 4.646 4.320 -0.000 0.000 0.240 490 K C -0.542 176.242 176.600 0.307 0.000 1.214 490 K CA -0.261 56.179 56.287 0.255 0.000 1.149 490 K CB 0.585 33.221 32.500 0.227 0.000 1.668 490 K HN 0.139 nan 8.250 nan 0.000 0.314 491 V N 2.295 122.421 119.914 0.354 0.000 2.470 491 V HA 0.056 4.176 4.120 -0.000 0.000 0.276 491 V C 0.522 176.853 176.094 0.395 0.000 1.040 491 V CA -0.041 62.495 62.300 0.392 0.000 1.008 491 V CB 0.634 32.735 31.823 0.464 0.000 0.990 491 V HN 0.426 nan 8.190 nan 0.000 0.477 492 T N 7.104 121.878 114.554 0.367 0.000 2.788 492 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 492 T C -0.247 174.628 174.700 0.290 0.000 1.009 492 T CA -0.343 61.926 62.100 0.283 0.000 0.949 492 T CB 0.760 69.752 68.868 0.207 0.000 0.946 492 T HN 0.342 nan 8.240 nan 0.000 0.453 493 L N 3.734 125.127 121.223 0.283 0.000 2.334 493 L HA 0.569 4.909 4.340 -0.000 0.000 0.277 493 L C -0.390 176.581 176.870 0.169 0.000 1.075 493 L CA -0.890 54.099 54.840 0.249 0.000 0.804 493 L CB 1.008 43.231 42.059 0.273 0.000 1.174 493 L HN 0.409 nan 8.230 nan 0.000 0.438 494 L N 2.264 123.589 121.223 0.171 0.000 2.333 494 L HA 0.436 4.776 4.340 -0.000 0.000 0.280 494 L C 0.122 177.125 176.870 0.222 0.000 1.004 494 L CA -0.610 54.300 54.840 0.116 0.000 0.820 494 L CB 1.960 44.009 42.059 -0.017 0.000 1.247 494 L HN 0.598 nan 8.230 nan 0.000 0.416 495 T N 0.481 115.178 114.554 0.238 0.000 2.845 495 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 495 T C -2.506 172.276 174.700 0.136 0.000 0.980 495 T CA -2.038 60.182 62.100 0.202 0.000 1.071 495 T CB 0.992 69.962 68.868 0.170 0.000 0.941 495 T HN 0.187 nan 8.240 nan 0.000 0.487 496 P HA 0.329 nan 4.420 nan 0.000 0.264 496 P C 0.987 178.217 177.300 -0.117 0.000 1.183 496 P CA 0.512 63.602 63.100 -0.016 0.000 0.763 496 P CB 0.431 32.136 31.700 0.008 0.000 0.807 497 G N 1.456 110.145 108.800 -0.187 0.000 3.827 497 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.218 497 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.218 497 G C -0.216 174.417 174.900 -0.445 0.000 0.892 497 G CA -0.233 44.662 45.100 -0.342 0.000 0.857 497 G HN 0.415 nan 8.290 nan 0.000 0.508 498 M N 1.267 120.633 119.600 -0.390 0.000 2.518 498 M HA 0.509 4.989 4.480 -0.000 0.000 0.300 498 M C -0.616 175.624 176.300 -0.100 0.000 1.175 498 M CA -0.829 54.295 55.300 -0.293 0.000 0.890 498 M CB 2.460 34.790 32.600 -0.450 0.000 1.710 498 M HN -0.057 nan 8.290 nan 0.000 0.453 499 E N 1.138 121.274 120.200 -0.106 0.000 2.385 499 E HA 0.220 4.570 4.350 -0.000 0.000 0.254 499 E C 0.198 176.786 176.600 -0.020 0.000 1.228 499 E CA -0.070 56.306 56.400 -0.040 0.000 0.956 499 E CB 0.735 30.405 29.700 -0.049 0.000 1.116 499 E HN 0.521 nan 8.360 nan 0.000 0.507 500 K N 0.352 120.757 120.400 0.009 0.000 2.296 500 K HA -0.044 4.276 4.320 -0.000 0.000 0.200 500 K C 0.998 177.574 176.600 -0.041 0.000 1.048 500 K CA 0.666 56.967 56.287 0.023 0.000 0.966 500 K CB 0.226 32.744 32.500 0.029 0.000 0.754 500 K HN 0.295 nan 8.250 nan 0.000 0.466 501 D N -0.393 119.966 120.400 -0.068 0.000 2.213 501 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 501 D C 1.305 177.518 176.300 -0.144 0.000 0.961 501 D CA 1.329 55.275 54.000 -0.091 0.000 0.853 501 D CB 0.500 41.255 40.800 -0.074 0.000 0.967 501 D HN 0.392 nan 8.370 nan 0.000 0.496 502 G N 0.742 109.429 108.800 -0.188 0.000 2.183 502 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.168 502 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.168 502 G C 0.498 175.263 174.900 -0.224 0.000 1.008 502 G CA 0.301 45.242 45.100 -0.264 0.000 0.677 502 G HN 0.431 nan 8.290 nan 0.000 0.498 503 T N -0.670 113.785 114.554 -0.166 0.000 2.902 503 T HA 0.769 5.119 4.350 -0.000 0.000 0.280 503 T C 0.686 175.312 174.700 -0.123 0.000 0.992 503 T CA -0.820 61.205 62.100 -0.125 0.000 1.015 503 T CB 1.636 70.454 68.868 -0.084 0.000 1.044 503 T HN 0.064 nan 8.240 nan 0.000 0.520 504 M N 1.978 121.524 119.600 -0.089 0.000 2.250 504 M HA 0.380 4.860 4.480 -0.000 0.000 0.344 504 M C 0.318 176.608 176.300 -0.017 0.000 1.150 504 M CA -0.246 55.013 55.300 -0.069 0.000 1.147 504 M CB 0.752 33.318 32.600 -0.055 0.000 1.498 504 M HN 0.734 nan 8.290 nan 0.000 0.461 505 S N 1.050 116.764 115.700 0.024 0.000 2.651 505 S HA 0.191 4.661 4.470 -0.000 0.000 0.291 505 S C 0.756 175.458 174.600 0.171 0.000 1.141 505 S CA -0.719 57.519 58.200 0.064 0.000 1.027 505 S CB 1.662 64.874 63.200 0.019 0.000 1.043 505 S HN 0.686 nan 8.310 nan 0.000 0.530 506 D N 0.477 120.958 120.400 0.136 0.000 2.085 506 D HA -0.022 4.617 4.640 -0.000 0.000 0.199 506 D C 0.119 176.513 176.300 0.156 0.000 0.981 506 D CA 0.931 55.031 54.000 0.166 0.000 0.834 506 D CB 0.001 40.875 40.800 0.123 0.000 0.992 506 D HN 0.386 nan 8.370 nan 0.000 0.457 507 F N 0.139 120.047 119.950 -0.070 0.000 2.427 507 F HA 0.526 5.053 4.527 -0.000 0.000 0.352 507 F C 0.321 175.863 175.800 -0.431 0.000 1.100 507 F CA 0.074 57.956 58.000 -0.197 0.000 1.191 507 F CB 1.204 40.130 39.000 -0.123 0.000 1.128 507 F HN -0.026 nan 8.300 nan 0.000 0.533 508 G N 6.780 114.720 108.800 -1.433 0.000 2.753 508 G HA2 0.579 4.539 3.960 -0.000 0.000 0.297 508 G HA3 0.579 4.539 3.960 -0.000 0.000 0.297 508 G C -1.930 172.374 174.900 -0.992 0.000 1.430 508 G CA -0.729 43.575 45.100 -1.325 0.000 1.040 508 G HN 0.665 nan 8.290 nan 0.000 0.530 509 I N 2.505 122.695 120.570 -0.633 0.000 2.410 509 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 509 I C -2.355 173.663 176.117 -0.164 0.000 1.009 509 I CA -2.271 58.753 61.300 -0.459 0.000 1.111 509 I CB 2.810 40.376 38.000 -0.723 0.000 1.262 509 I HN 0.154 nan 8.210 nan 0.000 0.443 510 P HA 0.074 nan 4.420 nan 0.000 0.269 510 P C 0.397 177.612 177.300 -0.141 0.000 1.209 510 P CA -0.106 62.848 63.100 -0.243 0.000 0.776 510 P CB 1.048 32.600 31.700 -0.247 0.000 0.876 511 A N 2.337 125.062 122.820 -0.158 0.000 2.066 511 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 511 A C 1.991 179.568 177.584 -0.011 0.000 1.157 511 A CA 1.677 53.682 52.037 -0.055 0.000 0.670 511 A CB -1.407 17.571 19.000 -0.038 0.000 0.804 511 A HN 0.586 nan 8.150 nan 0.000 0.453 512 S N -0.008 115.701 115.700 0.015 0.000 2.447 512 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 512 S C 1.724 176.477 174.600 0.256 0.000 1.006 512 S CA 1.243 59.533 58.200 0.150 0.000 0.957 512 S CB -0.610 62.747 63.200 0.261 0.000 0.773 512 S HN 0.506 nan 8.310 nan 0.000 0.507 513 I N 1.299 121.995 120.570 0.209 0.000 2.333 513 I HA -0.061 4.109 4.170 -0.000 0.000 0.246 513 I C 2.264 178.515 176.117 0.224 0.000 1.106 513 I CA 0.666 62.135 61.300 0.281 0.000 1.411 513 I CB -0.325 37.831 38.000 0.260 0.000 1.082 513 I HN 0.186 nan 8.210 nan 0.000 0.420 514 V N 1.137 121.054 119.914 0.005 0.000 2.427 514 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 514 V C 2.711 178.815 176.094 0.017 0.000 1.051 514 V CA 1.793 63.942 62.300 -0.252 0.000 1.048 514 V CB -1.108 30.466 31.823 -0.415 0.000 0.666 514 V HN 0.455 nan 8.190 nan 0.000 0.456 515 A N -0.172 122.682 122.820 0.055 0.000 1.930 515 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 515 A C 2.313 179.958 177.584 0.103 0.000 1.175 515 A CA 1.658 53.738 52.037 0.072 0.000 0.627 515 A CB -0.352 18.665 19.000 0.027 0.000 0.815 515 A HN 0.526 nan 8.150 nan 0.000 0.443 516 K N -2.041 118.437 120.400 0.130 0.000 2.228 516 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 516 K C 1.813 178.528 176.600 0.191 0.000 1.051 516 K CA 1.111 57.466 56.287 0.114 0.000 0.960 516 K CB -0.201 32.340 32.500 0.068 0.000 0.743 516 K HN 0.632 nan 8.250 nan 0.000 0.458 517 Y N 1.489 121.890 120.300 0.168 0.000 2.220 517 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 517 Y C 1.665 177.729 175.900 0.274 0.000 1.129 517 Y CA 1.192 59.451 58.100 0.265 0.000 1.161 517 Y CB -0.059 38.655 38.460 