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 3dp8_1_C DATA FIRST_RESID 4 DATA SEQUENCE DEITTAWPVN VGPLNPHLYT PNQMFAQSMV YEPLVKYQAD GSVIPWLAKS DATA SEQUENCE WTHSEDGKTW TFTLRDDVKF SNGEPFDAEA AAENFRAVLD NRQRHAWLEL DATA SEQUENCE ANQIVDVKAL SKTELQITLK SAYYPFLQEL ALPRPFRFIA PSQFKNHETM DATA SEQUENCE NGIKAPIGTG PWILQESKLN QYDVFVRNEN YWGEKPAIKK ITFNVIPDPT DATA SEQUENCE TRAVAFETGD IDLLYGNEGL LPLDTFARFS QNPAYHTQLS QPIETVMLAL DATA SEQUENCE NTAKAPTNEL AVREALNYAV NKKSLIDNAL YGTQQVADTL FAPSVPYANL DATA SEQUENCE GLKPSQYDPQ KAKALLEKAG WTLPAGKDIR EKNGQPLRIE LSFIGTDALS DATA SEQUENCE KSMAEIIQAD MRQIGADVSL IGEEESSIYA RQRDGRFGMI FHRTWGAPYD DATA SEQUENCE PHAFLSSMRV PSHADFQAQQ GLADKPLIDK EIGEVLATHD ETQRQALYRD DATA SEQUENCE ILTRLHDEAV YLPISYISMM VVSKPELGNI PYAPIATEIP FEQIKP 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.318 176.300 0.030 0.000 2.045 4 D CA 0.000 54.014 54.000 0.023 0.000 0.868 4 D CB 0.000 40.813 40.800 0.021 0.000 0.688 5 E N 0.502 120.711 120.200 0.014 0.000 2.304 5 E HA 0.476 4.826 4.350 0.000 0.000 0.277 5 E C -0.929 175.656 176.600 -0.025 0.000 0.898 5 E CA -0.637 55.763 56.400 0.001 0.000 0.764 5 E CB 2.581 32.279 29.700 -0.003 0.000 1.216 5 E HN 0.079 nan 8.360 nan 0.000 0.419 6 I N 2.304 122.836 120.570 -0.064 0.000 2.354 6 I HA 0.243 4.413 4.170 0.000 0.000 0.292 6 I C 0.147 176.178 176.117 -0.145 0.000 0.989 6 I CA -0.511 60.735 61.300 -0.089 0.000 1.188 6 I CB 1.595 39.533 38.000 -0.103 0.000 1.342 6 I HN 0.457 nan 8.210 nan 0.000 0.457 7 T N 1.889 116.383 114.554 -0.100 0.000 2.794 7 T HA 0.673 5.023 4.350 0.000 0.000 0.280 7 T C -0.109 174.520 174.700 -0.119 0.000 0.987 7 T CA -0.472 61.558 62.100 -0.116 0.000 0.993 7 T CB 1.448 70.286 68.868 -0.050 0.000 0.939 7 T HN 0.567 nan 8.240 nan 0.000 0.449 8 T N 1.620 116.038 114.554 -0.226 0.000 2.773 8 T HA 0.871 5.222 4.350 0.000 0.000 0.278 8 T C -0.540 174.146 174.700 -0.024 0.000 1.011 8 T CA -0.957 61.039 62.100 -0.174 0.000 1.014 8 T CB 1.384 70.004 68.868 -0.412 0.000 1.293 8 T HN 1.102 nan 8.240 nan 0.000 0.554 9 A N 0.206 123.092 122.820 0.109 0.000 2.454 9 A HA 0.763 5.084 4.320 0.000 0.000 0.302 9 A C -2.007 175.852 177.584 0.459 0.000 1.079 9 A CA -0.767 51.416 52.037 0.245 0.000 0.731 9 A CB 1.653 20.755 19.000 0.171 0.000 1.299 9 A HN 0.763 nan 8.150 nan 0.000 0.413 10 W N 3.169 124.600 121.300 0.217 0.000 3.256 10 W HA 0.371 5.031 4.660 0.000 0.000 0.324 10 W C -2.407 174.208 176.519 0.161 0.000 1.196 10 W CA -1.957 55.514 57.345 0.209 0.000 1.206 10 W CB 2.500 32.150 29.460 0.317 0.000 1.385 10 W HN 0.588 nan 8.180 nan 0.000 0.522 11 P HA -0.107 nan 4.420 nan 0.000 0.220 11 P C 0.291 177.603 177.300 0.020 0.000 1.148 11 P CA 1.177 64.186 63.100 -0.152 0.000 0.803 11 P CB 1.213 32.728 31.700 -0.308 0.000 0.782 12 V N -0.288 119.719 119.914 0.155 0.000 3.074 12 V HA 0.302 4.422 4.120 0.000 0.000 0.314 12 V C 0.260 176.573 176.094 0.364 0.000 1.117 12 V CA -1.180 61.266 62.300 0.243 0.000 1.014 12 V CB 2.178 34.121 31.823 0.199 0.000 1.057 12 V HN -0.094 nan 8.190 nan 0.000 0.438 13 N N 1.034 119.858 118.700 0.207 0.000 2.297 13 N HA 0.077 4.817 4.740 0.000 0.000 0.232 13 N C 0.879 176.463 175.510 0.123 0.000 1.311 13 N CA 0.157 53.297 53.050 0.149 0.000 0.897 13 N CB 1.564 40.085 38.487 0.056 0.000 1.137 13 N HN 0.433 nan 8.380 nan 0.000 0.449 14 V N 0.544 120.471 119.914 0.021 0.000 2.809 14 V HA 0.012 4.132 4.120 0.000 0.000 0.256 14 V C 1.245 177.267 176.094 -0.121 0.000 1.080 14 V CA 1.312 63.541 62.300 -0.119 0.000 1.102 14 V CB -1.291 30.427 31.823 -0.175 0.000 0.705 14 V HN 1.011 nan 8.190 nan 0.000 0.475 15 G N 0.088 108.847 108.800 -0.067 0.000 2.795 15 G HA2 -0.155 3.806 3.960 0.000 0.000 0.664 15 G HA3 -0.155 3.806 3.960 0.000 0.000 0.664 15 G C -1.214 173.638 174.900 -0.080 0.000 1.381 15 G CA -0.264 44.795 45.100 -0.068 0.000 0.853 15 G HN 0.199 nan 8.290 nan 0.000 0.545 16 P HA -0.130 nan 4.420 nan 0.000 0.218 16 P C 1.438 178.708 177.300 -0.050 0.000 1.152 16 P CA 1.971 65.035 63.100 -0.059 0.000 0.857 16 P CB 0.082 31.749 31.700 -0.056 0.000 0.787 17 L N -3.270 117.921 121.223 -0.054 0.000 4.053 17 L HA -0.105 4.235 4.340 0.000 0.000 0.396 17 L C 0.003 176.885 176.870 0.020 0.000 1.163 17 L CA 0.027 54.873 54.840 0.010 0.000 0.912 17 L CB -2.144 39.946 42.059 0.053 0.000 2.121 17 L HN 0.214 nan 8.230 nan 0.000 0.674 18 N N 2.776 121.411 118.700 -0.109 0.000 2.452 18 N HA 0.169 4.909 4.740 0.000 0.000 0.266 18 N C -1.068 174.194 175.510 -0.414 0.000 1.175 18 N CA -1.039 51.873 53.050 -0.230 0.000 0.945 18 N CB 1.228 39.607 38.487 -0.180 0.000 1.063 18 N HN 0.163 nan 8.380 nan 0.000 0.472 19 P HA -0.045 nan 4.420 nan 0.000 0.233 19 P C 0.031 176.983 177.300 -0.580 0.000 1.167 19 P CA 1.101 63.626 63.100 -0.959 0.000 0.770 19 P CB 0.325 31.081 31.700 -1.575 0.000 0.837 20 H N -1.678 117.131 119.070 -0.436 0.000 2.755 20 H HA 0.385 4.941 4.556 0.001 0.000 0.273 20 H C 0.990 176.160 175.328 -0.263 0.000 1.055 20 H CA -0.245 55.583 56.048 -0.366 0.000 1.191 20 H CB 0.434 30.023 29.762 -0.289 0.000 1.536 20 H HN 0.145 nan 8.280 nan 0.000 0.529 21 L N -0.853 120.232 121.223 -0.231 0.000 2.235 21 L HA 0.339 4.679 4.340 0.000 0.000 0.260 21 L C -0.066 176.533 176.870 -0.452 0.000 1.025 21 L CA -1.042 53.684 54.840 -0.191 0.000 0.836 21 L CB 1.360 43.396 42.059 -0.038 0.000 1.395 21 L HN -0.095 nan 8.230 nan 0.000 0.443 22 Y N -1.076 119.172 120.300 -0.086 0.000 3.288 22 Y HA 0.261 4.811 4.550 0.000 0.000 0.346 22 Y C 0.912 176.705 175.900 -0.179 0.000 1.333 22 Y CA -0.493 57.522 58.100 -0.141 0.000 0.853 22 Y CB -0.347 38.023 38.460 -0.151 0.000 1.155 22 Y HN 0.516 nan 8.280 nan 0.000 0.862 23 T N 0.908 115.418 114.554 -0.073 0.000 2.940 23 T HA 0.112 4.462 4.350 0.000 0.000 0.309 23 T C -1.991 172.657 174.700 -0.086 0.000 1.056 23 T CA -1.101 60.902 62.100 -0.163 0.000 1.137 23 T CB 0.658 69.341 68.868 -0.309 0.000 0.976 23 T HN 0.334 nan 8.240 nan 0.000 0.547 24 P HA 0.156 nan 4.420 nan 0.000 0.257 24 P C -0.293 176.959 177.300 -0.080 0.000 1.325 24 P CA -0.465 62.593 63.100 -0.070 0.000 0.850 24 P CB 0.044 31.723 31.700 -0.035 0.000 1.324 25 N N 2.448 121.083 118.700 -0.109 0.000 2.429 25 N HA 0.003 4.744 4.740 0.000 0.000 0.271 25 N C 0.184 175.592 175.510 -0.170 0.000 1.272 25 N CA 0.427 53.389 53.050 -0.146 0.000 0.921 25 N CB 0.489 38.874 38.487 -0.171 0.000 1.128 25 N HN 0.227 nan 8.380 nan 0.000 0.481 26 Q N 2.597 122.268 119.800 -0.216 0.000 2.286 26 Q HA 0.059 4.399 4.340 0.000 0.000 0.267 26 Q C 1.201 176.936 176.000 -0.441 0.000 1.028 26 Q CA 0.006 55.644 55.803 -0.275 0.000 0.901 26 Q CB 1.212 29.731 28.738 -0.365 0.000 1.183 26 Q HN 0.588 nan 8.270 nan 0.000 0.392 27 M N 2.492 121.951 119.600 -0.235 0.000 2.108 27 M HA -0.225 4.256 4.480 0.000 0.000 0.261 27 M C 1.530 177.692 176.300 -0.231 0.000 1.066 27 M CA 1.864 57.053 55.300 -0.185 0.000 1.107 27 M CB -0.201 32.359 32.600 -0.066 0.000 1.356 27 M HN 0.707 nan 8.290 nan 0.000 0.406 28 F N -0.543 119.292 119.950 -0.192 0.000 2.161 28 F HA -0.070 4.457 4.527 0.001 0.000 0.300 28 F C 2.071 177.726 175.800 -0.241 0.000 1.089 28 F CA 1.035 58.895 58.000 -0.234 0.000 1.282 28 F CB -1.333 37.444 39.000 -0.371 0.000 1.010 28 F HN 0.061 nan 8.300 nan 0.000 0.485 29 A N 0.625 122.673 122.820 -1.287 0.000 1.855 29 A HA -0.184 4.136 4.320 0.000 0.000 0.215 29 A C 2.235 179.651 177.584 -0.280 0.000 1.191 29 A CA 1.613 53.157 52.037 -0.822 0.000 0.613 29 A CB -1.137 17.303 19.000 -0.934 0.000 0.829 29 A HN 0.575 nan 8.150 nan 0.000 0.442 30 Q N -0.246 119.426 119.800 -0.213 0.000 2.217 30 Q HA -0.171 4.169 4.340 0.000 0.000 0.209 30 Q C 2.331 178.399 176.000 0.114 0.000 0.988 30 Q CA 1.910 57.747 55.803 0.057 0.000 0.878 30 Q CB -0.205 28.507 28.738 -0.043 0.000 0.909 30 Q HN 0.631 nan 8.270 nan 0.000 0.424 31 S N -0.325 115.375 115.700 -0.001 0.000 2.414 31 S HA 0.012 4.482 4.470 0.000 0.000 0.227 31 S C 1.718 176.356 174.600 0.063 0.000 1.022 31 S CA 0.618 58.843 58.200 0.043 0.000 0.958 31 S CB 0.031 63.247 63.200 0.027 0.000 0.797 31 S HN 0.327 nan 8.310 nan 0.000 0.493 32 M N 0.398 120.012 119.600 0.024 0.000 2.229 32 M HA -0.039 4.442 4.480 0.000 0.000 0.264 32 M C 1.681 178.046 176.300 0.107 0.000 1.063 32 M CA 1.103 56.464 55.300 0.102 0.000 1.114 32 M CB -0.144 32.328 32.600 -0.212 0.000 1.387 32 M HN 0.168 nan 8.290 nan 0.000 0.420 33 V N -2.117 117.789 119.914 -0.014 0.000 2.672 33 V HA -0.015 4.105 4.120 0.000 0.000 0.242 33 V C 0.166 176.068 176.094 -0.319 0.000 1.059 33 V CA 0.649 62.825 62.300 -0.206 0.000 1.081 33 V CB -0.160 31.383 31.823 -0.468 0.000 0.752 33 V HN 0.190 nan 8.190 nan 0.000 0.472 34 Y N 0.382 120.729 120.300 0.078 0.000 2.409 34 Y HA 0.621 5.172 4.550 0.001 0.000 0.339 34 Y C 0.268 176.235 175.900 0.112 0.000 1.033 34 Y CA -0.840 57.313 58.100 0.090 0.000 1.094 34 Y CB 1.187 39.663 38.460 0.027 0.000 1.210 34 Y HN 0.134 nan 8.280 nan 0.000 0.456 35 E N 3.966 124.369 120.200 0.339 0.000 2.281 35 E HA 0.475 4.825 4.350 0.000 0.000 0.262 35 E C -2.726 174.107 176.600 0.388 0.000 0.933 35 E CA -2.297 54.317 56.400 0.357 0.000 0.809 35 E CB 2.185 32.228 29.700 0.572 0.000 1.242 35 E HN 0.266 nan 8.360 nan 0.000 0.418 36 P HA 0.243 nan 4.420 nan 0.000 0.288 36 P C 0.370 177.929 177.300 0.432 0.000 1.297 36 P CA -0.554 62.738 63.100 0.320 0.000 0.864 36 P CB 1.231 32.995 31.700 0.107 0.000 1.237 37 L N -0.798 120.627 121.223 0.336 0.000 2.275 37 L HA 0.086 4.426 4.340 0.000 0.000 0.215 37 L C 1.176 178.192 176.870 0.244 0.000 1.119 37 L CA 1.150 56.117 54.840 0.211 0.000 0.790 37 L CB -0.161 41.853 42.059 -0.075 0.000 0.919 37 L HN 0.157 nan 8.230 nan 0.000 0.443 38 V N -0.365 119.657 119.914 0.181 0.000 2.969 38 V HA 0.327 4.447 4.120 0.000 0.000 0.304 38 V C -1.187 174.965 176.094 0.097 0.000 1.192 38 V CA -0.875 61.521 62.300 0.159 0.000 0.962 38 V CB 2.724 34.483 31.823 -0.108 0.000 1.045 38 V HN 0.020 nan 8.190 nan 0.000 0.428 39 K N 3.713 124.184 120.400 0.117 0.000 2.206 39 K HA 0.496 4.816 4.320 0.000 0.000 0.264 39 K C -1.308 175.320 176.600 0.046 0.000 0.967 39 K CA -0.604 55.649 56.287 -0.057 0.000 0.844 39 K CB 1.263 33.584 32.500 -0.298 0.000 1.099 39 K HN 0.672 nan 8.250 nan 0.000 0.441 40 Y N 2.983 123.234 120.300 -0.082 0.000 2.425 40 Y HA 0.085 4.636 4.550 0.000 0.000 0.331 40 Y C -0.459 175.434 175.900 -0.012 0.000 1.157 40 Y CA 0.328 58.407 58.100 -0.036 0.000 1.372 40 Y CB 0.805 39.240 38.460 -0.041 0.000 1.253 40 Y HN 0.464 nan 8.280 nan 0.000 0.536 41 Q N 4.176 123.497 119.800 -0.798 0.000 2.342 41 Q HA 0.457 4.797 4.340 0.000 0.000 0.267 41 Q C 0.726 176.261 176.000 -0.775 0.000 1.038 41 Q CA -0.031 55.438 55.803 -0.556 0.000 0.832 41 Q CB 2.028 30.608 28.738 -0.262 0.000 1.323 41 Q HN 0.929 nan 8.270 nan 0.000 0.448 42 A N 2.405 125.018 122.820 -0.346 0.000 1.958 42 A HA -0.254 4.066 4.320 0.000 0.000 0.221 42 A C 1.392 178.887 177.584 -0.148 0.000 1.178 42 A CA 2.441 54.373 52.037 -0.175 0.000 0.642 42 A CB -0.452 18.523 19.000 -0.043 0.000 0.816 42 A HN 0.862 nan 8.150 nan 0.000 0.453 43 D N -1.897 118.415 120.400 -0.147 0.000 2.350 43 D HA 0.129 4.769 4.640 0.000 0.000 0.216 43 D C 1.295 177.564 176.300 -0.052 0.000 0.968 43 D CA 1.628 55.585 54.000 -0.072 0.000 0.894 43 D CB -0.458 40.316 40.800 -0.043 0.000 0.909 43 D HN 0.935 nan 8.370 nan 0.000 0.520 44 G N 0.068 108.792 108.800 -0.127 0.000 2.259 44 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 44 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 44 G C 0.500 175.453 174.900 0.088 0.000 1.001 44 G CA 0.498 45.636 45.100 0.064 0.000 0.627 44 G HN 0.815 nan 8.290 nan 0.000 0.501 45 S N -0.752 114.942 115.700 -0.010 0.000 2.652 45 S HA 0.791 5.261 4.470 0.000 0.000 0.267 45 S C 0.066 174.693 174.600 0.044 0.000 1.201 45 S CA 0.089 58.326 58.200 0.061 0.000 0.996 45 S CB 2.211 65.454 63.200 0.073 0.000 1.054 45 S HN 1.299 nan 8.310 nan 0.000 0.561 46 V N 0.833 120.825 119.914 0.129 0.000 2.876 46 V HA 0.662 4.782 4.120 0.000 0.000 0.312 46 V C -0.697 175.541 176.094 0.240 0.000 1.085 46 V CA -1.003 61.388 62.300 0.151 0.000 0.945 46 V CB 1.703 33.598 31.823 0.119 0.000 1.017 46 V HN 0.940 nan 8.190 nan 0.000 0.428 47 I N 2.646 123.372 120.570 0.260 0.000 2.646 47 I HA 0.717 4.888 4.170 0.000 0.000 0.299 47 I C -2.729 173.697 176.117 0.514 0.000 1.036 47 I CA -2.829 58.690 61.300 0.364 0.000 1.074 47 I CB 2.129 40.296 38.000 0.279 0.000 1.258 47 I HN 0.356 nan 8.210 nan 0.000 0.430 48 P HA -0.060 nan 4.420 nan 0.000 0.264 48 P C -0.964 176.704 177.300 0.615 0.000 1.179 48 P CA 0.377 63.848 63.100 0.620 0.000 0.763 48 P CB 0.444 32.352 31.700 0.346 0.000 0.806 49 W N 2.873 124.330 121.300 0.263 0.000 4.444 49 W HA 0.179 4.839 4.660 0.000 0.000 0.635 49 W C 1.358 177.862 176.519 -0.025 0.000 3.433 49 W CA -0.181 57.282 57.345 0.197 0.000 1.129 49 W CB -0.326 29.276 29.460 0.236 0.000 2.158 49 W HN -0.015 nan 8.180 nan 0.000 0.364 50 L N 1.748 123.003 121.223 0.052 0.000 2.450 50 L HA -0.073 4.267 4.340 0.000 0.000 0.225 50 L C 0.792 177.626 176.870 -0.061 0.000 1.145 50 L CA 0.796 55.491 54.840 -0.241 0.000 0.801 50 L CB -0.951 41.056 42.059 -0.087 0.000 0.924 50 L HN 0.086 nan 8.230 nan 0.000 0.447 51 A N -0.751 122.143 122.820 0.123 0.000 2.303 51 A HA 0.347 4.667 4.320 0.000 0.000 0.320 51 A C 0.797 178.535 177.584 0.258 0.000 1.192 51 A CA -0.645 51.539 52.037 0.245 0.000 0.821 51 A CB 1.014 20.273 19.000 0.432 0.000 1.188 51 A HN 0.051 nan 8.150 nan 0.000 0.492 52 K N 0.761 121.253 120.400 0.154 0.000 2.031 52 K HA 0.130 4.450 4.320 0.000 0.000 0.205 52 K C 0.262 176.908 176.600 0.077 0.000 1.049 52 K CA 1.244 57.581 56.287 0.083 0.000 0.939 52 K CB 0.031 32.534 32.500 0.005 0.000 0.717 52 K HN 0.620 nan 8.250 nan 0.000 0.438 53 S N -1.850 113.932 115.700 0.137 0.000 2.655 53 S HA 0.473 4.943 4.470 0.000 0.000 0.266 53 S C -2.142 172.572 174.600 0.189 0.000 1.149 53 S CA -0.918 57.214 58.200 -0.113 0.000 0.818 53 S CB 0.956 63.992 63.200 -0.273 0.000 1.130 53 S HN 0.372 nan 8.310 nan 0.000 0.476 54 W N 0.131 121.464 121.300 0.056 0.000 3.419 54 W HA 0.660 5.320 4.660 0.000 0.000 0.298 54 W C -1.112 175.364 176.519 -0.072 0.000 1.260 54 W CA -0.752 56.559 57.345 -0.057 0.000 1.199 54 W CB -0.083 29.254 29.460 -0.205 0.000 1.349 54 W HN 0.703 nan 8.180 nan 0.000 0.557 55 T N -0.739 113.864 114.554 0.082 0.000 2.924 55 T HA 0.665 5.015 4.350 0.000 0.000 