0.424 0.000 0.997 517 Y HN -0.110 nan 8.280 nan 0.000 0.522 518 L N -0.083 121.263 121.223 0.205 0.000 2.217 518 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 518 L C 1.921 178.842 176.870 0.085 0.000 1.107 518 L CA 1.480 56.389 54.840 0.114 0.000 0.783 518 L CB -0.463 41.688 42.059 0.155 0.000 0.919 518 L HN 0.171 nan 8.230 nan 0.000 0.442 519 D N -0.120 120.324 120.400 0.073 0.000 2.219 519 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 519 D C 2.083 178.380 176.300 -0.005 0.000 0.970 519 D CA 0.794 54.815 54.000 0.035 0.000 0.851 519 D CB 0.240 41.055 40.800 0.026 0.000 0.943 519 D HN 0.198 nan 8.370 nan 0.000 0.488 520 E N -0.440 119.737 120.200 -0.039 0.000 2.110 520 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 520 E C 1.518 177.967 176.600 -0.252 0.000 0.988 520 E CA 1.014 57.317 56.400 -0.161 0.000 0.804 520 E CB -0.404 29.141 29.700 -0.259 0.000 0.745 520 E HN 0.604 nan 8.360 nan 0.000 0.458 521 H N -1.204 117.786 119.070 -0.133 0.000 2.539 521 H HA 0.213 4.769 4.556 -0.000 0.000 0.267 521 H C 1.301 176.596 175.328 -0.055 0.000 0.982 521 H CA 0.742 56.730 56.048 -0.100 0.000 1.146 521 H CB 0.787 30.472 29.762 -0.129 0.000 1.382 521 H HN 0.362 nan 8.280 nan 0.000 0.577 522 G N 0.313 109.139 108.800 0.043 0.000 2.253 522 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 522 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 522 G C 0.192 175.113 174.900 0.034 0.000 0.997 522 G CA -0.147 44.969 45.100 0.027 0.000 0.640 522 G HN 0.249 nan 8.290 nan 0.000 0.496 523 I N 2.182 122.782 120.570 0.050 0.000 2.452 523 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 523 I C 0.443 176.611 176.117 0.085 0.000 1.079 523 I CA -0.537 60.800 61.300 0.061 0.000 1.387 523 I CB 1.414 39.450 38.000 0.060 0.000 1.404 523 I HN -0.102 nan 8.210 nan 0.000 0.522 524 V N 7.660 127.620 119.914 0.077 0.000 2.394 524 V HA 0.241 4.361 4.120 -0.000 0.000 0.282 524 V C 0.245 176.372 176.094 0.054 0.000 1.031 524 V CA -0.739 61.597 62.300 0.060 0.000 0.881 524 V CB 1.713 33.562 31.823 0.043 0.000 0.982 524 V HN 0.388 nan 8.190 nan 0.000 0.451 525 V N 4.155 124.064 119.914 -0.009 0.000 2.530 525 V HA 0.165 4.285 4.120 -0.000 0.000 0.282 525 V C 1.180 177.207 176.094 -0.112 0.000 1.048 525 V CA -0.011 62.180 62.300 -0.181 0.000 0.997 525 V CB 1.274 32.941 31.823 -0.261 0.000 0.987 525 V HN 1.019 nan 8.190 nan 0.000 0.477 526 E N 3.800 123.927 120.200 -0.122 0.000 2.016 526 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 526 E C 1.034 177.663 176.600 0.049 0.000 0.985 526 E CA 1.331 57.748 56.400 0.027 0.000 0.802 526 E CB 0.194 29.932 29.700 0.063 0.000 0.762 526 E HN 0.605 nan 8.360 nan 0.000 0.448 527 K N 0.150 120.527 120.400 -0.039 0.000 2.483 527 K HA 0.223 4.543 4.320 -0.000 0.000 0.256 527 K C -1.372 175.160 176.600 -0.114 0.000 0.961 527 K CA -0.276 55.962 56.287 -0.082 0.000 0.873 527 K CB 1.519 33.942 32.500 -0.129 0.000 1.107 527 K HN 0.025 nan 8.250 nan 0.000 0.432 528 T N 2.152 116.670 114.554 -0.061 0.000 2.795 528 T HA 0.660 5.009 4.350 -0.000 0.000 0.282 528 T C -0.033 174.662 174.700 -0.008 0.000 0.980 528 T CA -0.343 61.727 62.100 -0.050 0.000 1.012 528 T CB 1.062 69.913 68.868 -0.027 0.000 0.936 528 T HN 0.740 nan 8.240 nan 0.000 0.457 529 G N 4.126 112.912 108.800 -0.025 0.000 3.211 529 G HA2 0.596 4.556 3.960 -0.000 0.000 0.262 529 G HA3 0.596 4.556 3.960 -0.000 0.000 0.262 529 G C -2.081 172.801 174.900 -0.029 0.000 1.352 529 G CA -1.170 43.926 45.100 -0.006 0.000 1.004 529 G HN 0.470 nan 8.290 nan 0.000 0.559 530 P HA 0.080 nan 4.420 nan 0.000 0.217 530 P C 0.108 177.129 177.300 -0.465 0.000 1.154 530 P CA 1.323 64.296 63.100 -0.211 0.000 0.841 530 P CB 0.114 31.776 31.700 -0.063 0.000 0.788 531 Y N -2.469 117.883 120.300 0.087 0.000 2.666 531 Y HA 0.193 4.742 4.550 -0.000 0.000 0.260 531 Y C 0.578 176.504 175.900 0.044 0.000 1.089 531 Y CA -0.792 57.365 58.100 0.095 0.000 1.246 531 Y CB 0.158 38.734 38.460 0.194 0.000 1.353 531 Y HN -0.035 nan 8.280 nan 0.000 0.558 532 N N 1.344 120.106 118.700 0.103 0.000 2.405 532 N HA 0.505 5.244 4.740 -0.000 0.000 0.299 532 N C -1.235 174.253 175.510 -0.036 0.000 1.075 532 N CA -0.357 52.688 53.050 -0.008 0.000 0.884 532 N CB 2.361 40.784 38.487 -0.106 0.000 1.194 532 N HN 0.130 nan 8.380 nan 0.000 0.491 533 L N 1.257 122.457 121.223 -0.038 0.000 2.376 533 L HA 0.421 4.760 4.340 -0.000 0.000 0.275 533 L C -0.763 175.960 176.870 -0.246 0.000 0.987 533 L CA -0.987 53.759 54.840 -0.157 0.000 0.828 533 L CB 2.015 44.037 42.059 -0.063 0.000 1.249 533 L HN 0.417 nan 8.230 nan 0.000 0.409 534 L N 3.536 124.518 121.223 -0.403 0.000 2.289 534 L HA 0.590 4.929 4.340 -0.000 0.000 0.285 534 L C -1.313 175.212 176.870 -0.576 0.000 1.049 534 L CA 0.391 55.056 54.840 -0.291 0.000 0.804 534 L CB 0.777 42.751 42.059 -0.141 0.000 1.195 534 L HN 0.272 nan 8.230 nan 0.000 0.428 535 F N 5.354 125.340 119.950 0.061 0.000 2.536 535 F HA 0.470 4.997 4.527 -0.000 0.000 0.322 535 F C -0.598 175.230 175.800 0.047 0.000 1.144 535 F CA -0.669 57.337 58.000 0.010 0.000 0.924 535 F CB 1.454 40.439 39.000 -0.026 0.000 1.181 535 F HN 0.173 nan 8.300 nan 0.000 0.438 536 L N 3.749 125.049 121.223 0.129 0.000 2.290 536 L HA 0.337 4.677 4.340 -0.000 0.000 0.284 536 L C -0.698 176.173 176.870 0.002 0.000 1.078 536 L CA -0.331 54.575 54.840 0.111 0.000 0.815 536 L CB 0.661 42.775 42.059 0.091 0.000 1.162 536 L HN 0.556 nan 8.230 nan 0.000 0.435 537 F N 1.994 121.953 119.950 0.017 0.000 2.441 537 F HA 0.200 4.727 4.527 -0.000 0.000 0.337 537 F C 1.089 176.867 175.800 -0.037 0.000 1.182 537 F CA -0.058 57.925 58.000 -0.029 0.000 1.279 537 F CB 0.829 39.804 39.000 -0.042 0.000 1.614 537 F HN 0.506 nan 8.300 nan 0.000 0.574 538 S N 1.327 117.060 115.700 0.056 0.000 2.606 538 S HA 0.142 4.611 4.470 -0.000 0.000 0.257 538 S C 1.888 176.508 174.600 0.033 0.000 1.327 538 S CA -0.482 57.746 58.200 0.046 0.000 0.984 538 S CB 0.496 63.731 63.200 0.058 0.000 0.941 538 S HN 0.549 nan 8.310 nan 0.000 0.576 539 I N -0.204 120.383 120.570 0.028 0.000 2.756 539 I HA 0.195 4.365 4.170 -0.000 0.000 0.262 539 I C 1.840 177.967 176.117 0.016 0.000 1.225 539 I CA 1.292 62.605 61.300 0.022 0.000 1.472 539 I CB -0.905 37.108 38.000 0.021 0.000 1.094 539 I HN 0.594 nan 8.210 nan 0.000 0.454 540 G N 1.538 110.345 108.800 0.011 0.000 2.712 540 G HA2 0.183 4.143 3.960 -0.000 0.000 0.212 540 G HA3 0.183 4.143 3.960 -0.000 0.000 0.212 540 G C 0.506 175.393 174.900 -0.021 0.000 1.142 540 G CA -0.071 45.028 45.100 -0.003 0.000 0.789 540 G HN 0.264 nan 8.290 nan 0.000 0.535 541 I N 2.723 123.274 120.570 -0.032 0.000 2.371 541 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 541 I C -0.004 176.104 176.117 -0.014 0.000 1.028 541 I CA -0.707 60.547 61.300 -0.076 0.000 1.345 541 I CB 1.254 39.129 38.000 -0.208 0.000 1.407 541 I HN 0.178 nan 8.210 nan 0.000 0.501 542 D N 6.244 126.634 120.400 -0.017 0.000 2.569 542 D HA 0.222 4.861 4.640 -0.000 0.000 0.266 542 D C 0.523 176.846 176.300 0.039 0.000 1.164 542 D CA -0.675 53.336 54.000 0.018 0.000 1.071 542 D CB 0.774 41.579 40.800 0.008 0.000 1.183 542 D HN 0.501 nan 8.370 nan 0.000 0.613 543 K N -0.857 119.573 120.400 0.049 0.000 2.365 543 K HA -0.045 4.275 4.320 -0.000 0.000 0.199 543 K C 1.497 178.126 176.600 0.048 0.000 1.045 543 K CA 0.883 57.209 56.287 0.064 0.000 0.962 543 K CB -0.361 32.172 32.500 0.057 0.000 0.759 543 K HN 0.176 nan 8.250 nan 0.000 0.469 544 T N 1.906 116.475 114.554 0.025 0.000 2.701 544 T HA -0.051 4.298 4.350 -0.000 0.000 0.263 544 T C 1.525 176.226 174.700 0.001 0.000 1.040 544 T CA 1.490 63.599 62.100 0.015 0.000 1.147 544 T CB -0.035 68.837 68.868 0.006 0.000 0.865 544 T HN 0.326 nan 8.240 nan 0.000 0.426 545 K N 1.057 121.441 120.400 -0.027 0.000 2.288 545 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 