0.291 55 T C -0.598 173.999 174.700 -0.171 0.000 1.045 55 T CA -0.820 61.229 62.100 -0.085 0.000 1.015 55 T CB 1.818 70.584 68.868 -0.170 0.000 1.103 55 T HN 0.901 nan 8.240 nan 0.000 0.496 56 H N -0.235 118.576 119.070 -0.432 0.000 2.670 56 H HA 0.710 5.266 4.556 0.000 0.000 0.361 56 H C 0.047 175.096 175.328 -0.465 0.000 1.169 56 H CA -0.907 54.648 56.048 -0.821 0.000 1.198 56 H CB 1.354 30.070 29.762 -1.744 0.000 1.700 56 H HN 0.766 nan 8.280 nan 0.000 0.542 57 S N 0.879 116.428 115.700 -0.253 0.000 2.484 57 S HA -0.091 4.379 4.470 0.000 0.000 0.256 57 S C 1.253 175.819 174.600 -0.057 0.000 1.223 57 S CA -0.164 57.952 58.200 -0.140 0.000 1.002 57 S CB 0.462 63.603 63.200 -0.098 0.000 1.043 57 S HN 0.765 nan 8.310 nan 0.000 0.517 58 E N 0.665 120.837 120.200 -0.046 0.000 2.097 58 E HA -0.114 4.237 4.350 0.000 0.000 0.196 58 E C 0.905 177.504 176.600 -0.003 0.000 1.000 58 E CA 2.166 58.552 56.400 -0.023 0.000 0.804 58 E CB -0.181 29.502 29.700 -0.028 0.000 0.740 58 E HN 0.785 nan 8.360 nan 0.000 0.454 59 D N -3.749 116.638 120.400 -0.022 0.000 1.068 59 D HA 0.023 4.663 4.640 0.000 0.000 0.853 59 D C 0.222 176.509 176.300 -0.022 0.000 0.459 59 D CA 0.858 54.842 54.000 -0.027 0.000 1.343 59 D CB -0.539 40.242 40.800 -0.033 0.000 1.269 59 D HN 0.089 nan 8.370 nan 0.000 0.405 60 G N 1.555 110.333 108.800 -0.037 0.000 3.286 60 G HA2 0.353 4.313 3.960 0.000 0.000 0.303 60 G HA3 0.353 4.313 3.960 0.000 0.000 0.303 60 G C 0.550 175.472 174.900 0.037 0.000 0.974 60 G CA -0.277 44.742 45.100 -0.135 0.000 1.635 60 G HN 0.086 nan 8.290 nan 0.000 0.535 61 K N 0.368 120.800 120.400 0.055 0.000 2.284 61 K HA 0.042 4.362 4.320 0.000 0.000 0.198 61 K C 1.238 177.952 176.600 0.190 0.000 1.048 61 K CA 0.577 56.948 56.287 0.141 0.000 0.987 61 K CB 0.464 33.000 32.500 0.060 0.000 0.800 61 K HN 0.506 nan 8.250 nan 0.000 0.486 62 T N -1.081 113.525 114.554 0.086 0.000 2.797 62 T HA 0.448 4.798 4.350 0.000 0.000 0.279 62 T C -1.151 173.599 174.700 0.083 0.000 0.991 62 T CA -0.810 61.365 62.100 0.124 0.000 0.979 62 T CB 0.686 69.578 68.868 0.040 0.000 0.943 62 T HN 0.045 nan 8.240 nan 0.000 0.444 63 W N 1.669 122.963 121.300 -0.011 0.000 2.844 63 W HA 0.618 5.278 4.660 0.000 0.000 0.340 63 W C -0.555 175.913 176.519 -0.085 0.000 1.093 63 W CA -0.672 56.651 57.345 -0.036 0.000 1.212 63 W CB 2.149 31.611 29.460 0.003 0.000 1.422 63 W HN 0.787 nan 8.180 nan 0.000 0.515 64 T N 1.607 116.175 114.554 0.024 0.000 2.879 64 T HA 0.598 4.948 4.350 0.000 0.000 0.290 64 T C -1.233 173.465 174.700 -0.003 0.000 0.993 64 T CA -0.660 61.472 62.100 0.052 0.000 0.975 64 T CB 0.725 69.629 68.868 0.059 0.000 0.981 64 T HN 0.052 nan 8.240 nan 0.000 0.439 65 F N 2.381 122.489 119.950 0.263 0.000 2.426 65 F HA 0.468 4.995 4.527 0.000 0.000 0.348 65 F C 1.173 177.082 175.800 0.180 0.000 1.124 65 F CA -0.909 57.269 58.000 0.296 0.000 1.008 65 F CB 1.566 40.720 39.000 0.258 0.000 1.139 65 F HN 0.554 nan 8.300 nan 0.000 0.452 66 T N 2.993 117.732 114.554 0.307 0.000 2.806 66 T HA 0.442 4.792 4.350 0.000 0.000 0.290 66 T C 0.544 175.344 174.700 0.166 0.000 0.966 66 T CA -1.004 61.200 62.100 0.174 0.000 1.060 66 T CB 0.842 69.762 68.868 0.086 0.000 0.927 66 T HN 0.278 nan 8.240 nan 0.000 0.485 67 L N 2.357 123.629 121.223 0.081 0.000 2.289 67 L HA 0.098 4.438 4.340 0.000 0.000 0.242 67 L C 1.385 178.246 176.870 -0.014 0.000 1.254 67 L CA 0.716 55.562 54.840 0.012 0.000 0.809 67 L CB -0.527 41.501 42.059 -0.052 0.000 1.079 67 L HN 0.901 nan 8.230 nan 0.000 0.636 68 R N -0.326 120.124 120.500 -0.085 0.000 4.027 68 R HA -0.190 4.150 4.340 0.000 0.000 0.399 68 R C -0.040 176.215 176.300 -0.076 0.000 0.241 68 R CA 0.873 56.902 56.100 -0.119 0.000 1.278 68 R CB -1.352 28.865 30.300 -0.138 0.000 1.114 68 R HN 0.920 nan 8.270 nan 0.000 0.507 69 D N -0.371 119.989 120.400 -0.066 0.000 2.772 69 D HA 0.194 4.835 4.640 0.000 0.000 0.272 69 D C 0.263 176.530 176.300 -0.055 0.000 1.314 69 D CA 0.177 54.141 54.000 -0.060 0.000 0.835 69 D CB -0.371 40.403 40.800 -0.042 0.000 1.080 69 D HN 0.592 nan 8.370 nan 0.000 0.482 70 D N -1.081 119.268 120.400 -0.086 0.000 2.388 70 D HA 0.087 4.727 4.640 0.000 0.000 0.221 70 D C -0.324 175.938 176.300 -0.063 0.000 1.133 70 D CA -0.449 53.514 54.000 -0.062 0.000 0.831 70 D CB 0.444 41.214 40.800 -0.049 0.000 0.962 70 D HN -0.037 nan 8.370 nan 0.000 0.502 71 V N 0.817 120.678 119.914 -0.089 0.000 2.439 71 V HA 0.322 4.443 4.120 0.000 0.000 0.282 71 V C 0.129 176.240 176.094 0.028 0.000 1.039 71 V CA -0.582 61.656 62.300 -0.104 0.000 0.913 71 V CB 1.526 33.140 31.823 -0.348 0.000 0.983 71 V HN 0.126 nan 8.190 nan 0.000 0.460 72 K N 4.012 124.436 120.400 0.041 0.000 2.378 72 K HA 0.541 4.861 4.320 0.000 0.000 0.252 72 K C -0.780 175.873 176.600 0.089 0.000 0.931 72 K CA -0.648 55.707 56.287 0.113 0.000 0.794 72 K CB 2.220 34.794 32.500 0.124 0.000 1.181 72 K HN 0.348 nan 8.250 nan 0.000 0.425 73 F N 0.806 120.832 119.950 0.128 0.000 2.587 73 F HA -0.158 4.369 4.527 0.000 0.000 0.319 73 F C 2.183 178.038 175.800 0.090 0.000 1.253 73 F CA 0.784 58.851 58.000 0.111 0.000 1.345 73 F CB 0.415 39.488 39.000 0.121 0.000 1.172 73 F HN 0.646 nan 8.300 nan 0.000 0.588 74 S N -0.372 115.507 115.700 0.298 0.000 2.527 74 S HA -0.108 4.362 4.470 0.000 0.000 0.222 74 S C 1.254 175.934 174.600 0.134 0.000 0.985 74 S CA 0.660 58.959 58.200 0.166 0.000 0.921 74 S CB -0.620 62.651 63.200 0.117 0.000 0.772 74 S HN 0.741 nan 8.310 nan 0.000 0.529 75 N N 1.354 120.145 118.700 0.153 0.000 2.368 75 N HA 0.280 5.021 4.740 0.000 0.000 0.176 75 N C 1.383 176.948 175.510 0.091 0.000 1.021 75 N CA 1.299 54.405 53.050 0.095 0.000 0.888 75 N CB -0.684 37.840 38.487 0.063 0.000 0.995 75 N HN 0.580 nan 8.380 nan 0.000 0.437 76 G N -0.742 108.136 108.800 0.130 0.000 3.033 76 G HA2 -0.177 3.783 3.960 0.000 0.000 0.208 76 G HA3 -0.177 3.783 3.960 0.000 0.000 0.208 76 G C -0.478 174.506 174.900 0.140 0.000 1.006 76 G CA -0.299 44.868 45.100 0.113 0.000 0.808 76 G HN 0.319 nan 8.290 nan 0.000 0.499 77 E N 2.041 122.336 120.200 0.160 0.000 2.437 77 E HA 0.381 4.731 4.350 0.000 0.000 0.263 77 E C -2.105 174.673 176.600 0.296 0.000 1.030 77 E CA -0.558 55.942 56.400 0.168 0.000 0.934 77 E CB 0.830 30.564 29.700 0.057 0.000 0.943 77 E HN 0.233 nan 8.360 nan 0.000 0.444 78 P HA 0.049 nan 4.420 nan 0.000 0.274 78 P C -1.091 176.447 177.300 0.397 0.000 1.237 78 P CA -0.098 63.142 63.100 0.234 0.000 0.793 78 P CB 0.398 32.167 31.700 0.115 0.000 0.977 79 F N 2.448 122.468 119.950 0.117 0.000 2.311 79 F HA 0.294 4.821 4.527 0.000 0.000 0.371 79 F C -0.410 175.379 175.800 -0.019 0.000 1.083 79 F CA -0.613 57.419 58.000 0.055 0.000 1.113 79 F CB 0.189 39.040 39.000 -0.248 0.000 1.349 79 F HN 0.155 nan 8.300 nan 0.000 0.470 80 D N 3.375 123.526 120.400 -0.415 0.000 2.478 80 D HA 0.323 4.963 4.640 0.000 0.000 0.263 80 D C 0.968 176.906 176.300 -0.602 0.000 1.153 80 D CA -0.155 53.614 54.000 -0.386 0.000 1.038 80 D CB 1.280 41.975 40.800 -0.175 0.000 1.120 80 D HN 0.497 nan 8.370 nan 0.000 0.564 81 A N -0.062 122.561 122.820 -0.329 0.000 2.067 81 A HA -0.187 4.134 4.320 0.000 0.000 0.219 81 A C 1.843 179.349 177.584 -0.131 0.000 1.158 81 A CA 1.734 53.640 52.037 -0.219 0.000 0.661 81 A CB -0.463 18.487 19.000 -0.084 0.000 0.801 81 A HN 0.568 nan 8.150 nan 0.000 0.452 82 E N 0.705 120.834 120.200 -0.118 0.000 2.047 82 E HA -0.018 4.332 4.350 0.000 0.000 0.191 82 E C 1.925 178.513 176.600 -0.021 0.000 0.987 82 E CA 1.688 58.062 56.400 -0.044 0.000 0.799 82 E CB -0.581 29.097 29.700 -0.038 0.000 0.752 82 E HN 0.388 nan 8.360 nan 0.000 0.449 83 A N 0.923 123.697 122.820 -0.077 0.000 1.933 83 A HA 0.003 4.324 4.320 0.000 0.000 0.218 83 A C 2.447 180.135 177.584 0.174 0.000 1.175 83 A CA 2.096 54.158 52.037 0.042 0.000 0.628 83 A CB -1.014 18.079 19.000 0.155 0.000 0.814 83 A HN 0.427 nan 8.150 nan 0.000 0.444 84 A N -0.070 122.754 122.820 0.007 0.000 1.855 84 A HA 0.211 4.532 4.320 0.000 0.000 0.215 84 A C 2.506 180.406 177.584 0.526 0.000 1.191 84 A CA 1.912 54.088 52.037 0.233 0.000 0.613 84 A CB -1.130 17.795 19.000 -0.125 0.000 0.829 84 A HN 1.125 nan 8.150 nan 0.000 0.442 85 A N -0.661 122.372 122.820 0.354 0.000 2.032 85 A HA -0.181 4.139 4.320 0.000 0.000 0.221 85 A C 1.924 179.726 177.584 0.364 0.000 1.165 85 A CA 1.859 54.113 52.037 0.363 0.000 0.645 85 A CB -0.399 18.709 19.000 0.181 0.000 0.807 85 A HN 0.463 nan 8.150 nan 0.000 0.453 86 E N 0.158 120.551 120.200 0.322 0.000 2.107 86 E HA -0.132 4.218 4.350 0.000 0.000 0.191 86 E C 1.746 178.663 176.600 0.529 0.000 0.982 86 E CA 1.267 57.870 56.400 0.339 0.000 0.809 86 E CB -0.447 29.344 29.700 0.151 0.000 0.756 86 E HN 0.780 nan 8.360 nan 0.000 0.459 87 N N -0.289 118.750 118.700 0.566 0.000 2.142 87 N HA -0.104 4.636 4.740 0.000 0.000 0.186 87 N C 1.653 177.244 175.510 0.136 0.000 1.023 87 N CA 0.900 54.243 53.050 0.488 0.000 0.852 87 N CB -0.216 38.590 38.487 0.532 0.000 0.998 87 N HN 0.030 nan 8.380 nan 0.000 0.424 88 F N 1.276 121.367 119.950 0.235 0.000 2.069 88 F HA -0.106 4.421 4.527 0.000 0.000 0.298 88 F C 2.558 178.405 175.800 0.079 0.000 1.113 88 F CA 1.217 59.301 58.000 0.140 0.000 1.214 88 F CB -0.370 38.719 39.000 0.148 0.000 0.978 88 F HN -0.039 nan 8.300 nan 0.000 0.474 89 R N 0.457 121.152 120.500 0.324 0.000 2.096 89 R HA -0.228 4.112 4.340 0.000 0.000 0.240 89 R C 2.315 178.696 176.300 0.135 0.000 1.139 89 R CA 1.628 57.856 56.100 0.214 0.000 0.952 89 R CB -0.659 29.778 30.300 0.227 0.000 0.854 89 R HN 0.293 nan 8.270 nan 0.000 0.436 90 A N 0.279 123.174 122.820 0.126 0.000 1.908 90 A HA -0.117 4.203 4.320 0.000 0.000 0.218 90 A C 2.298 179.798 177.584 -0.140 0.000 1.181 90 A CA 1.668 53.688 52.037 -0.027 0.000 0.627 90 A CB -0.624 18.248 19.000 -0.213 0.000 0.818 90 A HN 0.247 nan 8.150 nan 0.000 0.445 91 V N 0.191 119.912 119.914 -0.322 0.000 2.214 91 V HA -0.286 3.834 4.120 0.000 0.000 0.245 91 V C 2.489 178.528 176.094 -0.091 0.000 1.047 91 V CA 2.210 64.253 62.300 -0.429 0.000 0.998 91 V CB -0.840 30.587 31.823 -0.661 0.000 0.633 91 V HN 0.606 nan 8.190 nan 0.000 0.446 92 L N 0.111 121.340 121.223 0.010 0.000 2.450 92 L HA -0.167 4.173 4.340 0.000 0.000 0.224 92 L C 1.800 178.719 176.870 0.082 0.000 1.149 92 L CA 0.885 55.781 54.840 0.093 0.000 0.816 92 L CB -0.757 41.379 42.059 0.129 0.000 0.932 92 L HN 0.364 nan 8.230 nan 0.000 0.449 93 D N -0.115 120.322 120.400 0.061 0.000 2.403 93 D HA -0.129 4.512 4.640 0.000 0.000 0.227 93 D C 1.295 177.622 176.300 0.046 0.000 0.995 93 D CA 0.795 54.827 54.000 0.052 0.000 0.928 93 D CB -0.092 40.736 40.800 0.047 0.000 0.887 93 D HN 0.206 nan 8.370 nan 0.000 0.529 94 N N -0.463 118.280 118.700 0.071 0.000 2.167 94 N HA 0.081 4.822 4.740 0.000 0.000 0.234 94 N C 1.111 176.648 175.510 0.046 0.000 1.312 94 N CA -0.225 52.853 53.050 0.047 0.000 0.861 94 N CB 0.309 38.829 38.487 0.054 0.000 1.217 94 N HN -0.142 nan 8.380 nan 0.000 0.504 95 R N 0.815 121.383 120.500 0.115 0.000 2.301 95 R HA -0.373 3.967 4.340 0.000 0.000 0.250 95 R C 1.674 177.972 176.300 -0.003 0.000 1.102 95 R CA 2.741 58.904 56.100 0.105 0.000 0.933 95 R CB -0.288 30.046 30.300 0.057 0.000 0.955 95 R HN 0.449 nan 8.270 nan 0.000 0.439 96 Q N -0.137 119.638 119.800 -0.042 0.000 2.207 96 Q HA -0.313 4.027 4.340 0.000 0.000 0.215 96 Q C 1.962 177.881 176.000 -0.136 0.000 1.006 96 Q CA 2.701 58.457 55.803 -0.078 0.000 0.903 96 Q CB -0.236 28.462 28.738 -0.068 0.000 0.947 96 Q HN 0.221 nan 8.270 nan 0.000 0.414 97 R N -0.714 119.638 120.500 -0.247 0.000 2.148 97 R HA -0.087 4.253 4.340 0.000 0.000 0.227 97 R C 1.169 177.239 176.300 -0.383 0.000 1.103 97 R CA 1.816 57.693 56.100 -0.372 0.000 0.983 97 R CB -0.016 29.999 30.300 -0.474 0.000 0.874 97 R HN 0.562 nan 8.270 nan 0.000 0.451 98 H N -1.348 117.688 119.070 -0.057 0.000 2.549 98 H HA 0.338 4.895 4.556 0.000 0.000 0.279 98 H C 1.254 176.319 175.328 -0.439 0.000 1.018 98 H CA 0.539 56.432 56.048 -0.259 0.000 1.175 98 H CB 0.484 30.089 29.762 -0.262 0.000 1.485 98 H HN 0.266 nan 8.280 nan 0.000 0.543 99 A N 2.443 125.181 122.820 -0.137 0.000 2.070 99 A HA -0.145 4.176 4.320 0.000 0.000 0.220 99 A C 2.185 179.730 177.584 -0.064 0.000 1.159 99 A CA 0.915 52.889 52.037 -0.105 0.000 0.656 99 A CB -1.093 17.871 19.000 -0.059 0.000 0.800 99 A HN 0.711 nan 8.150 nan 0.000 0.453 100 W N -0.705 120.603 121.300 0.013 0.000 2.313 100 W HA -0.076 4.584 4.660 0.001 0.000 0.293 100 W C 0.419 177.026 176.519 0.147 0.000 1.216 100 W CA 0.399 57.788 57.345 0.075 0.000 1.223 100 W CB -0.836 28.682 29.460 0.096 0.000 1.138 100 W HN 0.200 nan 8.180 nan 0.000 0.535 101 L N 2.713 123.521 121.223 -0.692 0.000 2.264 101 L HA 0.082 4.422 4.340 0.000 0.000 0.289 101 L C 1.562 178.295 176.870 -0.228 0.000 1.044 101 L CA 0.043 54.514 54.840 -0.615 0.000 0.807 101 L CB 1.688 43.004 42.059 -1.238 0.000 1.192 101 L HN -0.160 nan 8.230 nan 0.000 0.425 102 E N 3.567 123.745 120.200 -0.036 0.000 2.051 102 E HA -0.215 4.135 4.350 0.000 0.000 0.192 102 E C 1.865 178.283 176.600 -0.304 0.000 0.991 102 E CA 1.377 57.696 56.400 -0.134 0.000 0.799 102 E CB -0.095 29.573 29.700 -0.054 0.000 0.748 102 E HN 0.739 nan 8.360 nan 0.000 0.449 103 L N -0.086 121.034 121.223 -0.170 0.000 2.085 103 L HA -0.340 4.001 4.340 0.000 0.000 0.218 103 L C 2.164 179.045 176.870 0.017 0.000 1.080 103 L CA 1.916 56.733 54.840 -0.039 0.000 0.776 103 L CB -0.583 41.646 42.059 0.284 0.000 0.891 103 L HN 0.325 nan 8.230 nan 0.000 0.437 104 A N -0.695 122.172 122.820 0.078 0.000 2.067 104 A HA -0.152 4.168 4.320 0.000 0.000 0.219 104 A C 1.631 179.222 177.584 0.012 0.000 1.158 104 A CA 1.471 53.585 52.037 0.129 0.000 0.661 104 A CB -0.364 18.655 19.000 0.031 0.000 0.801 104 A HN 0.592 nan 8.150 nan 0.000 0.452 105 N N -0.644 118.010 118.700 -0.077 0.000 2.336 105 N HA 0.002 4.742 4.740 0.000 0.000 0.189 105 N C 1.236 176.663 175.510 -0.138 0.000 1.113 105 N CA 0.340 53.334 53.050 -0.093 0.000 0.858 105 N CB 0.192 38.618 38.487 -0.102 0.000 0.970 105 N HN 0.422 nan 8.380 nan 0.000 0.471 106 Q N 0.491 120.174 119.800 -0.195 0.000 2.304 106 Q HA 0.258 4.598 4.340 0.000 0.000 0.204 106 Q C 0.652 176.552 176.000 -0.166 0.000 0.936 106 Q CA 0.060 55.719 55.803 -0.240 0.000 0.878 106 Q CB 0.580 29.064 28.738 -0.425 0.000 0.983 106 Q HN 0.329 nan 8.270 nan 0.000 0.516 107 I N 1.593 122.079 120.570 -0.139 0.000 2.664 107 I HA -0.109 4.061 4.170 0.000 0.000 0.284 107 I C 1.551 177.625 176.117 -0.072 0.000 1.154 107 I CA 0.031 61.256 61.300 -0.124 0.000 1.402 107 I CB 0.860 38.801 38.000 -0.099 0.000 1.395 107 I HN -0.059 nan 8.210 nan 0.000 0.545 108 V N 6.182 126.055 119.914 -0.069 0.000 2.500 108 V HA 0.028 4.148 4.120 0.000 0.000 0.243 108 V C 0.392 176.471 176.094 -0.024 0.000 1.039 108 V CA 1.658 63.936 62.300 -0.037 0.000 1.053 108 V CB 0.027 31.831 31.823 -0.031 0.000 0.695 108 V HN 1.005 nan 8.190 nan 0.000 0.463 109 D N -1.381 118.995 120.400 -0.039 0.000 2.710 109 D HA 0.254 4.894 4.640 0.000 0.000 0.276 109 D C -1.536 174.725 176.300 -0.065 0.000 1.267 109 D CA -0.202 53.781 54.000 -0.029 0.000 0.772 109 D CB 1.888 42.686 40.800 -0.003 0.000 1.299 109 D HN 0.001 nan 8.370 nan 0.000 0.421 110 V N 0.397 120.280 119.914 -0.052 0.000 2.409 110 V HA 0.444 4.564 4.120 0.000 0.000 0.290 110 V C -0.270 175.821 176.094 -0.005 0.000 1.017 110 V CA -0.783 61.464 62.300 -0.089 0.000 0.841 110 V CB 1.252 32.972 31.823 -0.172 0.000 1.003 110 V HN 0.410 nan 8.190 nan 0.000 0.426 111 K N 2.959 123.363 120.400 0.006 0.000 2.182 111 K HA 0.796 5.116 4.320 0.000 0.000 0.262 111 K C -0.024 176.599 176.600 0.038 0.000 0.957 111 K CA -0.513 55.791 56.287 0.028 0.000 0.842 111 K CB 2.333 34.848 32.500 0.025 0.000 1.099 111 K HN 0.783 nan 8.250 nan 0.000 0.438 112 A N 4.620 127.465 122.820 0.041 0.000 2.437 112 A HA 0.183 4.503 4.320 0.000 0.000 0.303 112 A C 0.818 178.417 177.584 0.024 0.000 1.324 112 A CA -0.389 51.668 52.037 0.033 0.000 0.983 112 A CB -0.329 18.685 19.000 0.024 0.000 1.142 112 A HN 0.826 nan 8.150 nan 0.000 0.541 113 L N 1.849 123.090 121.223 0.029 0.000 1.960 113 L HA -0.002 4.339 4.340 0.000 0.000 0.209 113 L C 1.908 178.785 176.870 0.012 0.000 1.090 113 L CA 1.167 56.021 54.840 0.023 0.000 0.759 113 L CB -0.523 41.553 42.059 0.030 0.000 0.892 113 L HN 0.688 nan 8.230 nan 0.000 0.436 114 S N -0.914 114.792 115.700 0.011 0.000 2.681 114 S HA 0.064 4.535 4.470 0.000 0.000 0.270 114 S C 0.820 175.412 174.600 -0.013 0.000 1.209 114 S CA -0.438 57.762 58.200 0.000 0.000 0.988 114 S CB 1.507 64.708 63.200 0.002 0.000 1.006 114 S HN 0.222 nan 8.310 nan 0.000 0.558 115 K N 0.182 120.568 120.400 -0.023 0.000 2.288 115 K HA 0.014 4.335 4.320 0.000 0.000 0.201 115 K C 1.484 178.047 176.600 -0.062 0.000 1.048 115 K CA 1.395 57.655 56.287 -0.044 0.000 0.956 115 K CB -0.316 32.161 32.500 -0.038 0.000 0.746 115 K HN 0.548 nan 8.250 nan 0.000 0.461 116 T N -0.359 114.173 114.554 -0.037 0.000 3.069 116 T HA 0.130 4.481 4.350 0.000 0.000 0.252 116 T C -0.859 173.842 174.700 0.001 0.000 1.053 116 T CA -0.128 61.954 62.100 -0.031 0.000 0.964 116 T CB 0.122 68.978 68.868 -0.020 0.000 1.005 116 T HN 0.227 nan 8.240 nan 0.000 0.532 117 E N 0.822 121.029 120.200 0.012 0.000 2.260 117 E HA 0.491 4.841 4.350 0.000 0.000 0.266 117 E C -1.928 174.717 176.600 0.074 0.000 0.887 117 E CA -0.684 55.752 56.400 0.059 0.000 0.777 117 E CB 1.513 31.241 29.700 0.047 0.000 1.205 117 E HN 0.088 nan 8.360 nan 0.000 0.414 118 L N 3.865 125.176 121.223 0.147 0.000 2.356 118 L HA 0.410 4.750 4.340 0.000 0.000 0.277 118 L C -1.134 175.879 176.870 0.239 0.000 0.996 118 L CA -0.237 54.700 54.840 0.162 0.000 0.822 118 L CB 1.701 43.855 42.059 0.157 0.000 1.256 118 L HN 0.564 nan 8.230 nan 0.000 0.413 119 Q N 4.838 124.726 119.800 0.146 0.000 2.307 119 Q HA 0.621 4.961 4.340 0.000 0.000 0.262 119 Q C -1.541 174.516 176.000 0.095 0.000 0.961 119 Q CA -0.417 55.472 55.803 0.142 0.000 0.882 119 Q CB 1.301 30.087 28.738 0.080 0.000 1.264 119 Q HN 0.756 nan 8.270 nan 0.000 0.446 120 I N 3.438 124.106 120.570 0.163 0.000 2.406 120 I HA 0.331 4.501 4.170 0.000 0.000 0.290 120 I C -0.714 175.424 176.117 0.036 0.000 0.999 120 I CA -0.667 60.651 61.300 0.030 0.000 1.124 120 I CB 2.254 40.289 38.000 0.058 0.000 1.289 120 I HN 0.593 nan 8.210 nan 0.000 0.441 121 T N 7.060 121.588 114.554 -0.044 0.000 2.770 121 T HA 0.623 4.973 4.350 0.000 0.000 0.283 121 T C -0.200 174.450 174.700 -0.084 0.000 0.988 121 T CA -0.532 61.553 62.100 -0.025 0.000 0.957 121 T CB 0.986 69.846 68.868 -0.014 0.000 0.930 121 T HN 0.257 nan 8.240 nan 0.000 0.443 122 L N 2.865 124.039 121.223 -0.081 0.000 2.322 122 L HA 0.540 4.880 4.340 0.000 0.000 0.269 122 L C 1.498 178.335 176.870 -0.055 0.000 1.012 122 L CA -1.150 53.615 54.840 -0.125 0.000 0.815 122 L CB 1.771 43.705 42.059 -0.209 0.000 1.295 122 L HN 0.650 nan 8.230 nan 0.000 0.438 123 K N 0.053 120.415 120.400 -0.064 0.000 2.418 123 K HA 0.097 4.417 4.320 0.000 0.000 0.195 123 K C 0.407 177.007 176.600 -0.001 0.000 1.035 123 K CA 0.474 56.742 56.287 -0.032 0.000 1.003 123 K CB 0.334 32.809 32.500 -0.042 0.000 0.793 123 K HN 0.630 nan 8.250 nan 0.000 0.494 124 S N -1.090 114.622 115.700 0.019 0.000 2.688 124 S HA 0.593 5.063 4.470 0.000 0.000 0.275 124 S C -0.980 173.710 174.600 0.150 0.000 1.175 124 S CA -0.717 57.533 58.200 0.083 0.000 0.818 124 S CB 1.098 64.360 63.200 0.104 0.000 1.157 124 S HN 0.161 nan 8.310 nan 0.000 0.482 125 A N 1.510 124.450 122.820 0.200 0.000 2.981 125 A HA 0.359 4.680 4.320 0.000 0.000 0.280 125 A C -0.506 177.325 177.584 0.413 0.000 1.797 125 A CA -0.134 52.062 52.037 0.265 0.000 1.456 125 A CB -1.546 17.534 19.000 0.133 0.000 1.057 125 A HN 0.863 nan 8.150 nan 0.000 0.602 126 Y N 3.941 124.333 120.300 0.153 0.000 2.613 126 Y HA 0.260 4.810 4.550 0.001 0.000 0.354 126 Y C 1.031 176.980 175.900 0.083 0.000 1.063 126 Y CA -1.232 56.905 58.100 0.062 0.000 1.384 126 Y CB -0.301 38.112 38.460 -0.078 0.000 1.199 126 Y HN 0.717 nan 8.280 nan 0.000 0.517 127 Y N 5.761 125.955 120.300 -0.177 0.000 2.114 127 Y HA -0.066 4.485 4.550 0.000 0.000 0.282 127 Y C -0.994 174.704 175.900 -0.336 0.000 1.165 127 Y CA 0.951 58.948 58.100 -0.171 0.000 1.148 127 Y CB -2.114 36.271 38.460 -0.126 0.000 0.972 127 Y HN 0.402 nan 8.280 nan 0.000 0.504 128 P HA -0.003 nan 4.420 nan 0.000 0.255 128 P C 1.194 178.187 177.300 -0.512 0.000 1.427 128 P CA 0.059 62.657 63.100 -0.836 0.000 0.863 128 P CB -0.946 30.013 31.700 -1.234 0.000 1.444 129 F N 1.349 120.931 119.950 -0.614 0.000 2.043 129 F HA -0.278 4.249 4.527 0.001 0.000 0.297 129 F C 1.739 177.352 175.800 -0.311 0.000 1.121 129 F CA 1.212 58.992 58.000 -0.368 0.000 1.199 129 F CB -0.414 38.305 39.000 -0.468 0.000 0.968 129 F HN -0.210 nan 8.300 nan 0.000 0.478 130 L N 1.077 121.899 121.223 -0.669 0.000 1.990 130 L HA -0.280 4.060 4.340 0.000 0.000 0.213 130 L C 2.622 179.280 176.870 -0.354 0.000 1.072 130 L CA 1.779 56.222 54.840 -0.663 0.000 0.755 130 L CB -1.827 39.971 42.059 -0.434 0.000 0.889 130 L HN 0.378 nan 8.230 nan 0.000 0.432 131 Q N -0.421 119.259 119.800 -0.199 0.000 2.152 131 Q HA -0.248 4.093 4.340 0.000 0.000 0.206 131 Q C 1.910 177.831 176.000 -0.131 0.000 0.985 131 Q CA 1.684 57.416 55.803 -0.118 0.000 0.863 131 Q CB -0.403 28.275 28.738 -0.101 0.000 0.904 131 Q HN 0.637 nan 8.270 nan 0.000 0.422 132 E N 0.462 120.608 120.200 -0.090 0.000 2.230 132 E HA 0.027 4.377 4.350 0.000 0.000 0.192 132 E C 2.162 178.802 176.600 0.068 0.000 0.987 132 E CA 0.011 56.435 56.400 0.040 0.000 0.841 132 E CB 0.099 29.918 29.700 0.197 0.000 0.783 132 E HN 0.261 nan 8.360 nan 0.000 0.481 133 L N 0.557 121.723 121.223 -0.095 0.000 2.046 133 L HA -0.147 4.193 4.340 0.000 0.000 0.208 133 L C 2.432 179.281 176.870 -0.034 0.000 1.077 133 L CA 0.960 55.741 54.840 -0.099 0.000 0.747 133 L CB -0.366 41.483 42.059 -0.351 0.000 0.896 133 L HN 0.146 nan 8.230 nan 0.000 0.432 134 A N -0.215 122.561 122.820 -0.073 0.000 2.225 134 A HA 0.011 4.331 4.320 0.000 0.000 0.215 134 A C 1.163 178.726 177.584 -0.034 0.000 1.164 134 A CA 0.392 52.407 52.037 -0.037 0.000 0.710 134 A CB -0.646 18.356 19.000 0.003 0.000 0.780 134 A HN 0.274 nan 8.150 nan 0.000 0.473 135 L N -0.756 120.447 121.223 -0.033 0.000 2.452 135 L HA 0.123 4.463 4.340 0.000 0.000 0.267 135 L C -1.264 175.620 176.870 0.022 0.000 1.188 135 L CA -1.703 53.122 54.840 -0.024 0.000 0.821 135 L CB 0.128 42.192 42.059 0.008 0.000 1.102 135 L HN 0.028 nan 8.230 nan 0.000 0.470 136 P HA -0.139 nan 4.420 nan 0.000 0.216 136 P C -0.429 176.842 177.300 -0.049 0.000 1.153 136 P CA 1.486 64.596 63.100 0.016 0.000 0.858 136 P CB 0.134 31.852 31.700 0.030 0.000 0.789 137 R N -2.544 117.928 120.500 -0.046 0.000 2.707 137 R HA 0.437 4.777 4.340 0.000 0.000 0.272 137 R C -2.742 173.487 176.300 -0.117 0.000 1.011 137 R CA -1.764 54.232 56.100 -0.173 0.000 0.893 137 R CB 0.413 30.522 30.300 -0.317 0.000 1.233 137 R HN -0.208 nan 8.270 nan 0.000 0.464 138 P HA 0.171 nan 4.420 nan 0.000 0.264 138 P C -0.185 176.739 177.300 -0.628 0.000 1.259 138 P CA 0.135 62.885 63.100 -0.584 0.000 0.841 138 P CB 0.247 31.434 31.700 -0.854 0.000 1.232 139 F N 1.297 121.030 119.950 -0.361 0.000 2.783 139 F HA 0.236 4.763 4.527 0.000 0.000 0.338 139 F C 1.302 176.662 175.800 -0.733 0.000 1.178 139 F CA -0.378 57.279 58.000 -0.571 0.000 1.343 139 F CB -0.112 38.656 39.000 -0.386 0.000 1.496 139 F HN -0.272 nan 8.300 nan 0.000 0.583 140 R N -0.327 119.825 120.500 -0.580 0.000 2.960 140 R HA 0.657 4.998 4.340 0.000 0.000 0.249 140 R C -1.428 174.423 176.300 -0.748 0.000 1.192 140 R CA -1.058 54.622 56.100 -0.701 0.000 1.035 140 R CB 1.606 31.805 30.300 -0.169 0.000 1.234 140 R HN -0.029 nan 8.270 nan 0.000 0.493 141 F N 0.872 120.935 119.950 0.188 0.000 2.460 141 F HA 0.479 5.006 4.527 0.000 0.000 0.341 141 F C 0.106 176.244 175.800 0.562 0.000 1.130 141 F CA -0.687 57.521 58.000 0.348 0.000 0.962 141 F CB 1.126 40.394 39.000 0.447 0.000 1.171 141 F HN 0.225 nan 8.300 nan 0.000 0.436 142 I N 2.325 123.217 120.570 0.537 0.000 2.664 142 I HA 0.719 4.889 4.170 0.000 0.000 0.308 142 I C 0.049 176.396 176.117 0.383 0.000 0.984 142 I CA -0.758 60.880 61.300 0.565 0.000 1.213 142 I CB 1.311 39.450 38.000 0.232 0.000 1.379 142 I HN 0.741 nan 8.210 nan 0.000 0.501 143 A N 8.227 130.931 122.820 -0.195 0.000 2.451 143 A HA 0.321 4.641 4.320 0.000 0.000 0.266 143 A C -1.702 175.651 177.584 -0.384 0.000 1.119 143 A CA -1.115 50.375 52.037 -0.912 0.000 0.786 143 A CB -0.303 18.036 19.000 -1.102 0.000 1.061 143 A HN 0.649 nan 8.150 nan 0.000 0.503 144 P HA -0.198 nan 4.420 nan 0.000 0.222 144 P C 1.530 178.414 177.300 -0.693 0.000 1.147 144 P CA 1.686 64.228 63.100 -0.929 0.000 0.790 144 P CB -0.069 31.213 31.700 -0.697 0.000 0.780 145 S N -0.146 115.319 115.700 -0.392 0.000 2.423 145 S HA -0.213 4.257 4.470 0.000 0.000 0.238 145 S C 1.850 176.365 174.600 -0.142 0.000 1.028 145 S CA 1.124 59.179 58.200 -0.242 0.000 1.000 145 S CB -1.068 62.023 63.200 -0.183 0.000 0.797 145 S HN 0.124 nan 8.310 nan 0.000 0.487 146 Q N 0.157 119.915 119.800 -0.071 0.000 2.360 146 Q HA 0.377 4.717 4.340 0.000 0.000 0.202 146 Q C 0.196 176.348 176.000 0.253 0.000 0.915 146 Q CA -0.153 55.698 55.803 0.081 0.000 0.943 146 Q CB -0.199 28.587 28.738 0.080 0.000 1.064 146 Q HN 0.671 nan 8.270 nan 0.000 0.511 147 F N 0.293 120.204 119.950 -0.065 0.000 2.472 147 F HA -0.011 4.516 4.527 0.000 0.000 0.312 147 F C 1.864 177.637 175.800 -0.045 0.000 1.256 147 F CA 0.059 58.031 58.000 -0.047 0.000 1.275 147 F CB 0.714 39.681 39.000 -0.055 0.000 1.228 147 F HN -0.149 nan 8.300 nan 0.000 0.567 148 K N -0.075 120.418 120.400 0.154 0.000 2.493 148 K HA 0.013 4.333 4.320 0.000 0.000 0.201 148 K C 0.519 177.174 176.600 0.093 0.000 1.355 148 K CA 0.183 56.520 56.287 0.083 0.000 0.953 148 K CB 0.255 32.777 32.500 0.038 0.000 1.316 148 K HN 0.564 nan 8.250 nan 0.000 0.522 149 N N 0.347 119.116 118.700 0.115 0.000 2.275 149 N HA -0.021 4.720 4.740 0.000 0.000 0.236 149 N C -0.811 174.864 175.510 0.276 0.000 1.154 149 N CA 0.209 53.347 53.050 0.146 0.000 0.866 149 N CB 0.329 38.872 38.487 0.093 0.000 1.093 149 N HN 0.167 nan 8.380 nan 0.000 0.515 150 H N -0.916 118.247 119.070 0.156 0.000 3.022 150 H HA -0.111 4.446 4.556 0.001 0.000 0.258 150 H C -0.775 174.740 175.328 0.313 0.000 1.212 150 H CA 1.364 57.557 56.048 0.241 0.000 1.126 150 H CB -0.971 28.884 29.762 0.155 0.000 1.267 150 H HN 0.457 nan 8.280 nan 0.000 0.345 151 E N -1.788 118.544 120.200 0.219 0.000 2.450 151 E HA 0.513 4.863 4.350 0.000 0.000 0.272 151 E C 0.921 177.332 176.600 -0.314 0.000 0.967 151 E CA 0.160 56.536 56.400 -0.040 0.000 0.818 151 E CB 1.278 30.989 29.700 0.018 0.000 1.401 151 E HN 0.168 nan 8.360 nan 0.000 0.450 152 T N -3.528 110.829 114.554 -0.328 0.000 2.954 152 T HA 0.042 4.393 4.350 0.000 0.000 0.252 152 T C 1.739 176.370 174.700 -0.116 0.000 0.983 152 T CA 0.099 62.027 62.100 -0.286 0.000 0.941 152 T CB -0.135 68.581 68.868 -0.253 0.000 1.141 152 T HN 0.479 nan 8.240 nan 0.000 0.500 153 M N 1.091 120.651 119.600 -0.066 0.000 2.539 153 M HA 0.175 4.655 4.480 0.000 0.000 0.261 153 M C 0.933 177.218 176.300 -0.025 0.000 1.069 153 M CA 1.175 56.461 55.300 -0.025 0.000 1.081 153 M CB -0.716 31.880 32.600 -0.008 0.000 1.412 153 M HN 0.008 nan 8.290 nan 0.000 0.482 154 N N 0.713 119.394 118.700 -0.032 0.000 2.227 154 N HA 0.344 5.084 4.740 0.000 0.000 0.196 154 N C 0.606 176.101 175.510 -0.024 0.000 1.142 154 N CA 0.895 53.934 53.050 -0.020 0.000 0.887 154 N CB 1.567 40.051 38.487 -0.006 0.000 1.022 154 N HN 0.551 nan 8.380 nan 0.000 0.500 155 G N 0.809 109.585 108.800 -0.040 0.000 2.361 155 G HA2 0.314 4.274 3.960 0.000 0.000 0.305 155 G HA3 0.314 4.274 3.960 0.000 0.000 0.305 155 G C -1.901 172.970 174.900 -0.049 0.000 1.367 155 G CA -0.862 44.214 45.100 -0.040 0.000 0.951 155 G HN 0.082 nan 8.290 nan 0.000 0.615 156 I N -2.681 117.866 120.570 -0.038 0.000 2.934 156 I HA 0.700 4.870 4.170 0.000 0.000 0.306 156 I C 0.891 177.011 176.117 0.005 0.000 1.110 156 I CA -1.235 60.054 61.300 -0.018 0.000 1.019 156 I CB 1.977 39.956 38.000 -0.036 0.000 1.227 156 I HN 0.571 nan 8.210 nan 0.000 0.434 157 K N 2.450 122.866 120.400 0.027 0.000 1.995 157 K HA 0.465 4.785 4.320 0.000 0.000 0.207 157 K C 0.421 177.029 176.600 0.013 0.000 1.041 157 K CA 1.303 57.601 56.287 0.019 0.000 0.942 157 K CB -0.090 32.423 32.500 0.022 0.000 0.731 157 K HN 0.803 nan 8.250 nan 0.000 0.439 158 A N 1.291 124.126 122.820 0.025 0.000 2.486 158 A HA 0.392 4.712 4.320 0.000 0.000 0.300 158 A C -2.704 174.913 177.584 0.055 0.000 1.048 158 A CA -1.387 50.663 52.037 0.022 0.000 0.696 158 A CB 1.395 20.401 19.000 0.011 0.000 1.278 158 A HN -0.072 nan 8.150 nan 0.000 0.405 159 P HA 0.313 nan 4.420 nan 0.000 0.225 159 P C -0.795 176.558 177.300 0.089 0.000 1.813 159 P CA 0.168 63.346 63.100 0.130 0.000 1.013 159 P CB -0.600 31.147 31.700 0.078 0.000 1.961 160 I N 1.368 122.024 120.570 0.145 0.000 2.301 160 I HA 0.490 4.660 4.170 0.000 0.000 0.292 160 I C 1.142 177.463 176.117 0.340 0.000 1.046 160 I CA 0.434 61.823 61.300 0.149 0.000 1.282 160 I CB 0.993 39.055 38.000 0.103 0.000 1.409 160 I HN 0.173 nan 8.210 nan 0.000 0.484 161 G N 2.386 111.318 108.800 0.221 0.000 2.818 161 G HA2 0.447 4.408 3.960 0.000 0.000 0.286 161 G HA3 0.447 4.408 3.960 0.000 0.000 0.286 161 G C 0.469 175.456 174.900 0.145 0.000 1.364 161 G CA -0.036 45.254 45.100 0.317 0.000 0.938 161 G HN 0.455 nan 8.290 nan 0.000 0.490 162 T N -2.465 112.040 114.554 -0.082 0.000 3.148 162 T HA 0.334 4.685 4.350 0.000 0.000 0.253 162 T C 1.086 175.874 174.700 0.146 0.000 1.134 162 T CA 0.638 62.652 62.100 -0.144 0.000 1.051 162 T CB -0.055 68.527 68.868 -0.476 0.000 0.959 162 T HN 0.767 nan 8.240 nan 0.000 0.525 163 G N 2.009 110.831 108.800 0.037 0.000 2.477 163 G HA2 0.511 4.471 3.960 0.000 0.000 0.304 163 G HA3 0.511 4.471 3.960 0.000 0.000 0.304 163 G C -1.547 173.064 174.900 -0.481 0.000 1.175 163 G CA -1.878 43.150 45.100 -0.119 0.000 0.907 163 G HN -0.033 nan 8.290 nan 0.000 0.509 164 P HA -0.062 nan 4.420 nan 0.000 0.227 164 P C -0.697 176.013 177.300 -0.983 0.000 1.145 164 P CA 0.962 63.233 63.100 -1.380 0.000 0.769 164 P CB 0.068 30.812 31.700 -1.593 0.000 0.769 165 W N -0.435 120.739 121.300 -0.211 0.000 2.915 165 W HA 0.566 5.226 4.660 0.000 0.000 0.337 165 W C -0.405 176.161 176.519 0.077 0.000 1.102 165 W CA -0.806 56.511 57.345 -0.047 0.000 1.224 165 W CB 1.183 30.575 29.460 -0.114 0.000 1.416 165 W HN -0.366 nan 8.180 nan 0.000 0.503 166 I N 3.789 124.590 120.570 0.386 0.000 2.436 166 I HA 0.229 4.399 4.170 0.000 0.000 0.289 166 I C -0.335 175.822 176.117 0.066 0.000 1.010 166 I CA -1.101 60.311 61.300 0.186 0.000 1.098 166 I CB 1.291 39.345 38.000 0.089 0.000 1.266 166 I HN 0.235 nan 8.210 nan 0.000 0.434 167 L N 6.519 127.603 121.223 -0.231 0.000 2.360 167 L HA 0.172 4.513 4.340 0.000 0.000 0.276 167 L C 0.473 177.155 176.870 -0.313 0.000 1.121 167 L CA 0.747 55.168 54.840 -0.699 0.000 0.845 167 L CB 1.236 42.858 42.059 -0.728 0.000 1.143 167 L HN 0.857 nan 8.230 nan 0.000 0.452 168 Q N 2.782 122.422 119.800 -0.266 0.000 2.369 168 Q HA 0.236 4.576 4.340 0.000 0.000 0.254 168 Q C -0.364 175.596 176.000 -0.066 0.000 0.858 168 Q CA 0.116 55.854 55.803 -0.108 0.000 0.961 168 Q CB 0.985 29.697 28.738 -0.045 0.000 1.119 168 Q HN 0.666 nan 8.270 nan 0.000 0.538 169 E N -0.104 120.056 120.200 -0.065 0.000 2.304 169 E HA 0.333 4.683 4.350 0.000 0.000 0.277 169 E C -1.669 174.930 176.600 -0.002 0.000 0.898 169 E CA -0.252 56.156 56.400 0.014 0.000 0.764 169 E CB 2.318 32.099 29.700 0.133 0.000 1.216 169 E HN -0.113 nan 8.360 nan 0.000 0.419 170 S N 2.996 118.666 115.700 -0.049 0.000 2.667 170 S HA 0.262 4.732 4.470 0.000 0.000 0.304 170 S C -0.630 173.879 174.600 -0.151 0.000 1.135 170 S CA -0.520 57.624 58.200 -0.093 0.000 1.125 170 S CB 0.667 63.808 63.200 -0.099 0.000 0.996 170 S HN 0.318 nan 8.310 nan 0.000 0.474 171 K N 4.064 124.274 120.400 -0.317 0.000 2.263 171 K HA 0.319 4.640 4.320 0.000 0.000 0.272 171 K C -0.132 176.300 176.600 -0.279 0.000 1.033 171 K CA -0.728 55.322 56.287 -0.394 0.000 0.884 171 K CB 0.564 32.628 32.500 -0.726 0.000 1.107 171 K HN 0.458 nan 8.250 nan 0.000 0.460 172 L N 5.141 126.269 121.223 -0.158 0.000 2.601 172 L HA -0.047 4.293 4.340 0.000 0.000 0.277 172 L C -0.378 176.445 176.870 -0.077 0.000 1.219 172 L CA 1.424 56.211 54.840 -0.090 0.000 0.915 172 L CB -0.852 41.171 42.059 -0.061 0.000 1.160 172 L HN 1.005 nan 8.230 nan 0.000 0.494 173 N N 2.564 121.243 118.700 -0.035 0.000 2.708 173 N HA -0.275 4.465 4.740 0.000 0.000 0.251 173 N C 0.685 176.188 175.510 -0.011 0.000 1.123 173 N CA 1.470 54.517 53.050 -0.005 0.000 0.739 173 N CB -0.451 38.036 38.487 -0.000 0.000 1.113 173 N HN 0.832 nan 8.380 nan 0.000 0.561 174 Q N -1.697 118.064 119.800 -0.066 0.000 2.245 174 Q HA 0.242 4.582 4.340 0.000 0.000 0.172 174 Q C -0.879 175.151 176.000 0.050 0.000 0.604 174 Q CA 0.198 55.959 55.803 -0.070 0.000 0.812 174 Q CB 0.790 29.375 28.738 -0.257 0.000 1.149 174 Q HN 0.414 nan 8.270 nan 0.000 0.467 175 Y N -1.784 118.569 120.300 0.088 0.000 2.670 175 Y HA 0.617 5.167 4.550 0.000 0.000 0.334 175 Y C -1.846 174.114 175.900 0.100 0.000 1.185 175 Y CA -1.454 56.718 58.100 0.120 0.000 1.053 175 Y CB 1.173 39.694 38.460 0.101 0.000 1.298 175 Y HN -0.116 nan 8.280 nan 0.000 0.459 176 D N 1.665 122.305 120.400 0.400 0.000 2.358 176 D HA 0.338 4.978 4.640 0.000 0.000 0.253 176 D C -1.152 175.306 176.300 0.263 0.000 1.288 176 D CA -0.276 53.859 54.000 0.224 0.000 0.950 176 D CB 2.606 43.459 40.800 0.088 0.000 1.197 176 D HN 0.440 nan 8.370 nan 0.000 0.550 177 V N 3.050 123.078 119.914 0.190 0.000 2.470 177 V HA 0.195 4.315 4.120 0.000 0.000 0.276 177 V C 0.171 176.256 176.094 -0.015 0.000 1.040 177 V CA 0.111 62.481 62.300 0.117 0.000 1.008 177 V CB -0.055 31.800 31.823 0.054 0.000 0.990 177 V HN 0.300 nan 8.190 nan 0.000 0.477 178 F N 3.656 123.646 119.950 0.067 0.000 2.450 178 F HA 0.665 5.192 4.527 0.000 0.000 0.332 178 F C 0.171 176.006 175.800 0.059 0.000 1.093 178 F CA -0.333 57.688 58.000 0.036 0.000 1.003 178 F CB 2.016 40.994 39.000 -0.036 0.000 1.151 178 F HN 0.202 nan 8.300 nan 0.000 0.474 179 V N 3.460 123.568 119.914 0.324 0.000 2.914 179 V HA 0.447 4.567 4.120 0.000 0.000 0.314 179 V C -0.434 175.863 176.094 0.338 0.000 1.084 179 V CA -1.125 61.331 62.300 0.261 0.000 0.963 179 V CB 2.215 34.116 31.823 0.130 0.000 1.025 179 V HN 0.659 nan 8.190 nan 0.000 0.432 180 R N 3.215 123.874 120.500 0.264 0.000 2.489 180 R HA 0.116 4.456 4.340 0.000 0.000 0.287 180 R C 0.386 176.679 176.300 -0.012 0.000 1.053 180 R CA 0.041 56.183 56.100 0.070 0.000 1.036 180 R CB 0.202 30.484 30.300 -0.030 0.000 0.966 180 R HN 0.843 nan 8.270 nan 0.000 0.432 181 N N 3.036 121.668 118.700 -0.112 0.000 2.416 181 N HA -0.073 4.667 4.740 0.000 0.000 0.265 181 N C -0.020 175.465 175.510 -0.041 0.000 1.195 181 N CA -0.230 52.786 53.050 -0.057 0.000 0.943 181 N CB 0.861 39.298 38.487 -0.083 0.000 1.115 181 N HN 0.611 nan 8.380 nan 0.000 0.481 182 E N 2.351 122.549 120.200 -0.003 0.000 2.268 182 E HA -0.046 4.304 4.350 0.000 0.000 0.195 182 E C 0.457 177.066 176.600 0.015 0.000 0.995 182 E CA 0.975 57.376 56.400 0.001 0.000 0.836 182 E CB 0.197 29.902 29.700 0.008 0.000 0.763 182 E HN 0.607 nan 8.360 nan 0.000 0.491 183 N N -0.524 118.199 118.700 0.039 0.000 2.236 183 N HA -0.069 4.672 4.740 0.000 0.000 0.196 183 N C -0.244 175.308 175.510 0.069 0.000 1.114 183 N CA -0.128 52.951 53.050 0.049 0.000 0.859 183 N CB 0.161 38.686 38.487 0.064 0.000 0.982 183 N HN 0.139 nan 8.380 nan 0.000 0.493 184 Y N 3.062 123.310 120.300 -0.087 0.000 2.904 184 Y HA -0.198 4.352 4.550 0.000 0.000 0.336 184 Y C 1.568 177.382 175.900 -0.144 0.000 1.263 184 Y CA -0.448 57.560 58.100 -0.153 0.000 1.547 184 Y CB 0.328 38.613 38.460 -0.291 0.000 1.272 184 Y HN 0.213 nan 8.280 nan 0.000 0.596 185 W N 5.203 126.098 121.300 -0.675 0.000 2.611 185 W HA 0.228 4.888 4.660 0.001 0.000 0.251 185 W C 0.097 176.188 176.519 -0.713 0.000 1.265 185 W CA 0.532 57.518 57.345 -0.598 0.000 1.295 185 W CB -0.810 28.363 29.460 -0.477 0.000 1.129 185 W HN 0.670 nan 8.180 nan 0.000 0.630 186 G N 0.710 108.509 108.800 -1.667 0.000 3.195 186 G HA2 0.188 4.148 3.960 0.000 0.000 0.217 186 G HA3 0.188 4.148 3.960 0.000 0.000 0.217 186 G C -0.561 173.942 174.900 -0.662 0.000 1.166 186 G CA -0.875 43.480 45.100 -1.243 0.000 0.812 186 G HN -0.108 nan 8.290 nan 0.000 0.617 187 E N 0.694 120.655 120.200 -0.398 0.000 2.534 187 E HA -0.015 4.336 4.350 0.000 0.000 0.264 187 E C -0.194 176.370 176.600 -0.060 0.000 0.981 187 E CA 0.561 56.877 56.400 -0.141 0.000 0.948 187 E CB 0.913 30.582 29.700 -0.052 0.000 0.934 187 E HN 0.337 nan 8.360 nan 0.000 0.459 188 K N 3.885 124.247 120.400 -0.064 0.000 2.234 188 K HA 0.259 4.579 4.320 0.000 0.000 0.277 188 K C -2.405 174.146 176.600 -0.082 0.000 1.038 188 K CA -1.869 54.374 56.287 -0.072 0.000 0.888 188 K CB 0.686 33.149 32.500 -0.060 0.000 1.091 188 K HN 0.088 nan 8.250 nan 0.000 0.467 189 P HA 0.040 nan 4.420 nan 0.000 0.267 189 P C -0.087 177.205 177.300 -0.013 0.000 1.205 189 P CA -0.047 62.985 63.100 -0.113 0.000 0.765 189 P CB 1.262 32.715 31.700 -0.413 0.000 0.828 190 A N 4.643 127.496 122.820 0.055 0.000 2.024 190 A HA -0.080 4.240 4.320 0.000 0.000 0.220 190 A C 1.093 178.737 177.584 0.100 0.000 1.164 190 A CA 1.081 53.155 52.037 0.062 0.000 0.643 190 A CB -0.614 18.422 19.000 0.061 0.000 0.806 190 A HN 0.478 nan 8.150 nan 0.000 0.451 191 I N -0.479 120.208 120.570 0.195 0.000 2.440 191 I HA 0.195 4.366 4.170 0.000 0.000 0.294 191 I C 0.967 177.256 176.117 0.287 0.000 0.995 191 I CA 0.104 61.548 61.300 0.239 0.000 1.306 191 I CB 1.409 39.566 38.000 0.261 0.000 1.407 191 I HN 0.225 nan 8.210 nan 0.000 0.501 192 K N 3.061 123.577 120.400 0.192 0.000 2.287 192 K HA 0.137 4.457 4.320 0.000 0.000 0.199 192 K C 0.476 177.195 176.600 0.199 0.000 1.061 192 K CA 0.452 56.838 56.287 0.166 0.000 0.976 192 K CB 0.732 33.282 32.500 0.084 0.000 0.898 192 K HN 0.415 nan 8.250 nan 0.000 0.492 193 K N 0.933 121.410 120.400 0.128 0.000 2.464 193 K HA 0.431 4.752 4.320 0.000 0.000 0.253 193 K C -1.678 174.892 176.600 -0.050 0.000 0.933 193 K CA -0.520 55.808 56.287 0.069 0.000 0.801 193 K CB 1.608 34.130 32.500 0.037 0.000 1.271 193 K HN -0.102 nan 8.250 nan 0.000 0.430 194 I N 2.625 123.139 120.570 -0.093 0.000 2.500 194 I HA 0.189 4.359 4.170 0.000 0.000 0.286 194 I C -0.945 175.130 176.117 -0.071 0.000 1.063 194 I CA -0.604 60.531 61.300 -0.274 0.000 1.062 194 I CB 2.365 39.945 38.000 -0.700 0.000 1.223 194 I HN 0.484 nan 8.210 nan 0.000 0.435 195 T N 6.018 120.497 114.554 -0.124 0.000 2.756 195 T HA 0.445 4.795 4.350 0.000 0.000 0.290 195 T C -0.375 174.318 174.700 -0.012 0.000 0.985 195 T CA -0.211 61.900 62.100 0.019 0.000 0.955 195 T CB 0.213 69.060 68.868 -0.036 0.000 0.930 195 T HN 0.123 nan 8.240 nan 0.000 0.451 196 F N 3.455 123.485 119.950 0.133 0.000 2.451 196 F HA 0.306 4.833 4.527 0.001 0.000 0.356 196 F C 0.899 176.834 175.800 0.224 0.000 1.178 196 F CA -1.241 56.867 58.000 0.180 0.000 1.210 196 F CB -0.279 38.862 39.000 0.236 0.000 1.504 196 F HN 0.369 nan 8.300 nan 0.000 0.598 197 N N 1.514 120.389 118.700 0.292 0.000 2.359 197 N HA 0.008 4.748 4.740 0.000 0.000 0.261 197 N C -0.430 175.253 175.510 0.289 0.000 1.267 197 N CA 0.086 53.298 53.050 0.270 0.000 0.864 197 N CB 0.728 39.323 38.487 0.179 0.000 1.063 197 N HN 0.157 nan 8.380 nan 0.000 0.474 198 V N 4.842 124.909 119.914 0.256 0.000 2.387 198 V HA 0.204 4.325 4.120 0.000 0.000 0.260 198 V C 0.462 176.650 176.094 0.157 0.000 1.054 198 V CA -0.129 62.304 62.300 0.222 0.000 0.967 198 V CB -0.493 31.434 31.823 0.172 0.000 1.036 198 V HN 0.463 nan 8.190 nan 0.000 0.481 199 I N 7.572 128.228 120.570 0.144 0.000 2.448 199 I HA 0.311 4.482 4.170 0.000 0.000 0.281 199 I C -1.825 174.320 176.117 0.047 0.000 1.027 199 I CA -1.839 59.516 61.300 0.091 0.000 1.111 199 I CB 2.153 40.208 38.000 0.091 0.000 1.236 199 I HN 0.378 nan 8.210 nan 0.000 0.452 200 P HA -0.079 nan 4.420 nan 0.000 0.216 200 P C 0.149 177.444 177.300 -0.008 0.000 1.153 200 P CA 1.021 64.126 63.100 0.009 0.000 0.844 200 P CB 0.180 31.890 31.700 0.017 0.000 0.787 201 D N -0.879 119.524 120.400 0.005 0.000 2.249 201 D HA 0.132 4.772 4.640 0.000 0.000 0.246 201 D C -1.686 174.610 176.300 -0.006 0.000 1.114 201 D CA -2.504 51.495 54.000 -0.001 0.000 0.854 201 D CB 0.892 41.698 40.800 0.010 0.000 1.132 201 D HN -0.117 nan 8.370 nan 0.000 0.461 202 P HA -0.100 nan 4.420 nan 0.000 0.218 202 P C 0.987 178.274 177.300 -0.021 0.000 1.149 202 P CA 1.025 64.102 63.100 -0.038 0.000 0.817 202 P CB 0.246 31.909 31.700 -0.062 0.000 0.785 203 T N -1.248 113.299 114.554 -0.011 0.000 2.770 203 T HA -0.093 4.257 4.350 0.000 0.000 0.263 203 T C 1.701 176.419 174.700 0.030 0.000 1.039 203 T CA 1.876 63.977 62.100 0.001 0.000 1.142 203 T CB -1.313 67.556 68.868 0.001 0.000 0.868 203 T HN 0.162 nan 8.240 nan 0.000 0.435 204 T N 1.650 116.223 114.554 0.032 0.000 2.881 204 T HA -0.027 4.323 4.350 0.000 0.000 0.270 204 T C 2.045 176.785 174.700 0.066 0.000 1.068 204 T CA 0.811 62.940 62.100 0.049 0.000 1.131 204 T CB -0.098 68.795 68.868 0.041 0.000 0.871 204 T HN 0.285 nan 8.240 nan 0.000 0.479 205 R N 0.465 120.999 120.500 0.056 0.000 2.090 205 R HA 0.103 4.443 4.340 0.000 0.000 0.228 205 R C 2.730 179.104 176.300 0.123 0.000 1.110 205 R CA 1.131 57.276 56.100 0.075 0.000 0.973 205 R CB -0.273 30.047 30.300 0.034 0.000 0.869 205 R HN 0.376 nan 8.270 nan 0.000 0.440 206 A N 0.145 123.032 122.820 0.112 0.000 1.897 206 A HA -0.068 4.252 4.320 0.000 0.000 0.215 206 A C 2.215 179.952 177.584 0.255 0.000 1.181 206 A CA 1.011 53.166 52.037 0.197 0.000 0.620 206 A CB -0.402 18.640 19.000 0.069 0.000 0.821 206 A HN 0.120 nan 8.150 nan 0.000 0.443 207 V N 0.147 120.154 119.914 0.154 0.000 2.343 207 V HA -0.267 3.853 4.120 0.000 0.000 0.247 207 V C 3.061 179.221 176.094 0.110 0.000 1.051 207 V CA 1.889 64.264 62.300 0.126 0.000 1.036 207 V CB -1.262 30.609 31.823 0.081 0.000 0.654 207 V HN 0.603 nan 8.190 nan 0.000 0.451 208 A N -0.591 122.297 122.820 0.114 0.000 1.948 208 A HA -0.283 4.037 4.320 0.000 0.000 0.220 208 A C 2.105 179.761 177.584 0.120 0.000 1.177 208 A CA 2.321 54.420 52.037 0.104 0.000 0.636 208 A CB -0.669 18.397 19.000 0.111 0.000 0.815 208 A HN 0.573 nan 8.150 nan 0.000 0.449 209 F N 0.155 120.115 119.950 0.017 0.000 2.187 209 F HA 0.036 4.564 4.527 0.000 0.000 0.295 209 F C 2.086 177.821 175.800 -0.108 0.000 1.091 209 F CA 1.636 59.603 58.000 -0.055 0.000 1.308 209 F CB -0.310 38.639 39.000 -0.084 0.000 1.030 209 F HN 0.346 nan 8.300 nan 0.000 0.487 210 E N -0.372 119.763 120.200 -0.108 0.000 2.085 210 E HA -0.237 4.113 4.350 0.000 0.000 0.194 210 E C 1.606 178.144 176.600 -0.103 0.000 0.994 210 E CA 1.880 58.212 56.400 -0.113 0.000 0.801 210 E CB -0.224 29.558 29.700 0.137 0.000 0.743 210 E HN 0.450 nan 8.360 nan 0.000 0.453 211 T N -2.713 111.803 114.554 -0.064 0.000 3.380 211 T HA 0.218 4.568 4.350 0.000 0.000 0.250 211 T C 1.304 175.945 174.700 -0.098 