545 K C 2.397 178.936 176.600 -0.102 0.000 1.048 545 K CA 0.710 56.952 56.287 -0.075 0.000 0.956 545 K CB -0.087 32.343 32.500 -0.117 0.000 0.746 545 K HN 0.231 nan 8.250 nan 0.000 0.461 546 A N 0.810 123.611 122.820 -0.032 0.000 1.969 546 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 546 A C 1.941 179.611 177.584 0.143 0.000 1.169 546 A CA 1.137 53.212 52.037 0.064 0.000 0.635 546 A CB -0.299 18.843 19.000 0.237 0.000 0.810 546 A HN 0.163 nan 8.150 nan 0.000 0.445 547 L N -1.406 119.875 121.223 0.097 0.000 2.298 547 L HA 0.006 4.346 4.340 -0.000 0.000 0.209 547 L C 2.639 179.547 176.870 0.063 0.000 1.084 547 L CA 0.772 55.672 54.840 0.100 0.000 0.816 547 L CB -0.160 41.944 42.059 0.074 0.000 0.967 547 L HN 0.250 nan 8.230 nan 0.000 0.460 548 S N 0.301 116.015 115.700 0.024 0.000 2.399 548 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 548 S C 1.802 176.390 174.600 -0.020 0.000 1.022 548 S CA 1.182 59.383 58.200 0.001 0.000 0.983 548 S CB -0.157 63.036 63.200 -0.012 0.000 0.803 548 S HN 0.244 nan 8.310 nan 0.000 0.480 549 L N 1.123 122.320 121.223 -0.043 0.000 2.072 549 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 549 L C 1.964 178.846 176.870 0.020 0.000 1.079 549 L CA 1.317 56.104 54.840 -0.088 0.000 0.752 549 L CB -0.577 41.327 42.059 -0.257 0.000 0.906 549 L HN 0.232 nan 8.230 nan 0.000 0.436 550 L N -0.403 120.913 121.223 0.154 0.000 2.131 550 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 550 L C 2.665 179.599 176.870 0.106 0.000 1.092 550 L CA 1.596 56.547 54.840 0.185 0.000 0.759 550 L CB -0.536 41.657 42.059 0.223 0.000 0.903 550 L HN 0.295 nan 8.230 nan 0.000 0.435 551 R N -0.303 120.242 120.500 0.076 0.000 2.073 551 R HA 0.031 4.370 4.340 -0.000 0.000 0.229 551 R C 2.148 178.487 176.300 0.064 0.000 1.120 551 R CA 1.456 57.596 56.100 0.066 0.000 0.967 551 R CB -0.715 29.611 30.300 0.044 0.000 0.862 551 R HN 0.384 nan 8.270 nan 0.000 0.436 552 A N 0.276 123.108 122.820 0.019 0.000 1.969 552 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 552 A C 2.130 179.817 177.584 0.173 0.000 1.169 552 A CA 1.273 53.315 52.037 0.009 0.000 0.635 552 A CB -0.497 18.441 19.000 -0.103 0.000 0.810 552 A HN 0.347 nan 8.150 nan 0.000 0.445 553 L N -0.247 121.024 121.223 0.080 0.000 2.156 553 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 553 L C 2.821 179.855 176.870 0.273 0.000 1.095 553 L CA 1.621 56.485 54.840 0.040 0.000 0.770 553 L CB -0.572 41.324 42.059 -0.272 0.000 0.914 553 L HN 0.604 nan 8.230 nan 0.000 0.439 554 T N -5.120 109.580 114.554 0.244 0.000 3.023 554 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 554 T C 1.368 176.199 174.700 0.218 0.000 1.093 554 T CA 0.612 62.873 62.100 0.268 0.000 1.129 554 T CB -0.164 68.828 68.868 0.206 0.000 0.899 554 T HN 0.142 nan 8.240 nan 0.000 0.491 555 D N 0.098 120.637 120.400 0.231 0.000 2.289 555 D HA 0.136 4.776 4.640 -0.000 0.000 0.207 555 D C 1.312 177.766 176.300 0.258 0.000 0.966 555 D CA 0.206 54.350 54.000 0.240 0.000 0.868 555 D CB -0.239 40.705 40.800 0.240 0.000 0.943 555 D HN 0.434 nan 8.370 nan 0.000 0.514 556 F N 1.771 121.779 119.950 0.096 0.000 2.163 556 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 556 F C 2.225 178.089 175.800 0.108 0.000 1.094 556 F CA 1.129 59.036 58.000 -0.156 0.000 1.290 556 F CB 0.210 39.179 39.000 -0.052 0.000 1.017 556 F HN -0.257 nan 8.300 nan 0.000 0.483 557 K N 0.459 121.005 120.400 0.243 0.000 2.097 557 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 557 K C 2.469 179.111 176.600 0.070 0.000 1.050 557 K CA 1.236 57.556 56.287 0.054 0.000 0.938 557 K CB -0.271 32.092 32.500 -0.228 0.000 0.718 557 K HN 0.224 nan 8.250 nan 0.000 0.442 558 R N 0.134 120.675 120.500 0.069 0.000 2.081 558 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 558 R C 1.938 178.269 176.300 0.052 0.000 1.131 558 R CA 1.539 57.675 56.100 0.059 0.000 0.960 558 R CB -0.255 30.090 30.300 0.075 0.000 0.856 558 R HN 0.249 nan 8.270 nan 0.000 0.436 559 A N -0.556 122.281 122.820 0.028 0.000 2.119 559 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 559 A C 1.722 179.283 177.584 -0.037 0.000 1.152 559 A CA 0.384 52.419 52.037 -0.003 0.000 0.708 559 A CB -0.380 18.622 19.000 0.003 0.000 0.805 559 A HN 0.496 nan 8.150 nan 0.000 0.460 560 F N 0.601 120.435 119.950 -0.194 0.000 2.220 560 F HA -0.005 4.522 4.527 -0.000 0.000 0.290 560 F C 1.528 177.355 175.800 0.045 0.000 1.080 560 F CA 1.487 59.410 58.000 -0.130 0.000 1.318 560 F CB 0.182 39.111 39.000 -0.118 0.000 1.063 560 F HN 0.187 nan 8.300 nan 0.000 0.498 561 D N 0.514 121.062 120.400 0.246 0.000 2.219 561 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 561 D C 2.099 178.409 176.300 0.016 0.000 0.970 561 D CA 1.212 55.306 54.000 0.158 0.000 0.851 561 D CB -0.218 40.673 40.800 0.151 0.000 0.943 561 D HN 0.317 nan 8.370 nan 0.000 0.488 562 L N -0.357 120.864 121.223 -0.003 0.000 2.509 562 L HA 0.062 4.401 4.340 -0.000 0.000 0.222 562 L C 0.106 176.939 176.870 -0.061 0.000 1.123 562 L CA -0.165 54.661 54.840 -0.023 0.000 0.856 562 L CB -0.321 41.737 42.059 -0.002 0.000 0.985 562 L HN -0.013 nan 8.230 nan 0.000 0.456 563 N N 1.157 119.784 118.700 -0.122 0.000 2.525 563 N HA -0.191 4.549 4.740 -0.000 0.000 0.283 563 N C -0.740 174.718 175.510 -0.087 0.000 1.259 563 N CA 0.383 53.331 53.050 -0.170 0.000 0.689 563 N CB -0.871 37.507 38.487 -0.182 0.000 0.899 563 N HN 0.180 nan 8.380 nan 0.000 0.541 564 L N 1.849 123.035 121.223 -0.062 0.000 2.431 564 L HA 0.491 4.831 4.340 -0.000 0.000 0.260 564 L C 1.424 178.293 176.870 -0.000 0.000 1.098 564 L CA -1.003 53.829 54.840 -0.014 0.000 0.800 564 L CB 0.554 42.624 42.059 0.018 0.000 1.210 564 L HN 0.250 nan 8.230 nan 0.000 0.465 565 R N 0.190 120.700 120.500 0.016 0.000 2.594 565 R HA 0.066 4.406 4.340 -0.000 0.000 0.272 565 R C 0.883 177.217 176.300 0.056 0.000 1.074 565 R CA -0.175 55.945 56.100 0.033 0.000 1.105 565 R CB 0.852 31.161 30.300 0.014 0.000 1.008 565 R HN 0.417 nan 8.270 nan 0.000 0.472 566 V N 2.968 122.942 119.914 0.099 0.000 2.515 566 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 566 V C 2.499 178.644 176.094 0.085 0.000 1.058 566 V CA 1.697 64.072 62.300 0.124 0.000 1.064 566 V CB -0.514 31.429 31.823 0.200 0.000 0.675 566 V HN 0.734 nan 8.190 nan 0.000 0.461 567 K N 0.248 120.658 120.400 0.017 0.000 2.097 567 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 567 K C 1.957 178.437 176.600 -0.201 0.000 1.049 567 K CA 1.710 57.834 56.287 -0.271 0.000 0.933 567 K CB -0.055 32.177 32.500 -0.446 0.000 0.717 567 K HN 0.472 nan 8.250 nan 0.000 0.442 568 N N 0.267 118.922 118.700 -0.076 0.000 2.278 568 N HA -0.087 4.652 4.740 -0.000 0.000 0.181 568 N C 1.753 177.290 175.510 0.045 0.000 1.023 568 N CA 1.061 54.096 53.050 -0.025 0.000 0.862 568 N CB -0.104 38.381 38.487 -0.003 0.000 1.003 568 N HN 0.224 nan 8.380 nan 0.000 0.431 569 M N 0.274 119.931 119.600 0.095 0.000 2.200 569 M HA 0.055 4.535 4.480 -0.000 0.000 0.265 569 M C -0.224 176.213 176.300 0.229 0.000 1.066 569 M CA 1.203 56.624 55.300 0.200 0.000 1.127 569 M CB 0.333 33.054 32.600 0.201 0.000 1.379 569 M HN -0.080 nan 8.290 nan 0.000 0.420 570 L N 1.028 122.342 121.223 0.152 0.000 2.457 570 L HA 0.296 4.636 4.340 -0.000 0.000 0.252 570 L C -1.893 175.027 176.870 0.084 0.000 1.132 570 L CA -1.424 53.492 54.840 0.127 0.000 0.938 570 L CB 0.886 43.017 42.059 0.119 0.000 1.246 570 L HN -0.001 nan 8.230 nan 0.000 0.476 571 P HA -0.055 nan 4.420 nan 0.000 0.221 571 P C 1.211 178.582 177.300 0.117 0.000 1.150 571 P CA 0.881 64.032 63.100 0.086 0.000 0.800 571 P CB 0.531 32.251 31.700 0.033 0.000 0.787 572 S N 0.063 115.795 115.700 0.053 0.000 2.387 572 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 572 S C 1.836 176.442 174.600 0.009 0.000 1.026 572 S CA 0.601 58.817 58.200 0.026 0.000 0.972 572 S CB -1.001 62.195 63.200 -0.008 0.000 0.814 572 S HN 0.068 nan 8.310 nan 0.000 0.477 573 L N 0.441 121.654 121.223 -0.016 0.000 2.291 573 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 573 L C 1.883 178.739 176.870 -0.025 0.000 1.120 573 L CA 1.278 56.053 54.840 -0.110 0.000 0.799 573 L CB -0.509 41.406 42.059 -0.240 0.000 0.925 573 L HN 0.342 nan 8.230 nan 0.000 0.446 574 Y N -0.246 120.035 120.300 -0.031 0.000 2.373 574 Y HA -0.096 4.454 4.550 -0.000 0.000 0.293 574 Y C 2.412 178.372 175.900 0.100 0.000 1.129 574 Y CA 1.235 59.385 58.100 0.082 0.000 1.226 574 Y CB -0.028 38.481 38.460 0.080 0.000 1.000 574 Y HN 0.078 nan 8.280 nan 0.000 0.549 575 R N -0.007 120.519 120.500 0.043 0.000 2.236 575 R HA -0.079 4.261 4.340 -0.000 0.000 0.208 575 R C 1.930 178.205 176.300 -0.043 0.000 1.036 575 R CA 0.819 56.903 56.100 -0.028 0.000 1.001 575 R CB -0.011 30.306 30.300 0.028 0.000 0.896 575 R HN 0.425 nan 8.270 nan 0.000 0.464 576 E N 0.562 120.754 120.200 -0.013 0.000 2.017 576 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 576 E C -0.002 176.606 176.600 0.014 0.000 0.997 576 E CA 1.136 57.538 56.400 0.002 0.000 0.804 576 E CB 0.067 29.777 29.700 0.017 0.000 0.757 576 E HN 0.079 nan 8.360 nan 0.000 0.448 577 D N -1.442 118.998 120.400 0.067 0.000 2.375 577 D HA 0.162 4.802 4.640 -0.000 0.000 0.241 577 D C -2.260 174.053 176.300 0.022 0.000 1.361 577 D CA -1.886 52.148 54.000 0.057 0.000 0.995 577 D CB 1.588 42.444 40.800 0.092 0.000 1.312 577 D HN -0.264 nan 8.370 nan 0.000 0.576 578 P HA -0.045 nan 4.420 nan 0.000 0.219 578 P C 1.087 178.350 177.300 -0.062 0.000 1.150 578 P CA 0.618 63.435 63.100 -0.471 0.000 0.814 578 P CB 0.545 31.974 31.700 -0.450 0.000 0.787 579 E N -1.619 118.593 120.200 0.020 0.000 2.152 579 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 579 E C 1.630 178.271 176.600 0.069 0.000 0.983 579 E CA 0.561 56.996 56.400 0.059 0.000 0.818 579 E CB -0.359 29.367 29.700 0.044 0.000 0.758 579 E HN 0.110 nan 8.360 nan 0.000 0.467 580 F N -0.219 119.689 119.950 -0.071 0.000 2.163 580 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 580 F C 0.803 176.455 175.800 -0.247 0.000 1.094 580 F CA 1.105 58.974 58.000 -0.219 0.000 1.290 580 F CB 0.217 38.981 39.000 -0.393 0.000 1.017 580 F HN 0.017 nan 8.300 nan 0.000 0.483 581 Y N -0.148 120.379 120.300 0.379 0.000 2.867 581 Y HA 0.199 4.749 4.550 -0.000 0.000 0.351 581 Y C 1.399 177.502 175.900 0.338 0.000 1.046 581 Y CA -0.416 57.898 58.100 0.357 0.000 1.520 581 Y CB -0.412 38.289 38.460 0.402 0.000 1.337 581 Y HN 0.029 nan 8.280 nan 0.000 0.525 582 E N 0.925 121.318 120.200 0.322 0.000 2.033 582 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 582 E C 1.285 177.991 176.600 0.176 0.000 0.979 582 E CA 1.449 58.017 56.400 0.280 0.000 0.802 582 E CB 0.155 29.963 29.700 0.180 0.000 0.763 582 E HN 0.250 nan 8.360 nan 0.000 0.449 583 N N -0.505 118.266 118.700 0.119 0.000 2.220 583 N HA 0.081 4.820 4.740 -0.000 0.000 0.195 583 N C -0.054 175.510 175.510 0.089 0.000 1.123 583 N CA -0.063 53.035 53.050 0.079 0.000 0.874 583 N CB 0.246 38.756 38.487 0.038 0.000 0.995 583 N HN 0.237 nan 8.380 nan 0.000 0.498 584 M N 1.345 121.031 119.600 0.142 0.000 2.228 584 M HA 0.097 4.577 4.480 -0.000 0.000 0.351 584 M C 0.041 176.437 176.300 0.160 0.000 1.233 584 M CA 0.285 55.687 55.300 0.170 0.000 1.129 584 M CB 0.862 33.635 32.600 0.288 0.000 1.604 584 M HN -0.110 nan 8.290 nan 0.000 0.457 585 R N 2.650 123.212 120.500 0.103 0.000 2.875 585 R HA 0.376 4.716 4.340 -0.000 0.000 0.251 585 R C 0.761 177.090 176.300 0.048 0.000 1.123 585 R CA -0.926 55.208 56.100 0.057 0.000 1.064 585 R CB 0.837 31.137 30.300 0.001 0.000 1.205 585 R HN 0.768 nan 8.270 nan 0.000 0.503 586 I N 1.216 121.784 120.570 -0.004 0.000 2.394 586 I HA -0.207 3.962 4.170 -0.000 0.000 0.251 586 I C 1.858 177.937 176.117 -0.062 0.000 1.136 586 I CA 1.718 63.022 61.300 0.006 0.000 1.425 586 I CB 0.020 38.017 38.000 -0.006 0.000 1.079 586 I HN 0.513 nan 8.210 nan 0.000 0.425 587 Q N -0.440 119.212 119.800 -0.247 0.000 2.245 587 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 587 Q C 1.996 177.961 176.000 -0.057 0.000 0.955 587 Q CA 1.180 56.817 55.803 -0.277 0.000 0.870 587 Q CB 0.021 28.549 28.738 -0.350 0.000 0.945 587 Q HN 0.612 nan 8.270 nan 0.000 0.461 588 E N 0.511 120.700 120.200 -0.019 0.000 2.076 588 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 588 E C 1.871 178.490 176.600 0.032 0.000 0.979 588 E CA 0.326 56.741 56.400 0.024 0.000 0.807 588 E CB 0.166 29.894 29.700 0.046 0.000 0.761 588 E HN 0.145 nan 8.360 nan 0.000 0.454 589 L N 0.419 121.669 121.223 0.045 0.000 2.156 589 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 589 L C 2.071 178.901 176.870 -0.067 0.000 1.095 589 L CA 1.776 56.611 54.840 -0.008 0.000 0.770 589 L CB -0.289 41.823 42.059 0.088 0.000 0.914 589 L HN 0.130 nan 8.230 nan 0.000 0.439 590 A N -1.427 121.408 122.820 0.024 0.000 1.968 590 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 590 A C 2.155 179.707 177.584 -0.054 0.000 1.169 590 A CA 1.296 53.338 52.037 0.008 0.000 0.638 590 A CB -0.344 18.766 19.000 0.182 0.000 0.812 590 A HN 0.613 nan 8.150 nan 0.000 0.446 591 Q N -0.702 119.087 119.800 -0.019 0.000 2.398 591 Q HA -0.004 4.336 4.340 -0.000 0.000 0.204 591 Q C 1.240 177.262 176.000 0.038 0.000 0.932 591 Q CA 0.378 56.188 55.803 0.012 0.000 0.916 591 Q CB 0.043 28.802 28.738 0.036 0.000 1.024 591 Q HN 0.560 nan 8.270 nan 0.000 0.504 592 N N 0.797 119.490 118.700 -0.012 0.000 2.173 592 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 592 N C 1.661 177.146 175.510 -0.042 0.000 1.025 592 N CA 1.013 54.059 53.050 -0.007 0.000 0.852 592 N CB 0.078 38.551 38.487 -0.024 0.000 0.998 592 N HN 0.208 nan 8.380 nan 0.000 0.427 593 I N -0.212 120.257 120.570 -0.169 0.000 2.500 593 I HA -0.168 4.001 4.170 -0.000 0.000 0.252 593 I C 2.159 178.234 176.117 -0.071 0.000 1.142 593 I CA 0.739 61.927 61.300 -0.187 0.000 1.451 593 I CB -0.259 37.493 38.000 -0.414 0.000 1.093 593 I HN 0.155 nan 8.210 nan 0.000 0.430 594 H N 1.822 120.826 119.070 -0.109 0.000 2.353 594 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 594 H C 2.056 177.400 175.328 0.026 0.000 1.090 594 H CA 1.585 57.615 56.048 -0.029 0.000 1.327 594 H CB 0.218 29.948 29.762 -0.052 0.000 1.383 594 H HN -0.055 nan 8.280 nan 0.000 0.508 595 K N 0.277 120.657 120.400 -0.034 0.000 2.217 595 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 595 K C 2.300 178.898 176.600 -0.003 0.000 1.051 595 K CA 0.591 56.849 56.287 -0.049 0.000 0.952 595 K CB -0.124 32.386 32.500 0.017 0.000 0.736 595 K HN 0.394 nan 8.250 nan 0.000 0.453 596 L N 0.402 121.637 121.223 0.020 0.000 2.141 596 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 596 L C 2.224 179.201 176.870 0.178 0.000 1.094 596 L CA 0.823 55.737 54.840 0.123 0.000 0.763 596 L CB -0.310 41.779 42.059 0.050 0.000 0.908 596 L HN 0.063 nan 8.230 nan 0.000 0.437 597 I N -1.235 119.361 120.570 0.043 0.000 2.252 597 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 597 I C 2.324 178.470 176.117 0.048 0.000 1.102 597 I CA 0.820 62.149 61.300 0.049 0.000 1.385 597 I CB -0.211 37.806 38.000 0.028 0.000 1.064 597 I HN -0.013 nan 8.210 nan 0.000 0.414 598 V N 0.218 120.110 119.914 -0.038 0.000 2.379 598 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 598 V C 2.480 178.591 176.094 0.028 0.000 1.044 598 V CA 2.198 64.475 62.300 -0.039 0.000 1.036 598 V CB -0.916 30.841 31.823 -0.109 0.000 0.664 598 V HN 0.464 nan 8.190 nan 0.000 0.453 599 H N -0.340 118.713 119.070 -0.028 0.000 2.326 599 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 599 H C 2.274 177.545 175.328 -0.094 0.000 1.081 599 H CA 1.882 57.890 56.048 -0.068 0.000 1.334 599 H CB -0.090 29.611 