0.000 1.082 211 T CA 0.375 62.443 62.100 -0.053 0.000 0.968 211 T CB 0.038 68.900 68.868 -0.011 0.000 1.027 211 T HN 0.315 nan 8.240 nan 0.000 0.575 212 G N 1.582 110.263 108.800 -0.198 0.000 2.200 212 G HA2 -0.348 3.612 3.960 0.000 0.000 0.268 212 G HA3 -0.348 3.612 3.960 0.000 0.000 0.268 212 G C 0.712 175.543 174.900 -0.115 0.000 0.986 212 G CA 0.555 45.531 45.100 -0.207 0.000 0.677 212 G HN 0.559 nan 8.290 nan 0.000 0.532 213 D N 0.060 120.418 120.400 -0.070 0.000 2.312 213 D HA 0.050 4.690 4.640 0.000 0.000 0.211 213 D C 1.533 177.840 176.300 0.012 0.000 0.964 213 D CA 1.286 55.276 54.000 -0.018 0.000 0.877 213 D CB 0.082 40.886 40.800 0.006 0.000 0.924 213 D HN 0.785 nan 8.370 nan 0.000 0.515 214 I N -3.316 117.277 120.570 0.038 0.000 2.892 214 I HA 0.326 4.497 4.170 0.000 0.000 0.306 214 I C 0.240 176.449 176.117 0.154 0.000 1.078 214 I CA -0.906 60.452 61.300 0.096 0.000 1.032 214 I CB 2.021 40.112 38.000 0.152 0.000 1.229 214 I HN -0.442 nan 8.210 nan 0.000 0.435 215 D N 1.859 122.352 120.400 0.155 0.000 2.262 215 D HA 0.293 4.933 4.640 0.000 0.000 0.212 215 D C 0.143 176.632 176.300 0.314 0.000 0.964 215 D CA 1.144 55.260 54.000 0.194 0.000 0.875 215 D CB 1.141 41.992 40.800 0.085 0.000 0.996 215 D HN 0.335 nan 8.370 nan 0.000 0.497 216 L N 0.595 121.927 121.223 0.182 0.000 2.409 216 L HA 0.452 4.793 4.340 0.000 0.000 0.262 216 L C -1.671 175.197 176.870 -0.005 0.000 0.992 216 L CA -0.625 54.259 54.840 0.073 0.000 0.817 216 L CB 2.682 44.784 42.059 0.072 0.000 1.350 216 L HN -0.205 nan 8.230 nan 0.000 0.411 217 L N 3.844 125.015 121.223 -0.087 0.000 2.446 217 L HA 0.418 4.758 4.340 0.000 0.000 0.268 217 L C -1.624 175.270 176.870 0.040 0.000 0.975 217 L CA -0.413 54.413 54.840 -0.023 0.000 0.848 217 L CB 2.012 44.004 42.059 -0.112 0.000 1.225 217 L HN 0.476 nan 8.230 nan 0.000 0.410 218 Y N 2.791 123.079 120.300 -0.020 0.000 2.376 218 Y HA 0.811 5.362 4.550 0.000 0.000 0.340 218 Y C 0.289 176.230 175.900 0.068 0.000 0.965 218 Y CA -0.177 57.908 58.100 -0.026 0.000 1.078 218 Y CB 2.174 40.546 38.460 -0.147 0.000 1.193 218 Y HN 0.631 nan 8.280 nan 0.000 0.452 219 G N 3.883 112.820 108.800 0.229 0.000 2.333 219 G HA2 -0.086 3.874 3.960 0.000 0.000 0.330 219 G HA3 -0.086 3.874 3.960 0.000 0.000 0.330 219 G C -1.785 173.139 174.900 0.040 0.000 1.465 219 G CA -1.337 43.935 45.100 0.287 0.000 0.996 219 G HN 0.651 nan 8.290 nan 0.000 0.655 220 N N 0.474 119.202 118.700 0.046 0.000 2.226 220 N HA 0.011 4.752 4.740 0.000 0.000 0.232 220 N C 0.604 176.023 175.510 -0.152 0.000 1.255 220 N CA 0.653 53.668 53.050 -0.058 0.000 0.855 220 N CB 0.264 38.740 38.487 -0.017 0.000 1.095 220 N HN 0.639 nan 8.380 nan 0.000 0.444 221 E N -0.167 119.911 120.200 -0.202 0.000 2.415 221 E HA 0.199 4.549 4.350 0.000 0.000 0.263 221 E C 0.888 177.367 176.600 -0.201 0.000 0.995 221 E CA 0.507 56.750 56.400 -0.262 0.000 0.915 221 E CB 0.226 29.765 29.700 -0.267 0.000 0.951 221 E HN 0.794 nan 8.360 nan 0.000 0.449 222 G N 2.387 111.061 108.800 -0.209 0.000 2.255 222 G HA2 -0.245 3.715 3.960 0.000 0.000 0.196 222 G HA3 -0.245 3.715 3.960 0.000 0.000 0.196 222 G C 0.592 175.380 174.900 -0.187 0.000 0.998 222 G CA 0.028 45.015 45.100 -0.188 0.000 0.656 222 G HN 0.479 nan 8.290 nan 0.000 0.490 223 L N 1.139 122.250 121.223 -0.187 0.000 2.217 223 L HA 0.547 4.888 4.340 0.000 0.000 0.211 223 L C 1.058 177.850 176.870 -0.130 0.000 1.107 223 L CA 1.987 56.719 54.840 -0.179 0.000 0.783 223 L CB -0.142 41.836 42.059 -0.136 0.000 0.919 223 L HN 0.623 nan 8.230 nan 0.000 0.442 224 L N -4.175 116.970 121.223 -0.130 0.000 2.393 224 L HA 0.646 4.987 4.340 0.000 0.000 0.260 224 L C -2.618 174.171 176.870 -0.136 0.000 1.002 224 L CA -2.060 52.715 54.840 -0.109 0.000 0.818 224 L CB 0.993 43.010 42.059 -0.069 0.000 1.369 224 L HN -0.325 nan 8.230 nan 0.000 0.412 225 P HA 0.060 nan 4.420 nan 0.000 0.264 225 P C 0.629 177.830 177.300 -0.165 0.000 1.183 225 P CA 0.013 63.031 63.100 -0.137 0.000 0.763 225 P CB 1.049 32.673 31.700 -0.126 0.000 0.807 226 L N 1.839 122.983 121.223 -0.131 0.000 2.093 226 L HA -0.165 4.176 4.340 0.000 0.000 0.208 226 L C 2.193 178.784 176.870 -0.465 0.000 1.085 226 L CA 1.692 56.439 54.840 -0.155 0.000 0.755 226 L CB -0.680 41.390 42.059 0.018 0.000 0.904 226 L HN 0.425 nan 8.230 nan 0.000 0.435 227 D N -1.281 118.828 120.400 -0.484 0.000 2.123 227 D HA -0.210 4.430 4.640 0.000 0.000 0.196 227 D C 1.817 177.817 176.300 -0.500 0.000 0.992 227 D CA 1.988 55.589 54.000 -0.665 0.000 0.833 227 D CB -0.788 39.912 40.800 -0.166 0.000 0.954 227 D HN 0.125 nan 8.370 nan 0.000 0.455 228 T N -0.424 113.877 114.554 -0.421 0.000 2.821 228 T HA -0.064 4.286 4.350 0.000 0.000 0.267 228 T C 1.450 175.642 174.700 -0.846 0.000 1.046 228 T CA 0.917 62.644 62.100 -0.622 0.000 1.139 228 T CB -0.584 67.929 68.868 -0.592 0.000 0.871 228 T HN 0.194 nan 8.240 nan 0.000 0.454 229 F N 2.213 121.774 119.950 -0.648 0.000 2.102 229 F HA 0.006 4.533 4.527 0.000 0.000 0.298 229 F C 2.425 178.044 175.800 -0.303 0.000 1.105 229 F CA 1.038 58.770 58.000 -0.446 0.000 1.239 229 F CB -0.600 38.223 39.000 -0.296 0.000 0.991 229 F HN 0.135 nan 8.300 nan 0.000 0.474 230 A N 0.737 123.387 122.820 -0.283 0.000 1.902 230 A HA -0.213 4.107 4.320 0.000 0.000 0.217 230 A C 2.438 179.883 177.584 -0.231 0.000 1.181 230 A CA 1.709 53.584 52.037 -0.269 0.000 0.623 230 A CB -0.927 17.841 19.000 -0.388 0.000 0.818 230 A HN 0.459 nan 8.150 nan 0.000 0.443 231 R N -1.419 118.935 120.500 -0.243 0.000 2.091 231 R HA -0.153 4.187 4.340 0.000 0.000 0.238 231 R C 1.753 178.118 176.300 0.109 0.000 1.136 231 R CA 1.819 57.871 56.100 -0.081 0.000 0.959 231 R CB -0.417 29.825 30.300 -0.096 0.000 0.856 231 R HN 0.441 nan 8.270 nan 0.000 0.437 232 F N 0.886 120.754 119.950 -0.136 0.000 2.171 232 F HA -0.096 4.431 4.527 0.000 0.000 0.300 232 F C 2.639 178.384 175.800 -0.091 0.000 1.090 232 F CA 0.919 58.882 58.000 -0.062 0.000 1.293 232 F CB -1.024 37.804 39.000 -0.286 0.000 1.013 232 F HN 0.019 nan 8.300 nan 0.000 0.486 233 S N -0.406 115.230 115.700 -0.105 0.000 2.383 233 S HA -0.219 4.251 4.470 0.000 0.000 0.229 233 S C 1.768 176.343 174.600 -0.041 0.000 1.030 233 S CA 1.203 59.299 58.200 -0.173 0.000 1.002 233 S CB -0.366 62.676 63.200 -0.263 0.000 0.829 233 S HN 0.508 nan 8.310 nan 0.000 0.467 234 Q N 0.527 120.326 119.800 -0.002 0.000 2.444 234 Q HA 0.134 4.474 4.340 0.000 0.000 0.206 234 Q C 0.145 176.165 176.000 0.033 0.000 0.948 234 Q CA 0.091 55.903 55.803 0.016 0.000 0.946 234 Q CB 0.010 28.758 28.738 0.017 0.000 1.027 234 Q HN 0.227 nan 8.270 nan 0.000 0.513 235 N N 0.711 119.451 118.700 0.066 0.000 2.442 235 N HA 0.150 4.891 4.740 0.000 0.000 0.274 235 N C -2.382 173.114 175.510 -0.023 0.000 1.002 235 N CA -2.219 50.851 53.050 0.033 0.000 0.910 235 N CB 1.672 40.221 38.487 0.104 0.000 1.244 235 N HN -0.227 nan 8.380 nan 0.000 0.492 236 P HA 0.061 nan 4.420 nan 0.000 0.234 236 P C 0.860 178.074 177.300 -0.143 0.000 1.167 236 P CA 0.409 63.471 63.100 -0.063 0.000 0.763 236 P CB 0.187 31.857 31.700 -0.050 0.000 0.835 237 A N -1.740 120.890 122.820 -0.317 0.000 2.076 237 A HA -0.132 4.188 4.320 0.000 0.000 0.220 237 A C 0.362 177.636 177.584 -0.517 0.000 1.160 237 A CA 1.271 52.986 52.037 -0.535 0.000 0.653 237 A CB -1.037 17.438 19.000 -0.876 0.000 0.801 237 A HN 0.163 nan 8.150 nan 0.000 0.455 238 Y N -2.480 117.798 120.300 -0.037 0.000 2.485 238 Y HA 0.570 5.120 4.550 0.000 0.000 0.345 238 Y C -0.060 175.885 175.900 0.075 0.000 0.998 238 Y CA -1.892 56.220 58.100 0.020 0.000 1.059 238 Y CB 0.804 39.250 38.460 -0.024 0.000 1.234 238 Y HN 0.249 nan 8.280 nan 0.000 0.461 239 H N 1.073 120.252 119.070 0.180 0.000 2.517 239 H HA 0.577 5.133 4.556 0.000 0.000 0.317 239 H C -0.493 174.862 175.328 0.045 0.000 1.080 239 H CA -0.430 55.669 56.048 0.085 0.000 1.301 239 H CB 0.937 30.736 29.762 0.063 0.000 1.425 239 H HN 0.757 nan 8.280 nan 0.000 0.471 240 T N 2.378 116.676 114.554 -0.427 0.000 2.907 240 T HA 0.622 4.972 4.350 0.000 0.000 0.292 240 T C -0.719 173.737 174.700 -0.407 0.000 1.043 240 T CA -0.993 60.886 62.100 -0.369 0.000 1.003 240 T CB 2.079 70.651 68.868 -0.494 0.000 1.084 240 T HN 0.698 nan 8.240 nan 0.000 0.483 241 Q N 0.900 120.641 119.800 -0.099 0.000 2.501 241 Q HA 0.701 5.041 4.340 0.000 0.000 0.288 241 Q C -1.480 174.639 176.000 0.198 0.000 1.051 241 Q CA -1.105 54.718 55.803 0.033 0.000 0.788 241 Q CB 2.961 31.723 28.738 0.040 0.000 1.469 241 Q HN 0.596 nan 8.270 nan 0.000 0.416 242 L N 1.325 122.647 121.223 0.165 0.000 2.436 242 L HA 0.456 4.797 4.340 0.000 0.000 0.268 242 L C -0.106 176.749 176.870 -0.025 0.000 0.974 242 L CA -0.698 54.172 54.840 0.050 0.000 0.826 242 L CB 2.345 44.430 42.059 0.044 0.000 1.291 242 L HN 0.854 nan 8.230 nan 0.000 0.406 243 S N 2.329 117.816 115.700 -0.355 0.000 2.634 243 S HA 0.315 4.785 4.470 0.000 0.000 0.261 243 S C -0.027 174.407 174.600 -0.277 0.000 1.271 243 S CA -0.727 57.073 58.200 -0.667 0.000 0.985 243 S CB 0.834 63.432 63.200 -1.004 0.000 0.968 243 S HN 0.589 nan 8.310 nan 0.000 0.568 244 Q N 1.617 121.284 119.800 -0.220 0.000 2.395 244 Q HA 0.202 4.542 4.340 0.000 0.000 0.271 244 Q C -2.160 173.759 176.000 -0.135 0.000 1.026 244 Q CA -1.339 54.389 55.803 -0.125 0.000 0.900 244 Q CB -0.297 28.390 28.738 -0.084 0.000 1.266 244 Q HN 0.534 nan 8.270 nan 0.000 0.430 245 P HA -0.093 nan 4.420 nan 0.000 0.262 245 P C 0.215 177.474 177.300 -0.067 0.000 1.182 245 P CA 0.480 63.545 63.100 -0.058 0.000 0.761 245 P CB 0.394 32.093 31.700 -0.001 0.000 0.795 246 I N 0.539 121.078 120.570 -0.051 0.000 4.312 246 I HA 0.285 4.455 4.170 0.000 0.000 0.324 246 I C 0.372 176.487 176.117 -0.003 0.000 1.298 246 I CA 0.332 61.614 61.300 -0.031 0.000 1.231 246 I CB -0.530 37.456 38.000 -0.023 0.000 1.152 246 I HN 0.370 nan 8.210 nan 0.000 0.421 247 E N 0.971 121.176 120.200 0.008 0.000 2.454 247 E HA 0.512 4.862 4.350 0.000 0.000 0.279 247 E C -1.184 175.443 176.600 0.045 0.000 1.029 247 E CA -0.854 55.547 56.400 0.002 0.000 0.831 247 E CB 1.083 30.774 29.700 -0.014 0.000 1.405 247 E HN -0.039 nan 8.360 nan 0.000 0.463 248 T N 0.685 115.218 114.554 -0.035 0.000 2.875 248 T HA 0.420 4.770 4.350 0.000 0.000 0.284 248 T C -0.679 173.931 174.700 -0.151 0.000 0.995 248 T CA -0.753 61.316 62.100 -0.052 0.000 1.060 248 T CB 1.586 70.371 68.868 -0.138 0.000 0.967 248 T HN 0.366 nan 8.240 nan 0.000 0.476 249 V N 5.996 125.832 119.914 -0.129 0.000 2.448 249 V HA 0.857 4.977 4.120 0.000 0.000 0.295 249 V C -0.685 175.355 176.094 -0.090 0.000 1.025 249 V CA -0.773 61.488 62.300 -0.065 0.000 0.859 249 V CB 0.944 32.767 31.823 0.001 0.000 0.988 249 V HN 0.960 nan 8.190 nan 0.000 0.431 250 M N 6.218 125.778 119.600 -0.068 0.000 2.721 250 M HA 0.583 5.063 4.480 0.000 0.000 0.271 250 M C -2.312 173.898 176.300 -0.149 0.000 1.259 250 M CA -0.861 54.369 55.300 -0.116 0.000 0.835 250 M CB 2.279 34.799 32.600 -0.134 0.000 1.689 250 M HN 0.442 nan 8.290 nan 0.000 0.470 251 L N 2.152 123.256 121.223 -0.198 0.000 2.275 251 L HA 0.660 5.000 4.340 0.000 0.000 0.288 251 L C 0.310 177.187 176.870 0.011 0.000 1.046 251 L CA -0.786 53.908 54.840 -0.244 0.000 0.805 251 L CB 1.587 43.458 42.059 -0.313 0.000 1.193 251 L HN 0.926 nan 8.230 nan 0.000 0.426 252 A N 5.832 128.678 122.820 0.043 0.000 2.347 252 A HA 0.504 4.824 4.320 0.000 0.000 0.287 252 A C -0.237 177.371 177.584 0.039 0.000 1.199 252 A CA -0.366 51.726 52.037 0.092 0.000 0.851 252 A CB -0.004 19.009 19.000 0.021 0.000 1.118 252 A HN 0.668 nan 8.150 nan 0.000 0.525 253 L N 2.971 124.175 121.223 -0.031 0.000 2.276 253 L HA 0.226 4.566 4.340 0.000 0.000 0.286 253 L C 0.457 177.321 176.870 -0.011 0.000 1.061 253 L CA -0.758 54.068 54.840 -0.023 0.000 0.807 253 L CB 0.886 42.885 42.059 -0.101 0.000 1.177 253 L HN 0.677 nan 8.230 nan 0.000 0.429 254 N N 1.963 120.661 118.700 -0.003 0.000 2.421 254 N HA -0.020 4.721 4.740 0.000 0.000 0.260 254 N C 1.140 176.551 175.510 -0.165 0.000 1.173 254 N CA -0.018 52.939 53.050 -0.156 0.000 0.960 254 N CB 0.938 39.187 38.487 -0.397 0.000 1.273 254 N HN 0.673 nan 8.380 nan 0.000 0.497 255 T N -0.250 114.209 114.554 -0.159 0.000 3.155 255 T HA 0.031 4.381 4.350 0.000 0.000 0.264 255 T C 1.236 175.852 174.700 -0.141 0.000 1.160 255 T CA 0.721 62.736 62.100 -0.142 0.000 1.075 255 T CB 0.114 68.897 68.868 -0.143 0.000 0.921 255 T HN 0.327 nan 8.240 nan 0.000 0.533 256 A N 0.209 122.924 122.820 -0.176 0.000 2.288 256 A HA 0.396 4.717 4.320 0.000 0.000 0.216 256 A C 0.894 178.385 177.584 -0.156 0.000 1.199 256 A CA -0.235 51.702 52.037 -0.167 0.000 0.891 256 A CB 0.280 19.162 19.000 -0.197 0.000 0.923 256 A HN 0.401 nan 8.150 nan 0.000 0.500 257 K N 0.798 121.094 120.400 -0.173 0.000 2.244 257 K HA 0.618 4.938 4.320 0.000 0.000 0.260 257 K C -0.198 176.352 176.600 -0.083 0.000 0.951 257 K CA -0.422 55.784 56.287 -0.134 0.000 0.826 257 K CB 1.814 34.213 32.500 -0.168 0.000 1.108 257 K HN 0.272 nan 8.250 nan 0.000 0.433 258 A N 3.761 126.558 122.820 -0.039 0.000 2.520 258 A HA 0.118 4.439 4.320 0.000 0.000 0.235 258 A C -1.525 176.055 177.584 -0.006 0.000 1.065 258 A CA -0.622 51.423 52.037 0.013 0.000 0.764 258 A CB -0.170 18.867 19.000 0.061 0.000 1.002 258 A HN 0.572 nan 8.150 nan 0.000 0.502 259 P HA 0.011 nan 4.420 nan 0.000 0.255 259 P C 0.908 178.175 177.300 -0.054 0.000 1.248 259 P CA 0.965 64.069 63.100 0.007 0.000 0.807 259 P CB -0.185 31.426 31.700 -0.148 0.000 1.150 260 T N -1.879 112.626 114.554 -0.081 0.000 3.113 260 T HA -0.098 4.253 4.350 0.000 0.000 0.263 260 T C 1.459 176.111 174.700 -0.080 0.000 1.143 260 T CA 0.719 62.763 62.100 -0.093 0.000 1.090 260 T CB -1.011 67.801 68.868 -0.094 0.000 0.922 260 T HN 0.158 nan 8.240 nan 0.000 0.521 261 N N 1.634 120.300 118.700 -0.057 0.000 2.494 261 N HA -0.071 4.669 4.740 0.000 0.000 0.182 261 N C 0.092 175.585 175.510 -0.028 0.000 1.076 261 N CA 0.214 53.231 53.050 -0.053 0.000 0.908 261 N CB -0.281 38.176 38.487 -0.050 0.000 0.967 261 N HN 0.561 nan 8.380 nan 0.000 0.449 262 E N 0.260 120.461 120.200 0.002 0.000 2.259 262 E HA 0.077 4.428 4.350 0.000 0.000 0.281 262 E C 0.652 177.247 176.600 -0.009 0.000 1.027 262 E CA -0.574 55.840 56.400 0.024 0.000 0.838 262 E CB 1.791 31.553 29.700 0.103 0.000 1.066 262 E HN 0.017 nan 8.360 nan 0.000 0.401 263 L N 3.974 125.189 121.223 -0.014 0.000 2.079 263 L HA -0.183 4.157 4.340 0.000 