29.762 -0.100 0.000 1.385 599 H HN 0.471 nan 8.280 nan 0.000 0.504 600 H N -0.341 118.749 119.070 0.033 0.000 2.555 600 H HA -0.009 4.547 4.556 -0.000 0.000 0.269 600 H C 0.524 175.850 175.328 -0.002 0.000 0.988 600 H CA 0.726 56.776 56.048 0.005 0.000 1.178 600 H CB 0.001 29.812 29.762 0.081 0.000 1.373 600 H HN 0.364 nan 8.280 nan 0.000 0.588 601 N N 1.175 119.926 118.700 0.086 0.000 2.696 601 N HA -0.183 4.557 4.740 -0.000 0.000 0.256 601 N C 1.136 176.721 175.510 0.126 0.000 1.031 601 N CA 0.150 53.240 53.050 0.067 0.000 0.730 601 N CB -1.237 37.263 38.487 0.021 0.000 0.894 601 N HN 0.323 nan 8.380 nan 0.000 0.544 602 L N 0.781 122.094 121.223 0.150 0.000 2.017 602 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 602 L C -0.884 176.111 176.870 0.209 0.000 1.073 602 L CA 2.267 57.227 54.840 0.200 0.000 0.745 602 L CB -1.474 40.683 42.059 0.164 0.000 0.894 602 L HN 0.253 nan 8.230 nan 0.000 0.432 603 P HA -0.087 nan 4.420 nan 0.000 0.221 603 P C 0.931 178.282 177.300 0.084 0.000 1.150 603 P CA 1.239 64.401 63.100 0.103 0.000 0.800 603 P CB 0.109 31.832 31.700 0.040 0.000 0.787 604 D N -1.095 119.348 120.400 0.072 0.000 2.183 604 D HA -0.019 4.620 4.640 -0.000 0.000 0.205 604 D C 1.756 178.133 176.300 0.128 0.000 0.962 604 D CA 0.654 54.695 54.000 0.069 0.000 0.849 604 D CB -0.458 40.355 40.800 0.022 0.000 0.978 604 D HN 0.002 nan 8.370 nan 0.000 0.488 605 L N 0.029 121.339 121.223 0.144 0.000 2.313 605 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 605 L C 2.282 179.186 176.870 0.057 0.000 1.119 605 L CA 0.348 55.289 54.840 0.168 0.000 0.809 605 L CB -0.171 42.046 42.059 0.264 0.000 0.933 605 L HN 0.185 nan 8.230 nan 0.000 0.449 606 M N -1.686 117.916 119.600 0.004 0.000 2.288 606 M HA -0.213 4.267 4.480 -0.000 0.000 0.266 606 M C 2.213 178.465 176.300 -0.080 0.000 1.072 606 M CA 1.529 56.618 55.300 -0.351 0.000 1.132 606 M CB 0.006 32.564 32.600 -0.069 0.000 1.386 606 M HN 0.204 nan 8.290 nan 0.000 0.432 607 Y N 0.672 120.932 120.300 -0.066 0.000 2.133 607 Y HA -0.132 4.418 4.550 -0.000 0.000 0.287 607 Y C 2.102 178.000 175.900 -0.003 0.000 1.134 607 Y CA 1.741 59.831 58.100 -0.016 0.000 1.133 607 Y CB 0.011 38.461 38.460 -0.016 0.000 0.987 607 Y HN 0.088 nan 8.280 nan 0.000 0.502 608 R N -0.251 120.291 120.500 0.069 0.000 2.276 608 R HA 0.024 4.364 4.340 -0.000 0.000 0.203 608 R C 2.183 178.420 176.300 -0.104 0.000 1.017 608 R CA 0.600 56.693 56.100 -0.013 0.000 1.010 608 R CB -0.199 30.145 30.300 0.072 0.000 0.900 608 R HN 0.402 nan 8.270 nan 0.000 0.469 609 A N 0.033 122.746 122.820 -0.177 0.000 1.970 609 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 609 A C 1.456 178.765 177.584 -0.458 0.000 1.170 609 A CA 0.919 52.755 52.037 -0.335 0.000 0.645 609 A CB -0.129 18.534 19.000 -0.561 0.000 0.816 609 A HN 0.194 nan 8.150 nan 0.000 0.447 610 F N -0.556 119.233 119.950 -0.270 0.000 2.714 610 F HA 0.141 4.668 4.527 -0.000 0.000 0.294 610 F C 2.231 177.903 175.800 -0.214 0.000 1.120 610 F CA 0.331 58.194 58.000 -0.229 0.000 1.398 610 F CB 0.276 39.137 39.000 -0.232 0.000 1.120 610 F HN 0.099 nan 8.300 nan 0.000 0.589 611 E N 0.599 120.725 120.200 -0.122 0.000 2.047 611 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 611 E C 0.684 177.228 176.600 -0.093 0.000 0.987 611 E CA 0.972 57.277 56.400 -0.159 0.000 0.799 611 E CB -0.344 29.198 29.700 -0.264 0.000 0.752 611 E HN 0.162 nan 8.360 nan 0.000 0.449 612 V N 0.556 120.412 119.914 -0.097 0.000 2.370 612 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 612 V C 0.228 176.261 176.094 -0.102 0.000 1.029 612 V CA -0.682 61.572 62.300 -0.078 0.000 0.870 612 V CB 0.997 32.783 31.823 -0.061 0.000 0.984 612 V HN -0.065 nan 8.190 nan 0.000 0.451 613 L N 5.717 126.886 121.223 -0.090 0.000 2.350 613 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 613 L C -2.045 174.760 176.870 -0.108 0.000 1.099 613 L CA -1.681 53.087 54.840 -0.121 0.000 0.808 613 L CB 1.025 43.012 42.059 -0.121 0.000 1.149 613 L HN 0.415 nan 8.230 nan 0.000 0.442 614 P HA 0.025 nan 4.420 nan 0.000 0.267 614 P C -0.640 176.620 177.300 -0.068 0.000 1.200 614 P CA -0.166 62.878 63.100 -0.093 0.000 0.772 614 P CB 0.320 31.958 31.700 -0.104 0.000 0.855 615 T N 3.196 117.726 114.554 -0.040 0.000 2.799 615 T HA 0.180 4.530 4.350 -0.000 0.000 0.296 615 T C 0.454 175.150 174.700 -0.007 0.000 0.947 615 T CA -0.147 61.942 62.100 -0.019 0.000 1.141 615 T CB -0.174 68.688 68.868 -0.011 0.000 0.891 615 T HN 0.315 nan 8.240 nan 0.000 0.533 616 M N 5.005 124.611 119.600 0.009 0.000 2.227 616 M HA 0.192 4.672 4.480 -0.000 0.000 0.349 616 M C 0.205 176.522 176.300 0.029 0.000 1.443 616 M CA 0.408 55.728 55.300 0.033 0.000 1.110 616 M CB 0.206 32.844 32.600 0.063 0.000 1.773 616 M HN 0.422 nan 8.290 nan 0.000 0.463 617 V N 5.149 125.082 119.914 0.032 0.000 2.854 617 V HA 0.284 4.404 4.120 -0.000 0.000 0.236 617 V C 0.584 176.700 176.094 0.037 0.000 1.157 617 V CA 1.090 63.407 62.300 0.028 0.000 1.187 617 V CB -0.054 31.783 31.823 0.023 0.000 0.949 617 V HN 0.920 nan 8.190 nan 0.000 0.488 618 M N -0.499 119.131 119.600 0.049 0.000 2.575 618 M HA 0.601 5.080 4.480 -0.000 0.000 0.284 618 M C -0.321 176.029 176.300 0.084 0.000 1.253 618 M CA -0.571 54.766 55.300 0.061 0.000 0.861 618 M CB 1.860 34.495 32.600 0.058 0.000 1.733 618 M HN 0.093 nan 8.290 nan 0.000 0.462 619 T N -1.664 112.949 114.554 0.099 0.000 2.932 619 T HA 0.256 4.606 4.350 -0.000 0.000 0.312 619 T C -2.165 172.629 174.700 0.156 0.000 1.071 619 T CA -0.914 61.260 62.100 0.123 0.000 1.128 619 T CB -0.004 68.942 68.868 0.130 0.000 0.984 619 T HN 0.549 nan 8.240 nan 0.000 0.549 620 P HA -0.089 nan 4.420 nan 0.000 0.218 620 P C 0.997 178.426 177.300 0.215 0.000 1.146 620 P CA 0.822 64.022 63.100 0.166 0.000 0.813 620 P CB -0.159 31.629 31.700 0.145 0.000 0.778 621 Y N 0.704 121.068 120.300 0.107 0.000 2.114 621 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 621 Y C 2.433 178.430 175.900 0.161 0.000 1.143 621 Y CA 2.003 60.183 58.100 0.134 0.000 1.135 621 Y CB -0.791 37.720 38.460 0.085 0.000 0.980 621 Y HN -0.103 nan 8.280 nan 0.000 0.499 622 A N 0.200 123.155 122.820 0.225 0.000 2.015 622 A HA -0.073 4.246 4.320 -0.000 0.000 0.219 622 A C 2.292 179.916 177.584 0.066 0.000 1.163 622 A CA 1.512 53.617 52.037 0.114 0.000 0.646 622 A CB -1.335 17.747 19.000 0.137 0.000 0.806 622 A HN 0.610 nan 8.150 nan 0.000 0.448 623 A N -1.337 121.547 122.820 0.106 0.000 1.930 623 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 623 A C 2.034 179.692 177.584 0.124 0.000 1.175 623 A CA 1.410 53.508 52.037 0.103 0.000 0.627 623 A CB -0.618 18.454 19.000 0.120 0.000 0.815 623 A HN 0.660 nan 8.150 nan 0.000 0.443 624 F N -0.011 119.926 119.950 -0.021 0.000 2.367 624 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 624 F C 2.458 178.214 175.800 -0.074 0.000 1.094 624 F CA 1.257 59.232 58.000 -0.042 0.000 1.409 624 F CB 0.089 39.058 39.000 -0.052 0.000 1.064 624 F HN 0.156 nan 8.300 nan 0.000 0.528 625 Q N 0.692 120.406 119.800 -0.144 0.000 2.119 625 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 625 Q C 2.095 178.077 176.000 -0.030 0.000 0.972 625 Q CA 1.122 56.822 55.803 -0.171 0.000 0.847 625 Q CB -0.355 28.300 28.738 -0.138 0.000 0.903 625 Q HN 0.371 nan 8.270 nan 0.000 0.433 626 K N 0.706 121.082 120.400 -0.039 0.000 2.148 626 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 626 K C 1.840 178.419 176.600 -0.034 0.000 1.050 626 K CA 0.619 56.892 56.287 -0.023 0.000 0.942 626 K CB 0.045 32.528 32.500 -0.027 0.000 0.724 626 K HN 0.342 nan 8.250 nan 0.000 0.446 627 E N 0.760 120.890 120.200 -0.115 0.000 2.152 627 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 627 E C 1.961 178.417 176.600 -0.241 0.000 0.983 627 E CA 0.316 56.625 56.400 -0.152 0.000 0.818 627 E CB 0.132 29.749 29.700 -0.139 0.000 0.758 627 E HN 0.162 nan 8.360 nan 0.000 0.467 628 L N -0.274 120.722 121.223 -0.378 0.000 2.156 628 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 628 L C 2.064 178.773 176.870 -0.269 0.000 1.095 628 L CA 1.064 55.667 54.840 -0.396 0.000 0.770 628 L CB -0.286 41.464 42.059 -0.515 0.000 0.914 628 L HN 0.217 nan 8.230 nan 0.000 0.439 629 H N -0.454 118.512 119.070 -0.172 0.000 2.428 629 H HA 0.043 4.599 4.556 -0.000 0.000 0.296 629 H C 1.490 176.765 175.328 -0.089 0.000 1.062 629 H CA 1.044 57.025 56.048 -0.111 0.000 1.350 629 H CB 0.108 29.816 29.762 -0.091 0.000 1.403 629 H HN 0.382 nan 8.280 nan 0.000 0.533 630 G N -0.394 108.417 108.800 0.017 0.000 2.155 630 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.135 630 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.135 630 G C 0.278 175.177 174.900 -0.001 0.000 1.023 630 G CA -0.110 44.985 45.100 -0.009 0.000 0.688 630 G HN 0.091 nan 8.290 nan 0.000 0.499 631 M N 2.686 122.287 119.600 0.002 0.000 3.443 631 M HA 0.260 4.739 4.480 -0.000 0.000 0.228 631 M C 0.498 176.795 176.300 -0.006 0.000 1.227 631 M CA 0.549 55.846 55.300 -0.006 0.000 1.321 631 M CB -0.746 31.843 32.600 -0.017 0.000 1.134 631 M HN 0.491 nan 8.290 nan 0.000 0.567 632 T N -1.007 113.544 114.554 -0.005 0.000 2.893 632 T HA 0.771 5.121 4.350 -0.000 0.000 0.293 632 T C -0.551 174.148 174.700 -0.002 0.000 1.027 632 T CA -0.908 61.193 62.100 0.002 0.000 0.988 632 T CB 2.636 71.509 68.868 0.008 0.000 1.043 632 T HN 0.494 nan 8.240 nan 0.000 0.461 633 E N 1.114 121.316 120.200 0.004 0.000 2.383 633 E HA 0.520 4.870 4.350 -0.000 0.000 0.275 633 E C -1.392 175.207 176.600 -0.002 0.000 0.918 633 E CA -1.126 55.272 56.400 -0.005 0.000 0.764 633 E CB 2.059 31.759 29.700 -0.001 0.000 1.252 633 E HN 0.622 nan 8.360 nan 0.000 0.449 634 E N 1.370 121.556 120.200 -0.024 0.000 2.146 634 E HA 0.351 4.701 4.350 -0.000 0.000 0.282 634 E C -0.301 176.273 176.600 -0.043 0.000 0.989 634 E CA -0.734 55.644 56.400 -0.038 0.000 0.799 634 E CB 1.922 31.566 29.700 -0.093 0.000 1.088 634 E HN 0.443 nan 8.360 nan 0.000 0.397 635 V N 0.538 120.440 119.914 -0.019 0.000 3.113 635 V HA 0.490 4.609 4.120 -0.000 0.000 0.316 635 V C -0.559 175.525 176.094 -0.018 0.000 1.125 635 V CA -0.993 61.316 62.300 0.016 0.000 1.026 635 V CB 0.733 32.600 31.823 0.074 0.000 1.080 635 V HN 0.487 nan 8.190 nan 0.000 0.444 636 Y N 0.352 120.676 120.300 0.040 0.000 2.330 636 Y HA 0.354 4.904 4.550 -0.000 0.000 0.341 636 Y C 1.211 177.142 175.900 0.053 0.000 1.278 636 Y CA 0.380 58.509 58.100 0.048 0.000 1.453 636 Y CB 0.778 39.259 38.460 0.035 0.000 1.342 636 Y HN 0.635 nan 8.280 nan 0.000 0.590 637 L N 0.958 122.322 121.223 0.234 0.000 2.141 637 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 637 L C 1.330 178.270 176.870 0.116 0.000 1.094 637 L CA 1.794 56.721 54.840 0.145 0.000 0.763 637 L CB -0.447 41.694 42.059 0.136 0.000 0.908 637 L HN 0.643 nan 8.230 nan 0.000 0.437 638 D N -0.640 119.840 120.400 0.133 0.000 2.347 638 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 638 D C 1.324 177.666 176.300 0.070 0.000 0.976 638 D CA 0.557 54.605 54.000 0.080 0.000 0.884 638 D CB 0.108 40.939 40.800 0.051 0.000 0.915 638 D HN 0.434 nan 8.370 nan 0.000 0.526 639 E N 0.196 120.457 120.200 0.102 0.000 2.501 639 E HA 0.091 4.440 4.350 -0.000 0.000 0.200 639 E C 1.505 178.147 176.600 0.070 0.000 1.016 639 E CA -0.018 56.433 56.400 0.085 0.000 0.921 639 E CB 0.255 30.026 29.700 0.119 0.000 1.034 639 E HN 0.457 nan 8.360 nan 0.000 0.468 640 M N -1.293 118.345 119.600 0.063 0.000 2.505 640 M HA 0.208 4.687 4.480 -0.000 0.000 0.230 640 M C 0.078 176.396 176.300 0.031 0.000 1.153 640 M CA 0.054 55.383 55.300 0.048 0.000 0.997 640 M CB 0.194 32.823 32.600 0.048 0.000 1.606 640 M HN -0.350 nan 8.290 nan 0.000 0.481 641 V N 3.017 122.948 119.914 0.029 0.000 2.446 641 V HA 0.356 4.476 4.120 -0.000 0.000 0.276 641 V C 1.306 177.410 176.094 0.016 0.000 1.030 641 V CA 0.866 63.177 62.300 0.019 0.000 1.033 641 V CB -0.217 31.616 31.823 0.017 0.000 0.993 641 V HN 0.849 nan 8.190 nan 0.000 0.477 642 G N 4.330 113.137 108.800 0.011 0.000 2.212 642 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.255 642 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.255 642 G C -0.000 174.908 174.900 0.013 0.000 1.062 642 G CA -0.397 44.709 45.100 0.010 0.000 0.815 642 G HN 0.535 nan 8.290 nan 0.000 0.497 643 R N -0.672 119.837 120.500 0.015 0.000 2.686 643 R HA 0.604 4.944 4.340 -0.000 0.000 0.286 643 R C 0.314 176.625 176.300 0.018 0.000 0.969 643 R CA -1.185 54.926 56.100 0.019 0.000 0.898 643 R CB 1.223 31.539 30.300 0.026 0.000 1.183 643 R HN 0.273 nan 8.270 nan 0.000 0.456 644 I N 2.349 122.931 120.570 0.020 0.000 2.337 644 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 644 I C 0.614 176.749 176.117 0.031 0.000 1.046 644 I CA -0.410 60.904 61.300 0.023 0.000 1.324 644 I CB 0.445 38.459 38.000 0.024 0.000 1.409 644 I HN 0.148 nan 8.210 nan 0.000 0.494 645 N N 4.201 122.920 118.700 0.032 0.000 2.525 645 N HA 0.255 4.995 4.740 -0.000 0.000 0.271 645 N C 0.545 176.089 175.510 0.058 0.000 1.194 645 N CA 0.037 53.111 53.050 0.041 0.000 0.964 645 N CB 1.986 40.490 38.487 0.029 0.000 1.126 645 N HN 0.784 nan 8.380 nan 0.000 0.452 646 A N 2.057 124.921 122.820 0.073 0.000 2.070 646 A HA 0.156 4.475 4.320 -0.000 0.000 0.202 646 A C 0.443 178.100 177.584 0.122 0.000 1.277 646 A CA 0.329 52.425 52.037 0.100 0.000 0.872 646 A CB 0.253 19.311 19.000 0.096 0.000 0.933 646 A HN 0.563 nan 8.150 nan 0.000 0.475 647 N N -0.252 118.510 118.700 0.103 0.000 2.430 647 N HA 0.366 5.105 4.740 -0.000 0.000 0.298 647 N C -0.827 174.719 175.510 0.059 0.000 1.130 647 N CA -0.360 52.748 53.050 0.097 0.000 0.894 647 N CB 1.274 39.820 38.487 0.099 0.000 1.209 647 N HN 0.339 nan 8.380 nan 0.000 0.503 648 M N 1.707 121.336 119.600 0.048 0.000 2.228 648 M HA 0.268 4.748 4.480 -0.000 0.000 0.351 648 M C -0.612 175.700 176.300 0.020 0.000 1.233 648 M CA -0.007 55.304 55.300 0.019 0.000 1.129 648 M CB 0.304 32.900 32.600 -0.006 0.000 1.604 648 M HN 0.394 nan 8.290 nan 0.000 0.457 649 I N 5.863 126.437 120.570 0.007 0.000 2.312 649 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 649 I C -0.974 175.161 176.117 0.030 0.000 1.008 649 I CA -0.548 60.759 61.300 0.012 0.000 1.226 649 I CB 1.225 39.219 38.000 -0.011 0.000 1.371 649 I HN 0.519 nan 8.210 nan 0.000 0.468 650 L N 10.539 131.805 121.223 0.073 0.000 2.366 650 L HA 0.593 4.933 4.340 -0.000 0.000 0.266 650 L C -2.586 174.358 176.870 0.123 0.000 1.010 650 L CA -1.561 53.321 54.840 0.071 0.000 0.879 650 L CB 1.174 43.258 42.059 0.041 0.000 1.228 650 L HN 0.245 nan 8.230 nan 0.000 0.439 651 P HA 0.300 nan 4.420 nan 0.000 0.294 651 P C -1.697 175.606 177.300 0.005 0.000 1.294 651 P CA -0.270 62.888 63.100 0.095 0.000 0.827 651 P CB 0.838 32.638 31.700 0.168 0.000 0.992 652 Y N 3.615 123.962 120.300 0.079 0.000 2.334 652 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 652 Y C -1.528 174.400 175.900 0.047 0.000 0.960 652 Y CA -1.871 56.268 58.100 0.065 0.000 1.164 652 Y CB 1.240 39.730 38.460 0.050 0.000 1.155 652 Y HN 0.325 nan 8.280 nan 0.000 0.478 653 P HA 0.282 nan 4.420 nan 0.000 0.278 653 P C -2.494 174.901 177.300 0.158 0.000 1.266 653 P CA -1.931 61.243 63.100 0.124 0.000 0.807 653 P CB 1.573 33.337 31.700 0.108 0.000 1.094 654 P HA 0.114 nan 4.420 nan 0.000 0.239 654 P C 0.650 177.748 177.300 -0.337 0.000 1.188 654 P CA 0.874 63.881 63.100 -0.155 0.000 0.794 654 P CB 0.013 31.564 31.700 -0.248 0.000 0.937 655 G N -0.387 108.088 108.800 -0.541 0.000 2.215 655 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.198 655 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.198 655 G C -0.186 174.419 174.900 -0.491 0.000 1.047 655 G CA -0.135 44.358 45.100 -1.011 0.000 0.747 655 G HN 0.436 nan 8.290 nan 0.000 0.495 656 V N -3.199 116.550 119.914 -0.275 0.000 2.823 656 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 656 V C -2.417 173.718 176.094 0.068 0.000 1.072 656 V CA -3.197 59.030 62.300 -0.122 0.000 0.937 656 V CB 2.065 33.765 31.823 -0.204 0.000 1.013 656 V HN 0.018 nan 8.190 nan 0.000 0.430 657 P HA 0.101 nan 4.420 nan 0.000 0.258 657 P C 0.139 177.542 177.300 0.171 0.000 1.187 657 P CA 0.332 63.482 63.100 0.084 0.000 0.767 657 P CB 0.732 32.460 31.700 0.046 0.000 0.770 658 L N 5.629 126.898 121.223 0.077 0.000 2.262 658 L HA 0.180 4.520 4.340 -0.000 0.000 0.197 658 L C 0.122 176.881 176.870 -0.185 0.000 1.073 658 L CA 1.455 56.201 54.840 -0.158 0.000 0.800 658 L CB 0.418 42.296 42.059 -0.301 0.000 0.987 658 L HN 0.025 nan 8.230 nan 0.000 0.470 659 V N 1.929 121.775 119.914 -0.114 0.000 2.487 659 V HA 0.427 4.546 4.120 -0.000 0.000 0.298 659 V C -0.116 175.935 176.094 -0.071 0.000 1.028 659 V CA -0.689 61.547 62.300 -0.106 0.000 0.860 659 V CB 1.623 33.401 31.823 -0.075 0.000 0.991 659 V HN 0.092 nan 8.190 nan 0.000 0.427 660 M N 4.962 124.510 119.600 -0.086 0.000 2.409 660 M HA 0.495 4.974 4.480 -0.000 0.000 0.329 660 M C -2.658 173.651 176.300 0.015 0.000 1.180 660 M CA -2.750 52.532 55.300 -0.029 0.000 1.053 660 M CB 1.154 33.737 32.600 -0.028 0.000 1.586 660 M HN 0.240 nan 8.290 nan 0.000 0.461 661 P HA 0.206 nan 4.420 nan 0.000 0.267 661 P C 0.688 178.038 177.300 0.083 0.000 1.209 661 P CA 0.879 64.025 63.100 0.075 0.000 0.763 661 P CB 0.352 32.114 31.700 0.104 0.000 0.816 662 G N 1.954 110.795 108.800 0.068 0.000 2.179 662 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 662 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 662 G C 0.039 174.966 174.900 0.045 0.000 0.990 662 G CA -0.405 44.735 45.100 0.065 0.000 0.646 662 G HN 0.515 nan 8.290 nan 0.000 0.517 663 E N -0.216 120.000 120.200 0.026 0.000 2.280 663 E HA 0.715 5.065 4.350 -0.000 0.000 0.264 663 E C -0.012 176.587 176.600 -0.002 0.000 1.064 663 E CA -0.572 55.829 56.400 0.002 0.000 0.900 663 E CB 1.361 31.039 29.700 -0.037 0.000 1.123 663 E HN 0.282 nan 8.360 nan 0.000 0.418 664 M N 2.086 121.680 119.600 -0.010 0.000 2.395 664 M HA 0.398 4.878 4.480 -0.000 0.000 0.307 664 M C -1.576 174.713 176.300 -0.019 0.000 1.091 664 M CA -0.585 54.710 55.300 -0.007 0.000 0.919 664 M CB 1.328 33.928 32.600 0.000 0.000 1.662 664 M HN 0.460 nan 8.290 nan 0.000 0.440 665 I N 4.496 125.057 120.570 -0.015 0.000 2.301 665 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 665 I C 0.394 176.505 176.117 -0.010 0.000 1.046 665 I CA -0.095 61.193 61.300 -0.019 0.000 1.282 665 I CB 1.098 39.088 38.000 -0.016 0.000 1.409 665 I HN 0.760 nan 8.210 nan 0.000 0.484 666 T N 1.333 115.879 114.554 -0.014 0.000 2.735 666 T HA 0.343 4.693 4.350 -0.000 0.000 0.262 666 T C 0.895 175.590 174.700 -0.007 0.000 0.955 666 T CA -0.669 61.426 62.100 -0.007 0.000 1.022 666 T CB 1.155 70.019 68.868 -0.007 0.000 1.455 666 T HN 0.356 nan 8.240 nan 0.000 0.583 667 E N 0.288 120.485 120.200 -0.004 0.000 2.216 667 E HA -0.049 4.300 4.350 -0.000 0.000 0.192 667 E C 1.848 178.444 176.600 -0.006 0.000 0.988 667 E CA 0.710 57.108 56.400 -0.003 0.000 0.834 667 E CB -0.131 29.569 29.700 -0.000 0.000 0.772 667 E HN 0.796 nan 8.360 nan 0.000 0.479 668 E N 1.021 121.215 120.200 -0.010 0.000 2.107 668 E HA -0.083 4.266 4.350 -0.000 0.000 0.191 668 E C 0.427 177.013 176.600 -0.024 0.000 0.982 668 E CA 0.968 57.359 56.400 -0.014 0.000 0.809 668 E CB 0.258 29.949 29.700 -0.015 0.000 0.756 668 E HN 0.074 nan 8.360 nan 0.000 0.459 669 S N -0.099 115.583 115.700 -0.030 0.000 2.460 669 S HA 0.316 4.786 4.470 -0.000 0.000 0.211 669 S C 0.556 175.133 174.600 -0.037 0.000 1.312 669 S CA -0.721 57.451 58.200 -0.047 0.000 1.256 669 S CB 0.965 64.126 63.200 -0.065 0.000 1.086 669 S HN 0.144 nan 8.310 nan 0.000 0.507 670 R N 1.754 122.240 120.500 -0.022 0.000 2.100 670 R HA 0.191 4.531 4.340 -0.000 0.000 0.220 670 R C -1.269 175.030 176.300 -0.000 0.000 1.091 670 R CA 0.200 56.295 56.100 -0.008 0.000 0.986 670 R CB -0.940 29.360 30.300 0.001 0.000 0.888 670 R HN 0.359 nan 8.270 nan 0.000 0.444 671 P HA -0.076 nan 4.420 nan 0.000 0.231 671 P C 0.855 178.158 177.300 0.005 0.000 1.158 671 P CA 0.719 63.826 63.100 0.010 0.000 0.763 671 P CB 0.158 31.856 31.700 -0.004 0.000 0.805 672 V N -0.537 119.354 119.914 -0.038 0.000 2.270 672 V HA -0.187 3.932 4.120 -0.000 0.000 0.245 672 V C 2.216 178.327 176.094 0.029 0.000 1.043 672 V CA 1.495 63.758 62.300 -0.061 0.000 1.014 672 V CB -1.052 30.702 31.823 -0.116 0.000 0.645 672 V HN 0.085 nan 8.190 nan 0.000 0.447 673 L N 0.094 121.327 121.223 0.018 0.000 2.179 673 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 673 L C 2.301 179.198 176.870 0.045 0.000 1.096 673 L CA 1.671 56.526 54.840 0.026 0.000 0.779 673 L CB -0.716 41.353 42.059 0.017 0.000 0.922 673 L HN 0.359 nan 8.230 nan 0.000 0.443 674 E N -1.317 118.922 120.200 0.064 0.000 2.204 674 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 674 E C 1.961 178.633 176.600 0.121 0.000 0.990 674 E CA 1.359 57.806 56.400 0.079 0.000 0.821 674 E CB -0.230 29.516 29.700 0.076 0.000 0.750 674 E HN 0.585 nan 8.360 nan 0.000 0.477 675 F N 0.788 120.729 119.950 -0.015 0.000 2.234 675 F HA -0.062 4.465 4.527 -0.000 0.000 0.296 675 F C 1.807 177.596 175.800 -0.018 0.000 1.089 675 F CA 0.813 58.808 58.000 -0.009 0.000 1.343 675 F CB 0.179 39.159 39.000 -0.034 0.000 1.040 675 F HN -0.102 nan 8.300 nan 0.000 0.498 676 L N -0.041 121.086 121.223 -0.160 0.000 2.131 676 L HA -0.133 4.206 4.340 -0.000 0.000 0.206 676 L C 2.351 179.106 176.870 -0.191 0.000 1.087 676 L CA 1.038 55.722 54.840 -0.261 0.000 0.767 676 L CB -0.685 41.302 42.059 -0.119 0.000 0.917 676 L HN 0.164 nan 8.230 nan 0.000 0.441 677 Q N -0.685 119.067 119.800 -0.080 0.000 2.167 677 Q HA -0.184 4.155 4.340 -0.000 0.000 0.202 677 Q C 2.270 178.256 176.000 -0.023 0.000 0.970 677 Q CA 1.211 57.001 55.803 -0.022 0.000 0.855 677 Q CB -0.095 28.658 28.738 0.024 0.000 0.911 677 Q HN 0.421 nan 8.270 nan 0.000 0.438 678 M N 0.418 119.993 119.600 -0.041 0.000 2.254 678 M HA -0.102 4.377 4.480 -0.000 0.000 0.265 678 M C 1.629 177.845 176.300 -0.139 0.000 1.066 678 M CA 1.391 56.689 55.300 -0.003 0.000 1.123 678 M CB -0.065 32.570 32.600 0.058 0.000 1.388 678 M HN 0.272 nan 8.290 nan 0.000 0.425 679 L N -0.658 120.414 121.223 -0.252 0.000 2.156 679 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 679 L C 2.739 179.504 176.870 -0.174 0.000 1.095 679 L CA 0.704 55.380 54.840 -0.273 0.000 0.770 679 L CB -0.723 41.087 42.059 -0.415 0.000 0.914 679 L HN 0.458 nan 8.230 nan 0.000 0.439 680 C N 0.227 119.451 119.300 -0.126 0.000 2.432 680 C HA -0.100 4.360 4.460 -0.000 0.000 0.280 680 C C 2.542 177.540 174.990 0.013 0.000 1.353 680 C CA 0.866 59.884 59.018 0.001 0.000 1.766 680 C CB -0.550 27.237 27.740 0.077 0.000 1.924 680 C HN 0.515 nan 8.230 nan 0.000 0.509 681 E N -0.055 120.131 120.200 -0.024 0.000 2.075 681 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 681 E C 1.985 178.530 176.600 -0.092 0.000 0.969 681 E CA 0.900 57.289 56.400 -0.017 0.000 0.815 681 E CB -0.184 29.609 29.700 0.154 0.000 0.776 681 E HN 0.676 nan 8.360 nan 0.000 0.457 682 I N 0.705 121.161 120.570 -0.188 0.000 2.546 682 I HA -0.080 4.090 4.170 -0.000 0.000 0.255 682 I C 1.745 177.923 176.117 0.103 0.000 1.163 682 I CA 0.858 62.099 61.300 -0.098 0.000 1.457 682 I CB 0.167 37.959 38.000 -0.347 0.000 1.092 682 I HN 0.062 nan 8.210 nan 0.000 0.434 683 G N -0.493 108.322 108.800 0.026 0.000 3.233 683 G HA2 0.244 4.204 3.960 -0.000 0.000 0.227 683 G HA3 0.244 4.204 3.960 -0.000 0.000 0.227 683 G C 1.061 176.001 174.900 0.066 0.000 1.175 683 G CA 0.469 45.618 45.100 0.082 0.000 0.781 683 G HN 0.464 nan 