0.000 0.210 263 L C 2.021 178.877 176.870 -0.024 0.000 1.081 263 L CA 2.266 57.086 54.840 -0.034 0.000 0.752 263 L CB -0.594 41.447 42.059 -0.030 0.000 0.896 263 L HN 0.733 nan 8.230 nan 0.000 0.433 264 A N -1.453 121.374 122.820 0.012 0.000 1.972 264 A HA -0.127 4.193 4.320 0.000 0.000 0.219 264 A C 2.269 179.857 177.584 0.007 0.000 1.169 264 A CA 1.846 53.901 52.037 0.030 0.000 0.635 264 A CB -0.919 18.123 19.000 0.071 0.000 0.810 264 A HN 0.309 nan 8.150 nan 0.000 0.446 265 V N -0.330 119.574 119.914 -0.017 0.000 2.453 265 V HA -0.177 3.943 4.120 0.000 0.000 0.247 265 V C 2.601 178.636 176.094 -0.098 0.000 1.048 265 V CA 1.931 64.176 62.300 -0.092 0.000 1.049 265 V CB -0.671 31.059 31.823 -0.155 0.000 0.672 265 V HN 0.518 nan 8.190 nan 0.000 0.457 266 R N -0.310 120.134 120.500 -0.092 0.000 2.090 266 R HA -0.125 4.215 4.340 0.000 0.000 0.228 266 R C 2.297 178.519 176.300 -0.131 0.000 1.110 266 R CA 1.349 57.381 56.100 -0.113 0.000 0.973 266 R CB -0.195 30.035 30.300 -0.117 0.000 0.869 266 R HN 0.575 nan 8.270 nan 0.000 0.440 267 E N 0.555 120.682 120.200 -0.121 0.000 2.051 267 E HA -0.191 4.159 4.350 0.000 0.000 0.192 267 E C 2.041 178.576 176.600 -0.109 0.000 0.991 267 E CA 1.250 57.551 56.400 -0.166 0.000 0.799 267 E CB -0.070 29.578 29.700 -0.087 0.000 0.748 267 E HN 0.343 nan 8.360 nan 0.000 0.449 268 A N 0.970 123.792 122.820 0.002 0.000 1.883 268 A HA -0.203 4.117 4.320 0.000 0.000 0.217 268 A C 2.177 179.774 177.584 0.023 0.000 1.186 268 A CA 1.306 53.385 52.037 0.069 0.000 0.624 268 A CB -0.772 18.237 19.000 0.015 0.000 0.822 268 A HN 0.177 nan 8.150 nan 0.000 0.444 269 L N -0.250 120.943 121.223 -0.051 0.000 2.083 269 L HA -0.179 4.161 4.340 0.000 0.000 0.209 269 L C 1.887 178.725 176.870 -0.054 0.000 1.083 269 L CA 1.180 55.986 54.840 -0.057 0.000 0.752 269 L CB -0.643 41.363 42.059 -0.089 0.000 0.899 269 L HN 0.427 nan 8.230 nan 0.000 0.433 270 N N -1.065 117.563 118.700 -0.120 0.000 2.571 270 N HA -0.121 4.619 4.740 0.000 0.000 0.189 270 N C 0.695 176.119 175.510 -0.145 0.000 1.154 270 N CA 0.774 53.723 53.050 -0.168 0.000 0.907 270 N CB 0.290 38.607 38.487 -0.283 0.000 0.977 270 N HN 0.363 nan 8.380 nan 0.000 0.449 271 Y N -0.902 119.391 120.300 -0.012 0.000 2.432 271 Y HA 0.340 4.890 4.550 0.000 0.000 0.252 271 Y C 1.706 177.616 175.900 0.018 0.000 1.097 271 Y CA -0.659 57.435 58.100 -0.010 0.000 1.250 271 Y CB 0.179 38.608 38.460 -0.053 0.000 1.245 271 Y HN -0.056 nan 8.280 nan 0.000 0.522 272 A N -0.481 122.450 122.820 0.186 0.000 2.147 272 A HA 0.293 4.613 4.320 0.000 0.000 0.211 272 A C 0.394 178.130 177.584 0.254 0.000 1.160 272 A CA 0.363 52.501 52.037 0.167 0.000 0.781 272 A CB -0.200 18.847 19.000 0.079 0.000 0.842 272 A HN -0.043 nan 8.150 nan 0.000 0.475 273 V N 2.004 122.039 119.914 0.202 0.000 2.383 273 V HA 0.182 4.302 4.120 0.000 0.000 0.275 273 V C -0.139 176.004 176.094 0.082 0.000 1.036 273 V CA -0.838 61.525 62.300 0.104 0.000 0.889 273 V CB 1.066 32.894 31.823 0.009 0.000 0.985 273 V HN 0.446 nan 8.190 nan 0.000 0.459 274 N N 4.875 123.432 118.700 -0.239 0.000 2.605 274 N HA 0.145 4.886 4.740 0.000 0.000 0.258 274 N C 1.092 176.414 175.510 -0.314 0.000 1.156 274 N CA -0.008 52.623 53.050 -0.699 0.000 1.008 274 N CB 0.507 38.270 38.487 -1.207 0.000 1.354 274 N HN 0.632 nan 8.380 nan 0.000 0.509 275 K N 2.156 122.454 120.400 -0.170 0.000 2.062 275 K HA -0.125 4.196 4.320 0.000 0.000 0.205 275 K C 1.458 177.978 176.600 -0.134 0.000 1.051 275 K CA 0.770 56.982 56.287 -0.125 0.000 0.941 275 K CB 0.080 32.527 32.500 -0.088 0.000 0.719 275 K HN 0.213 nan 8.250 nan 0.000 0.440 276 K N 1.226 121.549 120.400 -0.129 0.000 2.081 276 K HA -0.261 4.059 4.320 0.000 0.000 0.222 276 K C 2.376 178.894 176.600 -0.138 0.000 1.055 276 K CA 2.382 58.599 56.287 -0.116 0.000 0.954 276 K CB -0.483 31.949 32.500 -0.114 0.000 0.732 276 K HN 0.155 nan 8.250 nan 0.000 0.458 277 S N -0.786 114.802 115.700 -0.186 0.000 2.458 277 S HA 0.010 4.481 4.470 0.000 0.000 0.223 277 S C 1.781 176.279 174.600 -0.170 0.000 1.019 277 S CA 0.554 58.645 58.200 -0.181 0.000 0.937 277 S CB -0.145 62.927 63.200 -0.214 0.000 0.788 277 S HN 0.320 nan 8.310 nan 0.000 0.511 278 L N 0.959 122.085 121.223 -0.161 0.000 2.056 278 L HA 0.124 4.465 4.340 0.000 0.000 0.207 278 L C 1.864 178.657 176.870 -0.128 0.000 1.078 278 L CA 1.475 56.234 54.840 -0.134 0.000 0.749 278 L CB -0.449 41.543 42.059 -0.111 0.000 0.901 278 L HN 0.288 nan 8.230 nan 0.000 0.433 279 I N 0.097 120.595 120.570 -0.120 0.000 2.094 279 I HA -0.251 3.919 4.170 0.000 0.000 0.234 279 I C 2.076 178.120 176.117 -0.122 0.000 1.063 279 I CA 1.596 62.835 61.300 -0.102 0.000 1.328 279 I CB -0.687 37.263 38.000 -0.084 0.000 1.058 279 I HN 0.227 nan 8.210 nan 0.000 0.400 280 D N 0.349 120.673 120.400 -0.127 0.000 2.149 280 D HA -0.144 4.496 4.640 0.000 0.000 0.198 280 D C 1.691 177.848 176.300 -0.238 0.000 0.990 280 D CA 1.326 55.243 54.000 -0.137 0.000 0.839 280 D CB -0.389 40.345 40.800 -0.109 0.000 0.948 280 D HN 0.456 nan 8.370 nan 0.000 0.460 281 N N 0.068 118.605 118.700 -0.272 0.000 2.234 281 N HA 0.145 4.885 4.740 0.000 0.000 0.217 281 N C 1.447 176.613 175.510 -0.574 0.000 1.028 281 N CA 0.540 53.345 53.050 -0.407 0.000 1.080 281 N CB -0.224 38.102 38.487 -0.269 0.000 1.341 281 N HN -0.050 nan 8.380 nan 0.000 0.574 282 A N 0.095 122.719 122.820 -0.326 0.000 2.285 282 A HA -0.051 4.269 4.320 0.000 0.000 0.214 282 A C 1.223 178.785 177.584 -0.037 0.000 1.188 282 A CA 1.210 53.136 52.037 -0.185 0.000 0.707 282 A CB -0.838 18.103 19.000 -0.099 0.000 0.771 282 A HN 0.352 nan 8.150 nan 0.000 0.488 283 L N -4.758 116.413 121.223 -0.087 0.000 3.128 283 L HA 0.221 4.561 4.340 0.000 0.000 0.277 283 L C -0.173 176.849 176.870 0.254 0.000 1.171 283 L CA -0.338 54.567 54.840 0.108 0.000 1.008 283 L CB 0.359 42.410 42.059 -0.012 0.000 1.442 283 L HN 0.345 nan 8.230 nan 0.000 0.584 284 Y N 0.434 120.712 120.300 -0.036 0.000 3.892 284 Y HA -0.194 4.356 4.550 0.000 0.000 0.231 284 Y C 1.491 177.389 175.900 -0.004 0.000 1.266 284 Y CA 0.585 58.677 58.100 -0.013 0.000 1.856 284 Y CB -2.316 36.150 38.460 0.010 0.000 1.578 284 Y HN 0.337 nan 8.280 nan 0.000 0.669 285 G N -0.980 107.848 108.800 0.047 0.000 2.205 285 G HA2 -0.423 3.537 3.960 0.000 0.000 0.269 285 G HA3 -0.423 3.537 3.960 0.000 0.000 0.269 285 G C 1.021 175.951 174.900 0.049 0.000 0.977 285 G CA 1.371 46.491 45.100 0.034 0.000 0.652 285 G HN 1.308 nan 8.290 nan 0.000 0.539 286 T N -2.558 112.038 114.554 0.070 0.000 3.160 286 T HA 0.433 4.783 4.350 0.000 0.000 0.257 286 T C 0.710 175.404 174.700 -0.010 0.000 1.147 286 T CA 1.396 63.522 62.100 0.044 0.000 1.064 286 T CB 0.098 69.000 68.868 0.056 0.000 0.949 286 T HN 0.702 nan 8.240 nan 0.000 0.526 287 Q N -0.172 119.621 119.800 -0.011 0.000 2.501 287 Q HA 0.603 4.943 4.340 0.000 0.000 0.288 287 Q C -1.532 174.463 176.000 -0.008 0.000 1.051 287 Q CA -1.182 54.609 55.803 -0.020 0.000 0.788 287 Q CB 1.698 30.408 28.738 -0.048 0.000 1.469 287 Q HN 0.153 nan 8.270 nan 0.000 0.416 288 Q N 0.149 119.959 119.800 0.017 0.000 2.248 288 Q HA 0.489 4.829 4.340 0.000 0.000 0.263 288 Q C -1.380 174.593 176.000 -0.045 0.000 1.007 288 Q CA -0.712 55.107 55.803 0.026 0.000 0.877 288 Q CB 1.941 30.738 28.738 0.098 0.000 1.315 288 Q HN 0.498 nan 8.270 nan 0.000 0.454 289 V N 2.415 122.296 119.914 -0.054 0.000 2.521 289 V HA 0.492 4.612 4.120 0.000 0.000 0.286 289 V C 0.040 175.996 176.094 -0.229 0.000 1.034 289 V CA 0.172 62.395 62.300 -0.128 0.000 1.045 289 V CB 0.215 32.000 31.823 -0.063 0.000 0.974 289 V HN 0.801 nan 8.190 nan 0.000 0.480 290 A N 3.715 126.251 122.820 -0.474 0.000 2.305 290 A HA 0.543 4.863 4.320 0.000 0.000 0.322 290 A C 0.495 177.939 177.584 -0.234 0.000 1.187 290 A CA -0.559 51.051 52.037 -0.712 0.000 0.825 290 A CB 0.471 18.697 19.000 -1.290 0.000 1.164 290 A HN 0.877 nan 8.150 nan 0.000 0.498 291 D N 0.561 120.938 120.400 -0.038 0.000 2.454 291 D HA 0.070 4.710 4.640 0.000 0.000 0.214 291 D C 0.229 176.583 176.300 0.090 0.000 1.088 291 D CA 1.201 55.225 54.000 0.039 0.000 0.855 291 D CB 0.737 41.581 40.800 0.072 0.000 1.025 291 D HN 0.695 nan 8.370 nan 0.000 0.502 292 T N -1.590 113.012 114.554 0.080 0.000 2.903 292 T HA 0.274 4.624 4.350 0.000 0.000 0.299 292 T C 0.886 175.580 174.700 -0.011 0.000 1.093 292 T CA -0.759 61.374 62.100 0.055 0.000 1.002 292 T CB 2.506 71.367 68.868 -0.012 0.000 1.127 292 T HN -0.186 nan 8.240 nan 0.000 0.488 293 L N 0.786 121.920 121.223 -0.149 0.000 2.051 293 L HA 0.190 4.531 4.340 0.000 0.000 0.214 293 L C 0.015 176.529 176.870 -0.593 0.000 1.076 293 L CA 1.719 56.248 54.840 -0.517 0.000 0.758 293 L CB -0.638 40.980 42.059 -0.735 0.000 0.890 293 L HN 0.724 nan 8.230 nan 0.000 0.433 294 F N -0.340 119.570 119.950 -0.068 0.000 2.458 294 F HA 0.586 5.113 4.527 0.000 0.000 0.336 294 F C 0.761 176.496 175.800 -0.107 0.000 1.114 294 F CA -0.900 57.036 58.000 -0.106 0.000 0.987 294 F CB 0.795 39.715 39.000 -0.134 0.000 1.130 294 F HN -0.031 nan 8.300 nan 0.000 0.458 295 A N 4.580 127.324 122.820 -0.127 0.000 2.483 295 A HA 0.206 4.526 4.320 0.000 0.000 0.238 295 A C -1.763 175.682 177.584 -0.231 0.000 1.070 295 A CA -1.005 50.691 52.037 -0.567 0.000 0.770 295 A CB -0.090 18.198 19.000 -1.187 0.000 1.008 295 A HN 0.632 nan 8.150 nan 0.000 0.497 296 P HA -0.140 nan 4.420 nan 0.000 0.223 296 P C 1.336 178.560 177.300 -0.127 0.000 1.144 296 P CA 1.864 64.901 63.100 -0.106 0.000 0.783 296 P CB 0.144 31.797 31.700 -0.078 0.000 0.771 297 S N -2.594 113.002 115.700 -0.173 0.000 2.524 297 S HA 0.046 4.516 4.470 0.000 0.000 0.216 297 S C 0.823 175.323 174.600 -0.167 0.000 0.987 297 S CA -0.171 57.936 58.200 -0.155 0.000 0.909 297 S CB -1.031 62.077 63.200 -0.153 0.000 0.781 297 S HN -0.153 nan 8.310 nan 0.000 0.521 298 V N 4.444 124.245 119.914 -0.188 0.000 2.617 298 V HA 0.137 4.257 4.120 0.000 0.000 0.304 298 V C -2.128 173.815 176.094 -0.252 0.000 1.040 298 V CA -1.217 60.947 62.300 -0.226 0.000 1.149 298 V CB -0.237 31.411 31.823 -0.292 0.000 0.914 298 V HN 0.288 nan 8.190 nan 0.000 0.487 299 P HA 0.030 nan 4.420 nan 0.000 0.264 299 P C -0.257 176.792 177.300 -0.418 0.000 1.183 299 P CA 0.466 63.315 63.100 -0.418 0.000 0.763 299 P CB -0.031 31.429 31.700 -0.400 0.000 0.807 300 Y N 0.401 120.582 120.300 -0.198 0.000 4.929 300 Y HA -0.289 4.261 4.550 0.001 0.000 0.253 300 Y C 1.439 177.250 175.900 -0.149 0.000 0.946 300 Y CA 1.087 59.072 58.100 -0.192 0.000 1.905 300 Y CB -2.671 35.541 38.460 -0.413 0.000 1.400 300 Y HN 0.479 nan 8.280 nan 0.000 0.531 301 A N -0.609 122.179 122.820 -0.053 0.000 2.390 301 A HA 0.309 4.630 4.320 0.000 0.000 0.232 301 A C 0.776 178.359 177.584 -0.001 0.000 1.233 301 A CA 0.277 52.312 52.037 -0.003 0.000 0.907 301 A CB -0.043 18.951 19.000 -0.010 0.000 0.967 301 A HN 0.282 nan 8.150 nan 0.000 0.512 302 N N 1.229 119.916 118.700 -0.021 0.000 2.605 302 N HA 0.244 4.984 4.740 0.000 0.000 0.258 302 N C 0.167 175.682 175.510 0.008 0.000 1.156 302 N CA -0.003 53.036 53.050 -0.018 0.000 1.008 302 N CB 0.196 38.663 38.487 -0.034 0.000 1.354 302 N HN 0.093 nan 8.380 nan 0.000 0.509 303 L N 1.108 122.338 121.223 0.012 0.000 2.858 303 L HA 0.430 4.770 4.340 0.000 0.000 0.251 303 L C 1.489 178.365 176.870 0.010 0.000 1.149 303 L CA 0.118 54.972 54.840 0.024 0.000 0.955 303 L CB -0.765 41.320 42.059 0.044 0.000 1.289 303 L HN 0.642 nan 8.230 nan 0.000 0.542 304 G N 0.678 109.476 108.800 -0.003 0.000 2.143 304 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 304 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 304 G C 0.352 175.246 174.900 -0.011 0.000 0.991 304 G CA 0.025 45.126 45.100 0.000 0.000 0.689 304 G HN 0.294 nan 8.290 nan 0.000 0.522 305 L N 0.039 121.226 121.223 -0.060 0.000 2.490 305 L HA 0.240 4.580 4.340 0.000 0.000 0.274 305 L C 1.225 178.064 176.870 -0.052 0.000 1.201 305 L CA -0.369 54.395 54.840 -0.126 0.000 0.869 305 L CB 0.533 42.344 42.059 -0.413 0.000 1.123 305 L HN 0.185 nan 8.230 nan 0.000 0.484 306 K N 5.176 125.621 120.400 0.075 0.000 2.473 306 K HA 0.021 4.341 4.320 0.000 0.000 0.277 306 K C -2.241 174.452 176.600 0.155 0.000 1.052 306 K CA -0.667 55.700 56.287 0.133 0.000 1.114 306 K CB 0.254 32.855 32.500 0.170 0.000 0.869 306 K HN 0.160 nan 8.250 nan 0.000 0.481 307 P HA -0.013 nan 4.420 nan 0.000 0.270 307 P C -0.939 176.431 177.300 0.116 0.000 1.223 307 P CA -0.367 62.792 63.100 0.099 0.000 0.785 307 P CB 0.967 32.712 31.700 0.075 0.000 0.923 308 S N 1.035 116.794 115.700 0.099 0.000 2.505 308 S HA 0.130 4.601 4.470 0.000 0.000 0.276 308 S C -0.066 174.608 174.600 0.124 0.000 1.274 308 S CA -0.333 57.912 58.200 0.076 0.000 1.053 308 S CB -0.263 62.960 63.200 0.039 0.000 0.919 308 S HN 0.262 nan 8.310 nan 0.000 0.490 309 Q N 2.104 122.028 119.800 0.207 0.000 2.237 309 Q HA 0.351 4.691 4.340 0.000 0.000 0.219 309 Q C -1.245 174.930 176.000 0.292 0.000 0.999 309 Q CA -0.545 55.403 55.803 0.242 0.000 0.959 309 Q CB 0.696 29.594 28.738 0.266 0.000 1.173 309 Q HN 0.759 nan 8.270 nan 0.000 0.527 310 Y N 0.994 121.356 120.300 0.104 0.000 2.328 310 Y HA 0.369 4.919 4.550 0.000 0.000 0.337 310 Y C -1.398 174.524 175.900 0.037 0.000 0.966 310 Y CA -0.865 57.282 58.100 0.078 0.000 1.136 310 Y CB 1.148 39.625 38.460 0.030 0.000 1.170 310 Y HN 0.493 nan 8.280 nan 0.000 0.470 311 D N 8.559 128.678 120.400 -0.468 0.000 2.634 311 D HA 0.213 4.853 4.640 0.000 0.000 0.236 311 D C -2.494 173.529 176.300 -0.462 0.000 1.323 311 D CA -1.411 52.272 54.000 -0.527 0.000 0.884 311 D CB 1.495 42.023 40.800 -0.452 0.000 1.496 311 D HN 0.291 nan 8.370 nan 0.000 0.525 312 P HA -0.145 nan 4.420 nan 0.000 0.221 312 P C 1.403 178.581 177.300 -0.203 0.000 1.145 312 P CA 1.044 63.980 63.100 -0.273 0.000 0.795 312 P CB 0.526 32.084 31.700 -0.237 0.000 0.775 313 Q N 0.196 119.851 119.800 -0.241 0.000 1.994 313 Q HA -0.086 4.255 4.340 0.000 0.000 0.198 313 Q C 2.025 177.910 176.000 -0.192 0.000 0.976 313 Q CA 1.498 57.193 55.803 -0.181 0.000 0.828 313 Q CB -0.782 27.854 28.738 -0.169 0.000 0.894 313 Q HN 0.349 nan 8.270 nan 0.000 0.432 314 K N 0.827 121.045 120.400 -0.303 0.000 2.097 314 K HA -0.063 4.257 4.320 0.000 0.000 0.206 314 K C 2.123 178.599 176.600 -0.207 0.000 1.049 314 K CA 1.119 57.202 56.287 -0.341 0.000 0.933 314 K CB -0.203 31.887 32.500 -0.683 0.000 0.717 314 K HN 0.166 nan 8.250 nan 0.000 0.442 315 A N 1.775 