8.290 nan 0.000 0.542 684 A N -0.510 122.294 122.820 -0.028 0.000 2.343 684 A HA 0.356 4.676 4.320 -0.000 0.000 0.223 684 A C 1.534 179.008 177.584 -0.183 0.000 1.214 684 A CA 0.228 52.200 52.037 -0.109 0.000 0.900 684 A CB -0.017 18.889 19.000 -0.157 0.000 0.942 684 A HN 0.381 nan 8.150 nan 0.000 0.507 685 H N -1.604 117.441 119.070 -0.040 0.000 2.307 685 H HA 0.102 4.657 4.556 -0.000 0.000 0.303 685 H C -0.319 174.773 175.328 -0.394 0.000 1.073 685 H CA 1.764 57.692 56.048 -0.200 0.000 1.338 685 H CB -0.042 29.614 29.762 -0.175 0.000 1.389 685 H HN 0.502 nan 8.280 nan 0.000 0.503 686 Y N 0.143 120.537 120.300 0.157 0.000 2.364 686 Y HA 0.318 4.868 4.550 -0.000 0.000 0.340 686 Y C -2.256 173.705 175.900 0.101 0.000 0.975 686 Y CA -3.287 54.867 58.100 0.090 0.000 1.089 686 Y CB 1.277 39.949 38.460 0.352 0.000 1.192 686 Y HN -0.007 nan 8.280 nan 0.000 0.454 687 P HA 0.176 nan 4.420 nan 0.000 0.271 687 P C 0.801 178.161 177.300 0.099 0.000 1.216 687 P CA 1.094 64.215 63.100 0.035 0.000 0.776 687 P CB 0.945 32.604 31.700 -0.067 0.000 0.881 688 G N 1.717 110.489 108.800 -0.048 0.000 2.317 688 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.227 688 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.227 688 G C 0.209 174.884 174.900 -0.374 0.000 1.042 688 G CA -0.361 44.577 45.100 -0.271 0.000 0.623 688 G HN 0.434 nan 8.290 nan 0.000 0.509 689 F N 3.148 123.142 119.950 0.074 0.000 2.759 689 F HA 0.610 5.137 4.527 -0.000 0.000 0.322 689 F C 0.821 176.654 175.800 0.056 0.000 1.199 689 F CA -0.574 57.465 58.000 0.066 0.000 1.272 689 F CB 0.307 39.367 39.000 0.100 0.000 1.467 689 F HN 0.066 nan 8.300 nan 0.000 0.561 690 E N 0.010 120.281 120.200 0.119 0.000 2.392 690 E HA 0.165 4.515 4.350 -0.000 0.000 0.256 690 E C 0.278 176.928 176.600 0.084 0.000 1.145 690 E CA -0.015 56.440 56.400 0.092 0.000 0.929 690 E CB 0.436 30.164 29.700 0.047 0.000 0.998 690 E HN 0.111 nan 8.360 nan 0.000 0.442 691 T N 1.678 116.283 114.554 0.085 0.000 2.814 691 T HA 0.129 4.478 4.350 -0.000 0.000 0.297 691 T C -0.486 174.198 174.700 -0.027 0.000 0.956 691 T CA -0.233 61.870 62.100 0.005 0.000 1.123 691 T CB 0.269 69.103 68.868 -0.056 0.000 0.902 691 T HN 0.262 nan 8.240 nan 0.000 0.528 692 D N 3.571 123.944 120.400 -0.044 0.000 2.477 692 D HA 0.386 5.025 4.640 -0.000 0.000 0.239 692 D C -0.710 175.583 176.300 -0.011 0.000 1.102 692 D CA -0.468 53.508 54.000 -0.041 0.000 0.901 692 D CB 0.012 40.807 40.800 -0.009 0.000 1.026 692 D HN 0.428 nan 8.370 nan 0.000 0.515 693 I N 3.347 123.824 120.570 -0.155 0.000 2.447 693 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 693 I C 0.071 176.102 176.117 -0.144 0.000 1.023 693 I CA -0.866 60.360 61.300 -0.122 0.000 1.083 693 I CB 1.686 39.509 38.000 -0.295 0.000 1.245 693 I HN 0.213 nan 8.210 nan 0.000 0.434 694 H N 4.772 123.849 119.070 0.012 0.000 2.580 694 H HA 0.316 4.872 4.556 -0.000 0.000 0.322 694 H C 0.997 176.280 175.328 -0.074 0.000 1.082 694 H CA 0.936 56.977 56.048 -0.012 0.000 1.383 694 H CB 1.722 31.517 29.762 0.054 0.000 1.450 694 H HN 0.987 nan 8.280 nan 0.000 0.505 695 G N 2.123 110.881 108.800 -0.071 0.000 2.345 695 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 695 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 695 G C 0.429 175.100 174.900 -0.382 0.000 1.058 695 G CA -0.050 44.956 45.100 -0.157 0.000 0.632 695 G HN 0.882 nan 8.290 nan 0.000 0.508 696 A N -0.210 122.439 122.820 -0.286 0.000 2.286 696 A HA 0.782 5.102 4.320 -0.000 0.000 0.286 696 A C -0.651 176.765 177.584 -0.280 0.000 1.097 696 A CA -0.211 51.715 52.037 -0.185 0.000 0.821 696 A CB 0.482 19.483 19.000 0.002 0.000 1.076 696 A HN 0.835 nan 8.150 nan 0.000 0.490 697 Y N 0.057 120.471 120.300 0.190 0.000 2.350 697 Y HA 0.476 5.026 4.550 -0.000 0.000 0.338 697 Y C 0.526 176.327 175.900 -0.164 0.000 0.961 697 Y CA -0.557 57.572 58.100 0.048 0.000 1.100 697 Y CB 1.505 39.952 38.460 -0.022 0.000 1.179 697 Y HN 0.730 nan 8.280 nan 0.000 0.454 698 R N 3.640 123.999 120.500 -0.235 0.000 2.288 698 R HA 0.161 4.501 4.340 -0.000 0.000 0.330 698 R C -0.293 175.831 176.300 -0.295 0.000 1.069 698 R CA -0.292 55.409 56.100 -0.666 0.000 0.941 698 R CB 0.386 30.338 30.300 -0.579 0.000 0.998 698 R HN 0.702 nan 8.270 nan 0.000 0.452 699 Q N 1.952 121.588 119.800 -0.274 0.000 2.189 699 Q HA 0.186 4.526 4.340 -0.000 0.000 0.193 699 Q C 0.962 176.894 176.000 -0.115 0.000 1.034 699 Q CA 0.186 55.901 55.803 -0.147 0.000 1.062 699 Q CB 0.682 29.348 28.738 -0.120 0.000 1.118 699 Q HN 0.746 nan 8.270 nan 0.000 0.569 700 A N 0.696 123.475 122.820 -0.068 0.000 2.015 700 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 700 A C 1.313 178.874 177.584 -0.037 0.000 1.163 700 A CA 1.894 53.902 52.037 -0.048 0.000 0.646 700 A CB -0.343 18.638 19.000 -0.031 0.000 0.806 700 A HN 0.758 nan 8.150 nan 0.000 0.448 701 D N -2.530 117.857 120.400 -0.020 0.000 2.240 701 D HA 0.218 4.858 4.640 -0.000 0.000 0.206 701 D C 1.347 177.635 176.300 -0.020 0.000 0.963 701 D CA 1.494 55.493 54.000 -0.003 0.000 0.863 701 D CB -0.280 40.544 40.800 0.040 0.000 0.973 701 D HN 0.709 nan 8.370 nan 0.000 0.501 702 G N 0.217 108.987 108.800 -0.050 0.000 2.545 702 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.195 702 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.195 702 G C 0.306 175.168 174.900 -0.063 0.000 1.009 702 G CA -0.347 44.711 45.100 -0.071 0.000 0.703 702 G HN 0.330 nan 8.290 nan 0.000 0.479 703 R N -0.043 120.465 120.500 0.013 0.000 2.490 703 R HA 0.556 4.896 4.340 -0.000 0.000 0.278 703 R C -0.615 175.703 176.300 0.030 0.000 1.069 703 R CA -0.367 55.799 56.100 0.110 0.000 1.080 703 R CB 0.532 30.966 30.300 0.224 0.000 1.030 703 R HN 0.264 nan 8.270 nan 0.000 0.491 704 Y N 0.443 120.778 120.300 0.057 0.000 2.308 704 Y HA 0.156 4.706 4.550 -0.000 0.000 0.329 704 Y C 0.695 176.597 175.900 0.004 0.000 1.111 704 Y CA -0.025 58.089 58.100 0.023 0.000 1.179 704 Y CB 1.716 40.177 38.460 0.001 0.000 1.201 704 Y HN 0.509 nan 8.280 nan 0.000 0.483 705 T N 1.005 115.614 114.554 0.092 0.000 2.792 705 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 705 T C -0.546 174.243 174.700 0.149 0.000 0.990 705 T CA -0.944 61.149 62.100 -0.012 0.000 0.960 705 T CB 0.429 69.141 68.868 -0.260 0.000 0.939 705 T HN 0.490 nan 8.240 nan 0.000 0.439 706 V N 0.590 120.571 119.914 0.112 0.000 2.837 706 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 706 V C 0.140 176.317 176.094 0.138 0.000 1.059 706 V CA -1.169 61.218 62.300 0.144 0.000 1.004 706 V CB 1.260 33.134 31.823 0.085 0.000 1.045 706 V HN 1.027 nan 8.190 nan 0.000 0.465 707 K N 2.521 123.031 120.400 0.183 0.000 2.347 707 K HA 0.594 4.914 4.320 -0.000 0.000 0.262 707 K C -0.446 176.210 176.600 0.094 0.000 1.052 707 K CA -0.521 55.845 56.287 0.132 0.000 0.946 707 K CB 1.130 33.737 32.500 0.178 0.000 1.220 707 K HN 0.900 nan 8.250 nan 0.000 0.450 708 V N 1.359 121.311 119.914 0.062 0.000 3.438 708 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 708 V C 0.169 176.285 176.094 0.038 0.000 1.148 708 V CA -1.158 61.172 62.300 0.050 0.000 0.994 708 V CB 0.696 32.545 31.823 0.042 0.000 1.236 708 V HN 0.510 nan 8.190 nan 0.000 0.455 709 L N 0.416 121.657 121.223 0.031 0.000 2.439 709 L HA 0.461 4.801 4.340 -0.000 0.000 0.261 709 L C 0.582 177.460 176.870 0.013 0.000 1.153 709 L CA -0.460 54.392 54.840 0.020 0.000 0.808 709 L CB 0.559 42.629 42.059 0.017 0.000 1.126 709 L HN 0.658 nan 8.230 nan 0.000 0.460 710 K N 0.807 121.209 120.400 0.005 0.000 2.107 710 K HA 0.355 4.675 4.320 -0.000 0.000 0.251 710 K C -0.585 176.014 176.600 -0.001 0.000 1.012 710 K CA -0.477 55.811 56.287 0.001 0.000 0.920 710 K CB 0.912 33.410 32.500 -0.004 0.000 1.033 710 K HN 0.517 nan 8.250 nan 0.000 0.478 711 E N 0.000 120.200 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