124.496 122.820 -0.165 0.000 1.908 315 A HA -0.226 4.094 4.320 0.000 0.000 0.218 315 A C 1.942 179.523 177.584 -0.004 0.000 1.181 315 A CA 1.672 53.719 52.037 0.017 0.000 0.627 315 A CB -0.316 18.713 19.000 0.048 0.000 0.818 315 A HN 0.182 nan 8.150 nan 0.000 0.445 316 K N -0.580 119.796 120.400 -0.040 0.000 2.097 316 K HA 0.005 4.326 4.320 0.000 0.000 0.205 316 K C 2.219 178.818 176.600 -0.003 0.000 1.050 316 K CA 1.047 57.322 56.287 -0.019 0.000 0.938 316 K CB -0.251 32.228 32.500 -0.035 0.000 0.718 316 K HN 0.451 nan 8.250 nan 0.000 0.442 317 A N 0.881 123.687 122.820 -0.022 0.000 1.929 317 A HA -0.072 4.248 4.320 0.000 0.000 0.216 317 A C 2.019 179.614 177.584 0.019 0.000 1.176 317 A CA 0.981 53.013 52.037 -0.009 0.000 0.628 317 A CB -0.459 18.521 19.000 -0.034 0.000 0.816 317 A HN 0.144 nan 8.150 nan 0.000 0.444 318 L N -0.611 120.629 121.223 0.030 0.000 2.017 318 L HA -0.199 4.141 4.340 0.000 0.000 0.208 318 L C 2.586 179.507 176.870 0.086 0.000 1.073 318 L CA 1.240 56.116 54.840 0.060 0.000 0.745 318 L CB -0.564 41.545 42.059 0.084 0.000 0.894 318 L HN 0.378 nan 8.230 nan 0.000 0.432 319 L N -0.674 120.600 121.223 0.085 0.000 2.017 319 L HA -0.227 4.114 4.340 0.000 0.000 0.208 319 L C 2.645 179.637 176.870 0.203 0.000 1.073 319 L CA 1.316 56.245 54.840 0.149 0.000 0.745 319 L CB -0.577 41.526 42.059 0.073 0.000 0.894 319 L HN 0.313 nan 8.230 nan 0.000 0.432 320 E N 0.649 120.920 120.200 0.119 0.000 2.049 320 E HA -0.314 4.036 4.350 0.000 0.000 0.198 320 E C 2.231 178.870 176.600 0.066 0.000 1.007 320 E CA 1.595 58.045 56.400 0.084 0.000 0.809 320 E CB -0.004 29.722 29.700 0.044 0.000 0.749 320 E HN 0.257 nan 8.360 nan 0.000 0.450 321 K N -0.281 120.154 120.400 0.058 0.000 2.280 321 K HA -0.108 4.212 4.320 0.000 0.000 0.202 321 K C 1.563 178.192 176.600 0.049 0.000 1.047 321 K CA 1.012 57.324 56.287 0.041 0.000 0.942 321 K CB -0.028 32.492 32.500 0.034 0.000 0.739 321 K HN 0.122 nan 8.250 nan 0.000 0.457 322 A N -0.250 122.629 122.820 0.098 0.000 2.275 322 A HA 0.224 4.544 4.320 0.000 0.000 0.212 322 A C 1.187 178.781 177.584 0.017 0.000 1.201 322 A CA 0.777 52.881 52.037 0.112 0.000 0.843 322 A CB 0.012 19.162 19.000 0.250 0.000 0.873 322 A HN 0.476 nan 8.150 nan 0.000 0.492 323 G N -2.609 106.187 108.800 -0.005 0.000 2.159 323 G HA2 -0.237 3.723 3.960 0.000 0.000 0.227 323 G HA3 -0.237 3.723 3.960 0.000 0.000 0.227 323 G C -0.262 174.515 174.900 -0.205 0.000 0.986 323 G CA -0.127 44.890 45.100 -0.138 0.000 0.651 323 G HN 0.409 nan 8.290 nan 0.000 0.523 324 W N 2.240 123.533 121.300 -0.011 0.000 2.433 324 W HA 0.569 5.229 4.660 0.000 0.000 0.331 324 W C 0.955 177.468 176.519 -0.010 0.000 1.110 324 W CA 0.255 57.594 57.345 -0.010 0.000 1.450 324 W CB 0.759 30.214 29.460 -0.009 0.000 1.348 324 W HN 0.378 nan 8.180 nan 0.000 0.415 325 T N 0.500 115.138 114.554 0.140 0.000 2.932 325 T HA 0.658 5.008 4.350 0.000 0.000 0.289 325 T C -0.563 174.185 174.700 0.081 0.000 1.039 325 T CA -1.028 61.122 62.100 0.084 0.000 1.024 325 T CB 1.219 70.103 68.868 0.027 0.000 1.090 325 T HN 0.202 nan 8.240 nan 0.000 0.496 326 L N 3.557 124.815 121.223 0.057 0.000 2.315 326 L HA 0.370 4.710 4.340 0.000 0.000 0.283 326 L C -1.505 175.384 176.870 0.032 0.000 1.089 326 L CA -1.831 53.037 54.840 0.047 0.000 0.833 326 L CB 0.631 42.711 42.059 0.035 0.000 1.170 326 L HN 0.622 nan 8.230 nan 0.000 0.442 327 P HA 0.142 nan 4.420 nan 0.000 0.277 327 P C -0.715 176.594 177.300 0.016 0.000 1.276 327 P CA -0.660 62.453 63.100 0.020 0.000 0.788 327 P CB 0.612 32.325 31.700 0.022 0.000 1.114 328 A N -0.251 122.576 122.820 0.011 0.000 2.451 328 A HA 0.461 4.781 4.320 0.000 0.000 0.266 328 A C 1.155 178.744 177.584 0.009 0.000 1.119 328 A CA 0.343 52.385 52.037 0.008 0.000 0.786 328 A CB -1.568 17.435 19.000 0.005 0.000 1.061 328 A HN 0.907 nan 8.150 nan 0.000 0.503 329 G N 2.348 111.154 108.800 0.009 0.000 2.351 329 G HA2 -0.203 3.757 3.960 0.000 0.000 0.297 329 G HA3 -0.203 3.757 3.960 0.000 0.000 0.297 329 G C -0.160 174.747 174.900 0.012 0.000 1.054 329 G CA 0.809 45.915 45.100 0.009 0.000 1.123 329 G HN 0.887 nan 8.290 nan 0.000 0.512 330 K N -0.764 119.645 120.400 0.015 0.000 2.523 330 K HA 0.273 4.593 4.320 0.000 0.000 0.257 330 K C -0.183 176.430 176.600 0.020 0.000 0.932 330 K CA -0.934 55.364 56.287 0.019 0.000 0.812 330 K CB 1.481 33.995 32.500 0.024 0.000 1.326 330 K HN -0.014 nan 8.250 nan 0.000 0.433 331 D N 0.853 121.264 120.400 0.019 0.000 2.289 331 D HA 0.012 4.652 4.640 0.000 0.000 0.207 331 D C 0.499 176.812 176.300 0.022 0.000 0.966 331 D CA 0.834 54.844 54.000 0.017 0.000 0.868 331 D CB 0.480 41.288 40.800 0.013 0.000 0.943 331 D HN 0.255 nan 8.370 nan 0.000 0.514 332 I N 2.028 122.615 120.570 0.029 0.000 2.321 332 I HA 0.183 4.353 4.170 0.000 0.000 0.291 332 I C 0.842 177.000 176.117 0.068 0.000 0.998 332 I CA -0.805 60.517 61.300 0.037 0.000 1.227 332 I CB 0.940 38.960 38.000 0.033 0.000 1.368 332 I HN -0.332 nan 8.210 nan 0.000 0.466 333 R N 4.673 125.227 120.500 0.089 0.000 2.734 333 R HA 0.273 4.613 4.340 0.000 0.000 0.266 333 R C -0.272 176.188 176.300 0.266 0.000 1.044 333 R CA -0.083 56.119 56.100 0.170 0.000 1.128 333 R CB 0.738 31.168 30.300 0.217 0.000 1.010 333 R HN 0.561 nan 8.270 nan 0.000 0.461 334 E N 0.885 121.234 120.200 0.247 0.000 2.340 334 E HA 0.313 4.663 4.350 0.000 0.000 0.273 334 E C -1.159 175.424 176.600 -0.029 0.000 0.891 334 E CA -0.919 55.597 56.400 0.193 0.000 0.757 334 E CB 2.825 32.572 29.700 0.079 0.000 1.231 334 E HN 0.252 nan 8.360 nan 0.000 0.439 335 K N 1.907 122.112 120.400 -0.325 0.000 2.443 335 K HA 0.221 4.541 4.320 0.000 0.000 0.252 335 K C -0.662 175.703 176.600 -0.392 0.000 0.933 335 K CA -0.505 55.398 56.287 -0.640 0.000 0.792 335 K CB 0.811 32.358 32.500 -1.588 0.000 1.185 335 K HN 0.516 nan 8.250 nan 0.000 0.425 336 N N 2.456 120.993 118.700 -0.272 0.000 2.696 336 N HA -0.243 4.497 4.740 0.000 0.000 0.249 336 N C 0.545 175.985 175.510 -0.117 0.000 1.090 336 N CA 1.635 54.582 53.050 -0.173 0.000 0.716 336 N CB -1.131 37.252 38.487 -0.173 0.000 1.020 336 N HN 1.097 nan 8.380 nan 0.000 0.548 337 G N -1.286 107.456 108.800 -0.096 0.000 2.199 337 G HA2 -0.359 3.601 3.960 0.000 0.000 0.254 337 G HA3 -0.359 3.601 3.960 0.000 0.000 0.254 337 G C -0.130 174.761 174.900 -0.016 0.000 0.982 337 G CA 0.679 45.752 45.100 -0.046 0.000 0.632 337 G HN 0.677 nan 8.290 nan 0.000 0.529 338 Q N 1.548 121.335 119.800 -0.022 0.000 2.278 338 Q HA 0.629 4.970 4.340 0.000 0.000 0.257 338 Q C -2.533 173.578 176.000 0.185 0.000 0.928 338 Q CA -2.384 53.456 55.803 0.062 0.000 0.932 338 Q CB 1.534 30.313 28.738 0.068 0.000 1.221 338 Q HN 0.239 nan 8.270 nan 0.000 0.434 339 P HA -0.020 nan 4.420 nan 0.000 0.271 339 P C -0.934 176.538 177.300 0.287 0.000 1.216 339 P CA -0.509 62.719 63.100 0.214 0.000 0.776 339 P CB 0.450 32.216 31.700 0.109 0.000 0.881 340 L N 4.800 126.158 121.223 0.225 0.000 2.617 340 L HA 0.065 4.405 4.340 0.000 0.000 0.282 340 L C 0.195 176.989 176.870 -0.128 0.000 1.174 340 L CA 0.763 55.495 54.840 -0.180 0.000 1.016 340 L CB -1.308 40.521 42.059 -0.383 0.000 1.337 340 L HN 0.245 nan 8.230 nan 0.000 0.460 341 R N 6.233 126.685 120.500 -0.080 0.000 2.562 341 R HA 0.697 5.037 4.340 0.000 0.000 0.298 341 R C -1.013 175.246 176.300 -0.069 0.000 0.961 341 R CA -0.808 55.261 56.100 -0.051 0.000 0.881 341 R CB 1.927 32.227 30.300 -0.001 0.000 1.159 341 R HN 0.471 nan 8.270 nan 0.000 0.450 342 I N 1.072 121.608 120.570 -0.057 0.000 2.686 342 I HA 0.289 4.460 4.170 0.000 0.000 0.295 342 I C -0.372 175.740 176.117 -0.008 0.000 1.114 342 I CA -0.881 60.389 61.300 -0.049 0.000 1.038 342 I CB 2.871 40.824 38.000 -0.078 0.000 1.238 342 I HN 0.411 nan 8.210 nan 0.000 0.420 343 E N 4.296 124.503 120.200 0.012 0.000 2.197 343 E HA 0.456 4.807 4.350 0.000 0.000 0.281 343 E C -1.288 175.356 176.600 0.073 0.000 0.995 343 E CA -0.812 55.613 56.400 0.042 0.000 0.808 343 E CB 2.421 32.145 29.700 0.040 0.000 1.093 343 E HN 0.220 nan 8.360 nan 0.000 0.394 344 L N 3.167 124.455 121.223 0.108 0.000 2.298 344 L HA 0.344 4.684 4.340 0.000 0.000 0.284 344 L C -0.700 176.313 176.870 0.238 0.000 1.013 344 L CA -0.341 54.600 54.840 0.168 0.000 0.824 344 L CB 1.120 43.291 42.059 0.187 0.000 1.221 344 L HN 0.487 nan 8.230 nan 0.000 0.418 345 S N 4.322 120.129 115.700 0.178 0.000 2.549 345 S HA 0.931 5.401 4.470 0.000 0.000 0.297 345 S C -0.549 174.191 174.600 0.234 0.000 1.115 345 S CA -0.534 57.699 58.200 0.056 0.000 1.059 345 S CB 1.408 64.589 63.200 -0.032 0.000 1.046 345 S HN 0.619 nan 8.310 nan 0.000 0.506 346 F N -1.506 118.499 119.950 0.092 0.000 2.741 346 F HA 0.630 5.157 4.527 0.000 0.000 0.313 346 F C -1.455 174.337 175.800 -0.012 0.000 1.153 346 F CA -1.662 56.385 58.000 0.078 0.000 0.931 346 F CB 0.589 39.616 39.000 0.045 0.000 1.335 346 F HN 0.462 nan 8.300 nan 0.000 0.460 347 I N 2.297 122.957 120.570 0.149 0.000 2.379 347 I HA 0.264 4.434 4.170 0.000 0.000 0.290 347 I C 1.515 177.699 176.117 0.110 0.000 1.063 347 I CA 0.168 61.500 61.300 0.054 0.000 1.351 347 I CB 1.192 39.227 38.000 0.060 0.000 1.410 347 I HN 1.012 nan 8.210 nan 0.000 0.505 348 G N 3.710 112.517 108.800 0.012 0.000 2.475 348 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 348 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 348 G C 1.397 176.335 174.900 0.064 0.000 1.125 348 G CA 1.462 46.594 45.100 0.053 0.000 0.755 348 G HN 0.673 nan 8.290 nan 0.000 0.565 349 T N -2.616 111.948 114.554 0.015 0.000 3.107 349 T HA 0.134 4.484 4.350 0.000 0.000 0.249 349 T C 0.488 175.149 174.700 -0.066 0.000 1.096 349 T CA 0.248 62.331 62.100 -0.028 0.000 1.012 349 T CB 0.342 69.178 68.868 -0.054 0.000 0.977 349 T HN 0.110 nan 8.240 nan 0.000 0.527 350 D N 1.162 121.532 120.400 -0.050 0.000 2.380 350 D HA 0.537 5.177 4.640 0.000 0.000 0.230 350 D C 1.173 177.384 176.300 -0.149 0.000 1.154 350 D CA -0.273 53.658 54.000 -0.116 0.000 0.859 350 D CB 1.420 42.146 40.800 -0.123 0.000 1.045 350 D HN 0.164 nan 8.370 nan 0.000 0.495 351 A N 4.173 126.901 122.820 -0.154 0.000 1.930 351 A HA -0.150 4.170 4.320 0.000 0.000 0.217 351 A C 1.926 179.392 177.584 -0.197 0.000 1.175 351 A CA 0.729 52.674 52.037 -0.154 0.000 0.627 351 A CB -0.378 18.545 19.000 -0.129 0.000 0.815 351 A HN 0.592 nan 8.150 nan 0.000 0.443 352 L N 0.033 121.126 121.223 -0.217 0.000 2.083 352 L HA -0.110 4.231 4.340 0.000 0.000 0.209 352 L C 2.499 179.141 176.870 -0.380 0.000 1.083 352 L CA 2.468 57.164 54.840 -0.241 0.000 0.752 352 L CB -0.537 41.394 42.059 -0.213 0.000 0.899 352 L HN 0.310 nan 8.230 nan 0.000 0.433 353 S N -0.476 114.901 115.700 -0.538 0.000 2.335 353 S HA -0.216 4.254 4.470 0.000 0.000 0.216 353 S C 1.906 175.953 174.600 -0.923 0.000 1.032 353 S CA 1.440 59.034 58.200 -1.010 0.000 1.000 353 S CB -0.391 62.254 63.200 -0.926 0.000 0.928 353 S HN 0.399 nan 8.310 nan 0.000 0.434 354 K N 1.153 121.119 120.400 -0.724 0.000 2.032 354 K HA -0.215 4.106 4.320 0.000 0.000 0.218 354 K C 2.519 178.850 176.600 -0.448 0.000 1.054 354 K CA 1.866 57.754 56.287 -0.665 0.000 0.941 354 K CB -0.488 31.859 32.500 -0.255 0.000 0.720 354 K HN 0.319 nan 8.250 nan 0.000 0.449 355 S N 0.201 115.720 115.700 -0.302 0.000 2.353 355 S HA -0.208 4.262 4.470 0.000 0.000 0.222 355 S C 2.060 176.547 174.600 -0.188 0.000 1.035 355 S CA 1.876 59.958 58.200 -0.196 0.000 1.025 355 S CB -0.207 62.910 63.200 -0.138 0.000 0.902 355 S HN 0.346 nan 8.310 nan 0.000 0.440 356 M N 0.931 120.405 119.600 -0.211 0.000 2.159 356 M HA -0.014 4.467 4.480 0.000 0.000 0.263 356 M C 2.519 178.800 176.300 -0.032 0.000 1.063 356 M CA 1.334 56.583 55.300 -0.085 0.000 1.110 356 M CB -0.591 32.019 32.600 0.018 0.000 1.374 356 M HN 0.550 nan 8.290 nan 0.000 0.411 357 A N 0.342 123.080 122.820 -0.138 0.000 1.873 357 A HA -0.222 4.098 4.320 0.000 0.000 0.218 357 A C 2.036 179.572 177.584 -0.080 0.000 1.193 357 A CA 1.888 53.860 52.037 -0.108 0.000 0.629 357 A CB -0.766 17.909 19.000 -0.542 0.000 0.826 357 A HN 0.458 nan 8.150 nan 0.000 0.447 358 E N -0.527 119.597 120.200 -0.127 0.000 2.110 358 E HA -0.147 4.203 4.350 0.000 0.000 0.193 358 E C 2.080 178.652 176.600 -0.047 0.000 0.988 358 E CA 0.978 57.337 56.400 -0.067 0.000 0.804 358 E CB -0.285 29.372 29.700 -0.070 0.000 0.745 358 E HN 0.566 nan 8.360 nan 0.000 0.458 359 I N 1.164 121.699 120.570 -0.058 0.000 2.179 359 I HA -0.257 3.914 4.170 0.000 0.000 0.242 359 I C 2.526 178.622 176.117 -0.034 0.000 1.088 359 I CA 1.131 62.401 61.300 -0.051 0.000 1.357 359 I CB -0.945 37.016 38.000 -0.065 0.000 1.051 359 I HN 0.091 nan 8.210 nan 0.000 0.409 360 I N 0.314 120.869 120.570 -0.024 0.000 2.226 360 I HA -0.334 3.836 4.170 0.000 0.000 0.245 360 I C 2.695 178.806 176.117 -0.009 0.000 1.100 360 I CA 1.180 62.470 61.300 -0.016 0.000 1.374 360 I CB -0.435 37.557 38.000 -0.014 0.000 1.057 360 I HN 0.348 nan 8.210 nan 0.000 0.413 361 Q N 1.218 121.016 119.800 -0.003 0.000 2.112 361 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 361 Q C 2.242 178.242 176.000 -0.000 0.000 0.987 361 Q CA 2.269 58.075 55.803 0.005 0.000 0.858 361 Q CB -0.092 28.655 28.738 0.016 0.000 0.905 361 Q HN 0.571 nan 8.270 nan 0.000 0.420 362 A N 0.857 123.674 122.820 -0.005 0.000 1.872 362 A HA -0.178 4.143 4.320 0.000 0.000 0.214 362 A C 1.744 179.331 177.584 0.005 0.000 1.187 362 A CA 1.441 53.476 52.037 -0.003 0.000 0.614 362 A CB -0.545 18.448 19.000 -0.011 0.000 0.826 362 A HN 0.510 nan 8.150 nan 0.000 0.442 363 D N -0.074 120.329 120.400 0.006 0.000 2.116 363 D HA -0.195 4.446 4.640 0.000 0.000 0.193 363 D C 1.931 178.252 176.300 0.035 0.000 0.998 363 D CA 1.811 55.832 54.000 0.034 0.000 0.836 363 D CB -0.254 40.567 40.800 0.035 0.000 0.951 363 D HN 0.489 nan 8.370 nan 0.000 0.449 364 M N 0.022 119.628 119.600 0.011 0.000 2.394 364 M HA -0.049 4.431 4.480 0.000 0.000 0.264 364 M C 2.254 178.549 176.300 -0.010 0.000 1.073 364 M CA 0.553 55.850 55.300 -0.005 0.000 1.111 364 M CB -0.003 32.581 32.600 -0.026 0.000 1.401 364 M HN -0.135 nan 8.290 nan 0.000 0.448 365 R N 0.442 120.941 120.500 -0.002 0.000 2.148 365 R HA -0.107 4.234 4.340 0.000 0.000 0.223 365 R C 1.936 178.239 176.300 0.004 0.000 1.088 365 R CA 1.037 57.136 56.100 -0.001 0.000 0.985 365 R CB 0.106 30.407 30.300 0.002 0.000 0.880 365 R HN 0.252 nan 8.270 nan 0.000 0.451 366 Q N 0.441 120.249 119.800 0.014 0.000 2.439 366 Q HA -0.116 4.224 4.340 0.000 0.000 0.211 366 Q C 1.598 177.604 176.000 0.009 0.000 0.978 366 Q CA 1.171 56.985 55.803 0.019 0.000 0.897 366 Q CB 0.041 28.803 28.738 0.042 0.000 0.956 366 Q HN 0.676 nan 8.270 nan 0.000 0.483 367 I N -6.208 114.363 120.570 0.001 0.000 4.147 367 I HA 0.482 4.652 4.170 0.000 0.000 0.329 367 I C 0.825 176.934 176.117 -0.014 0.000 1.424 367 I CA 0.351 61.645 61.300 -0.009 0.000 1.127 367 I CB 0.791 38.783 38.000 -0.013 0.000 1.128 367 I HN 0.026 nan 8.210 nan 0.000 0.417 368 G N 1.607 110.401 108.800 -0.011 0.000 2.141 368 G HA2 -0.108 3.852 3.960 0.000 0.000 0.231 368 G HA3 -0.108 3.852 3.960 0.000 0.000 0.231 368 G C 0.193 175.071 174.900 -0.036 0.000 0.984 368 G CA -0.108 44.988 45.100 -0.006 0.000 0.660 368 G HN 0.947 nan 8.290 nan 0.000 0.525 369 A N 0.233 123.017 122.820 -0.060 0.000 2.288 369 A HA 0.642 4.962 4.320 0.000 0.000 0.320 369 A C -0.327 177.222 177.584 -0.059 0.000 1.217 369 A CA 0.098 52.075 52.037 -0.099 0.000 0.840 369 A CB 1.037 19.958 19.000 -0.132 0.000 1.179 369 A HN 0.426 nan 8.150 nan 0.000 0.504 370 D N 2.802 123.170 120.400 -0.053 0.000 2.428 370 D HA 0.322 4.962 4.640 0.000 0.000 0.221 370 D C -0.297 175.989 176.300 -0.023 0.000 1.123 370 D CA 0.012 53.998 54.000 -0.024 0.000 0.869 370 D CB 1.096 41.892 40.800 -0.007 0.000 1.032 370 D HN 0.392 nan 8.370 nan 0.000 0.506 371 V N 2.584 122.491 119.914 -0.011 0.000 2.539 371 V HA 0.663 4.783 4.120 0.000 0.000 0.292 371 V C -0.391 175.722 176.094 0.032 0.000 1.045 371 V CA -0.336 61.967 62.300 0.005 0.000 0.945 371 V CB 1.673 33.498 31.823 0.003 0.000 0.993 371 V HN 0.473 nan 8.190 nan 0.000 0.464 372 S N 5.972 121.699 115.700 0.045 0.000 2.472 372 S HA 0.727 5.198 4.470 0.000 0.000 0.303 372 S C -0.810 173.850 174.600 0.100 0.000 1.099 372 S CA -0.471 57.764 58.200 0.057 0.000 1.077 372 S CB 1.319 64.541 63.200 0.038 0.000 1.031 372 S HN 0.678 nan 8.310 nan 0.000 0.487 373 L N 4.001 125.304 121.223 0.133 0.000 2.289 373 L HA 0.540 4.880 4.340 0.000 0.000 0.285 373 L C -0.510 176.422 176.870 0.104 0.000 1.049 373 L CA -0.103 54.889 54.840 0.253 0.000 0.804 373 L CB 0.959 43.240 42.059 0.369 0.000 1.195 373 L HN 0.531 nan 8.230 nan 0.000 0.428 374 I N 3.095 123.634 120.570 -0.053 0.000 2.448 374 I HA 0.363 4.533 4.170 0.000 0.000 0.281 374 I C 0.513 176.122 176.117 -0.846 0.000 1.027 374 I CA -0.392 60.735 61.300 -0.288 0.000 1.111 374 I CB 1.241 39.144 38.000 -0.161 0.000 1.236 374 I HN 0.597 nan 8.210 nan 0.000 0.452 375 G N 5.022 113.319 108.800 -0.838 0.000 2.338 375 G HA2 0.630 4.590 3.960 0.000 0.000 0.298 375 G HA3 0.630 4.590 3.960 0.000 0.000 0.298 375 G C -0.437 174.233 174.900 -0.385 0.000 1.140 375 G CA -0.117 44.435 45.100 -0.914 0.000 0.860 375 G HN 0.626 nan 8.290 nan 0.000 0.470 376 E N 0.507 120.529 120.200 -0.297 0.000 2.446 376 E HA 0.207 4.557 4.350 0.000 0.000 0.276 376 E C -0.554 176.005 176.600 -0.069 0.000 0.969 376 E CA -0.797 55.518 56.400 -0.141 0.000 0.800 376 E CB 2.170 31.797 29.700 -0.121 0.000 1.341 376 E HN 0.578 nan 8.360 nan 0.000 0.460 377 E N 1.184 121.368 120.200 -0.028 0.000 2.437 377 E HA -0.112 4.238 4.350 0.000 0.000 0.263 377 E C 0.678 177.306 176.600 0.047 0.000 1.030 377 E CA 0.312 56.719 56.400 0.011 0.000 0.934 377 E CB 0.662 30.370 29.700 0.014 0.000 0.943 377 E HN 0.574 nan 8.360 nan 0.000 0.444 378 E N 1.925 122.179 120.200 0.091 0.000 2.086 378 E HA -0.331 4.019 4.350 0.000 0.000 0.205 378 E C 1.970 178.705 176.600 0.224 0.000 1.027 378 E CA 2.255 58.773 56.400 0.197 0.000 0.830 378 E CB -0.034 29.763 29.700 0.162 0.000 0.751 378 E HN 0.577 nan 8.360 nan 0.000 0.456 379 S N 0.011 115.775 115.700 0.107 0.000 2.365 379 S HA -0.260 4.210 4.470 0.000 0.000 0.225 379 S C 2.224 176.877 174.600 0.088 0.000 1.039 379 S CA 2.049 60.295 58.200 0.076 0.000 1.033 379 S CB -0.763 62.454 63.200 0.028 0.000 0.887 379 S HN 0.353 nan 8.310 nan 0.000 0.447 380 S N 0.984 116.718 115.700 0.057 0.000 2.402 380 S HA 0.012 4.482 4.470 0.000 0.000 0.229 380 S C 1.908 176.522 174.600 0.024 0.000 1.021 380 S CA 0.920 59.138 58.200 0.029 0.000 0.974 380 S CB -0.579 62.624 63.200 0.004 0.000 0.800 380 S HN 0.495 nan 8.310 nan 0.000 0.484 381 I N 0.609 121.196 120.570 0.029 0.000 2.286 381 I HA -0.045 4.126 4.170 0.000 0.000 0.245 381 I C 2.068 178.122 176.117 -0.104 0.000 1.104 381 I CA 1.249 62.522 61.300 -0.044 0.000 1.397 381 I CB -1.540 36.415 38.000 -0.076 0.000 1.072 381 I HN 0.345 nan 8.210 nan 0.000 0.417 382 Y N 1.232 121.501 120.300 -0.052 0.000 2.293 382 Y HA -0.131 4.420 4.550 0.000 0.000 0.291 382 Y C 2.652 178.499 175.900 -0.089 0.000 1.137 382 Y CA 1.282 59.321 58.100 -0.103 0.000 1.202 382 Y CB -0.729 37.656 38.460 -0.125 0.000 0.990 382 Y HN 0.127 nan 8.280 nan 0.000 0.537 383 A N 0.551 123.419 122.820 0.079 0.000 1.877 383 A HA -0.229 4.091 4.320 0.000 0.000 0.216 383 A C 2.260 179.870 177.584 0.043 0.000 1.186 383 A CA 1.837 53.899 52.037 0.042 0.000 0.620 383 A CB -0.603 18.417 19.000 0.034 0.000 0.822 383 A HN 0.412 nan 8.150 nan 0.000 0.443 384 R N -0.444 120.081 120.500 0.042 0.000 2.105 384 R HA -0.184 4.157 4.340 0.000 0.000 0.239 384 R C 2.397 178.802 176.300 0.175 0.000 1.135 384 R CA 1.752 57.918 56.100 0.110 0.000 0.967 384 R CB -0.392 29.969 30.300 0.101 0.000 0.861 384 R HN 0.703 nan 8.270 nan 0.000 0.442 385 Q N -0.150 119.640 119.800 -0.016 0.000 2.226 385 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 385 Q C 2.047 178.112 176.000 0.109 0.000 0.975 385 Q CA 1.180 56.946 55.803 -0.063 0.000 0.866 385 Q CB -0.021 28.558 28.738 -0.266 0.000 0.915 385 Q HN 0.291 nan 8.270 nan 0.000 0.440 386 R N 0.482 121.024 120.500 0.070 0.000 2.062 386 R HA -0.071 4.270 4.340 0.000 0.000 0.226 386 R C 1.250 177.616 176.300 0.110 0.000 1.125 386 R CA 1.389 57.532 56.100 0.072 0.000 0.966 386 R CB 0.262 30.573 30.300 0.018 0.000 0.861 386 R HN 0.286 nan 8.270 nan 0.000 0.433 387 D N -1.003 119.456 120.400 0.099 0.000 2.340 387 D HA 0.070 4.710 4.640 0.000 0.000 0.220 387 D C 0.833 177.162 176.300 0.048 0.000 1.039 387 D CA 0.839 54.882 54.000 0.071 0.000 0.866 387 D CB 0.466 41.291 40.800 0.043 0.000 0.913 387 D HN 0.400 nan 8.370 nan 0.000 0.523 388 G N 2.065 110.928 108.800 0.105 0.000 2.198 388 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 388 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 388 G C 0.292 175.029 174.900 -0.272 0.000 1.025 388 G CA -0.311 44.693 45.100 -0.160 0.000 0.769 388 G HN 0.326 nan 8.290 nan 0.000 0.507 389 R N -0.053 120.461 120.500 0.023 0.000 4.164 389 R HA 0.494 4.834 4.340 0.000 0.000 0.195 389 R C 0.031 176.425 176.300 0.156 0.000 1.712 389 R CA 0.286 56.396 56.100 0.016 0.000 1.457 389 R CB -0.470 29.858 30.300 0.045 0.000 1.387 389 R HN 0.595 nan 8.270 nan 0.000 0.785 390 F N -4.345 115.579 119.950 -0.043 0.000 2.693 390 F HA 0.541 5.068 4.527 0.000 0.000 0.309 390 F C 0.539 176.309 175.800 -0.049 0.000 1.129 390 F CA -1.298 56.675 58.000 -0.044 0.000 0.948 390 F CB 0.532 39.504 39.000 -0.048 0.000 1.315 390 F HN -0.003 nan 8.300 nan 0.000 0.447 391 G N 0.737 109.619 108.800 0.137 0.000 2.557 391 G HA2 0.309 4.269 3.960 0.000 0.000 0.213 391 G HA3 0.309 4.269 3.960 0.000 0.000 0.213 391 G C -0.120 174.880 174.900 0.166 0.000 1.221 391 G CA 0.008 45.143 45.100 0.057 0.000 0.832 391 G HN 0.498 nan 8.290 nan 0.000 0.556 392 M N 0.102 119.803 119.600 0.169 0.000 2.464 392 M HA 0.625 5.105 4.480 0.000 0.000 0.308 392 M C -1.599 174.737 176.300 0.060 0.000 1.127 392 M CA -0.491 54.869 55.300 0.100 0.000 0.913 392 M CB 3.180 35.771 32.600 -0.015 0.000 1.689 392 M HN 0.189 nan 8.290 nan 0.000 0.445 393 I N 0.984 121.496 120.570 -0.097 0.000 2.802 393 I HA 0.484 4.654 4.170 0.000 0.000 0.298 393 I C -1.401 174.617 176.117 -0.165 0.000 1.176 393 I CA -0.650 60.544 61.300 -0.176 0.000 1.025 393 I CB 1.918 39.597 38.000 -0.535 0.000 1.243 393 I HN 0.527 nan 8.210 nan 0.000 0.424 394 F N 5.759 125.700 119.950 -0.014 0.000 2.578 394 F HA 0.236 4.763 4.527 0.000 0.000 0.376 394 F C 0.252 176.094 175.800 0.071 0.000 1.085 394 F CA 0.983 59.002 58.000 0.031 0.000 1.260 394 F CB 0.211 39.242 39.000 0.053 0.000 1.095 394 F HN 0.471 nan 8.300 nan 0.000 0.573 395 H N 2.922 122.054 119.070 0.103 0.000 2.985 395 H HA 0.701 5.257 4.556 0.000 0.000 0.360 395 H C -1.243 174.118 175.328 0.055 0.000 1.221 395 H CA -1.298 54.788 56.048 0.064 0.000 1.121 395 H CB 1.431 31.213 29.762 0.033 0.000 1.854 395 H HN 0.615 nan 8.280 nan 0.000 0.551 396 R N 0.439 120.717 120.500 -0.370 0.000 2.651 396 R HA 0.407 4.747 4.340 0.000 0.000 0.278 396 R C -0.429 175.525 176.300 -0.577 0.000 1.010 396 R CA -0.628 55.276 56.100 -0.326 0.000 0.896 396 R CB 1.983 32.246 30.300 -0.062 0.000 1.211 396 R HN 0.853 nan 8.270 nan 0.000 0.456 397 T N -1.807 112.363 114.554 -0.641 0.000 2.729 397 T HA 0.175 4.525 4.350 0.000 0.000 0.298 397 T C 0.248 174.742 174.700 -0.344 0.000 1.013 397 T CA -0.177 61.330 62.100 -0.988 0.000 0.957 397 T CB 0.578 68.880 68.868 -0.944 0.000 1.130 397 T HN 0.593 nan 8.240 nan 0.000 0.526 398 W N 0.310 121.437 121.300 -0.287 0.000 3.005 398 W HA 0.497 5.157 4.660 0.000 0.000 0.374 398 W C 1.281 177.770 176.519 -0.049 0.000 1.076 398 W CA -0.292 56.923 57.345 -0.216 0.000 1.794 398 W CB -1.512 27.687 29.460 -0.436 0.000 1.113 398 W HN 1.392 nan 8.180 nan 0.000 0.584 399 G N 1.542 110.442 108.800 0.167 0.000 2.806 399 G HA2 0.008 3.969 3.960 0.000 0.000 0.236 399 G HA3 0.008 3.969 3.960 0.000 0.000 0.236 399 G C 0.114 175.164 174.900 0.249 0.000 1.387 399 G CA -0.418 44.780 45.100 0.163 0.000 0.884 399 G HN 0.457 nan 8.290 nan 0.000 0.560 400 A N 0.467 123.397 122.820 0.183 0.000 2.371 400 A HA 0.705 5.025 4.320 0.000 0.000 0.257 400 A C -0.401 177.202 177.584 0.032 0.000 1.089 400 A CA -0.147 51.972 52.037 0.136 0.000 0.794 400 A CB 0.690 19.809 19.000 0.198 0.000 1.029 400 A HN 0.748 nan 8.150 nan 0.000 0.488 401 P HA 0.054 nan 4.420 nan 0.000 0.257 401 P C 0.206 177.487 177.300 -0.032 0.000 1.281 401 P CA 0.602 63.515 63.100 -0.312 0.000 0.826 401 P CB -0.083 31.134 31.700 -0.804 0.000 1.237 402 Y N 0.174 120.518 120.300 0.074 0.000 2.352 402 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 402 Y C 0.841 176.795 175.900 0.090 0.000 1.136 402 Y CA 0.618 58.810 58.100 0.153 0.000 1.227 402 Y CB -0.850 37.879 38.460 0.448 0.000 0.991 402 Y HN -0.051 nan 8.280 nan 0.000 0.545 403 D N 0.976 121.503 120.400 0.211 0.000 2.280 403 D HA 0.132 4.773 4.640 0.000 0.000 0.243 403 D C -1.670 174.515 176.300 -0.191 0.000 1.129 403 D CA -1.824 52.142 54.000 -0.056 0.000 0.848 403 D CB 1.356 42.092 40.800 -0.107 0.000 1.107 403 D HN 0.110 nan 8.370 nan 0.000 0.471 404 P HA -0.031 nan 4.420 nan 0.000 0.244 404 P C 1.264 178.647 177.300 0.140 0.000 1.191 404 P CA 0.475 63.321 63.100 -0.423 0.000 0.829 404 P CB 0.185 31.417 31.700 -0.781 0.000 1.008 405 H N 0.986 120.190 119.070 0.223 0.000 2.321 405 H HA 0.051 4.608 4.556 0.000 0.000 0.300 405 H C 1.462 177.008 175.328 0.364 0.000 1.087 405 H CA 1.874 58.139 56.048 0.362 0.000 1.319 405 H CB -0.934 29.024 29.762 0.327 0.000 1.379 405 H HN 0.031 nan 8.280 nan 0.000 0.501 406 A N 0.289 122.779 122.820 -0.552 0.000 2.119 406 A HA 0.031 4.351 4.320 0.000 0.000 0.216 406 A C 2.283 180.074 177.584 0.345 0.000 1.152 406 A CA 0.421 52.439 52.037 -0.031 0.000 0.708 406 A CB -0.988 18.073 19.000 0.103 0.000 0.805 406 A HN 0.458 nan 8.150 nan 0.000 0.460 407 F N 0.531 120.540 119.950 0.098 0.000 2.128 407 F HA -0.039 4.488 4.527 0.001 0.000 0.295 407 F C 1.903 177.712 175.800 0.015 0.000 1.100 407 F CA 1.406 59.306 58.000 -0.166 0.000 1.260 407 F CB -0.065 38.809 39.000 -0.210 0.000 1.009 407 F HN 0.104 nan 8.300 nan 0.000 0.476 408 L N -0.499 120.881 121.223 0.262 0.000 2.017 408 L HA -0.244 4.096 4.340 0.000 0.000 0.208 408 L C 2.743 179.712 176.870 0.166 0.000 1.073 408 L CA 1.691 56.670 54.840 0.231 0.000 0.745 408 L CB -1.337 40.950 42.059 0.381 0.000 0.894 408 L HN 0.283 nan 8.230 nan 0.000 0.432 409 S N 0.272 116.103 115.700 0.219 0.000 2.400 409 S HA -0.248 4.222 4.470 0.000 0.000 0.234 409 S C 2.137 176.866 174.600 0.215 0.000 1.049 409 S CA 2.117 60.451 58.200 0.224 0.000 1.039 409 S CB -0.258 63.108 63.200 0.276 0.000 0.856 409 S HN 0.632 nan 8.310 nan 0.000 0.465 410 S N 0.186 116.008 115.700 0.202 0.000 2.527 410 S HA 0.164 4.634 4.470 0.000 0.000 0.222 410 S C 1.699 176.368 174.600 0.115 0.000 0.985 410 S CA 0.508 58.859 58.200 0.251 0.000 0.921 410 S CB -0.504 62.886 63.200 0.318 0.000 0.772 410 S HN 0.606 nan 8.310 nan 0.000 0.529 411 M N 0.756 120.382 119.600 0.043 0.000 2.630 411 M HA 0.139 4.619 4.480 0.000 0.000 0.254 411 M C 2.058 178.509 176.300 0.253 0.000 1.092 411 M CA 0.693 56.054 55.300 0.103 0.000 1.087 411 M CB -0.181 32.464 32.600 0.075 0.000 1.453 411 M HN 0.288 nan 8.290 nan 0.000 0.509 412 R N -0.092 120.519 120.500 0.185 0.000 2.246 412 R HA 0.096 4.436 4.340 0.000 0.000 0.199 412 R C 0.442 176.710 176.300 -0.053 0.000 0.984 412 R CA 0.345 56.552 56.100 0.179 0.000 1.015 412 R CB 0.343 30.713 30.300 0.115 0.000 0.930 412 R HN 0.292 nan 8.270 nan 0.000 0.475 413 V N -2.262 117.532 119.914 -0.199 0.000 3.040 413 V HA 0.560 4.680 4.120 0.000 0.000 0.312 413 V C -2.880 172.925 176.094 -0.481 0.000 1.115 413 V CA -3.449 58.518 62.300 -0.555 0.000 0.998 413 V CB 2.258 33.949 31.823 -0.220 0.000 1.042 413 V HN -0.197 nan 8.190 nan 0.000 0.433 414 P HA 0.345 nan 4.420 nan 0.000 0.267 414 P C 0.114 177.386 177.300 -0.047 0.000 1.205 414 P CA 0.666 63.694 63.100 -0.119 0.000 0.765 414 P CB 1.366 33.020 31.700 -0.075 0.000 0.828 415 S N 1.998 117.711 115.700 0.022 0.000 5.839 415 S HA 0.093 4.563 4.470 0.000 0.000 0.120 415 S C 0.229 174.802 174.600 -0.045 0.000 1.161 415 S CA -0.068 58.135 58.200 0.006 0.000 1.301 415 S CB -0.196 63.081 63.200 0.128 0.000 2.063 415 S HN 0.427 nan 8.310 nan 0.000 0.666 416 H N -0.229 118.877 119.070 0.060 0.000 3.348 416 H HA 0.637 5.193 4.556 0.000 0.000 0.199 416 H C 1.616 176.880 175.328 -0.107 0.000 1.596 416 H CA 0.115 56.172 56.048 0.015 0.000 1.703 416 H CB 0.603 30.490 29.762 0.209 0.000 1.296 416 H HN 0.516 nan 8.280 nan 0.000 0.970 417 A N 0.276 122.953 122.820 -0.238 0.000 2.015 417 A HA -0.133 4.187 4.320 0.000 0.000 0.219 417 A C 1.702 179.300 177.584 0.023 0.000 1.163 417 A CA 1.487 53.393 52.037 -0.219 0.000 0.646 417 A CB -0.523 18.133 19.000 -0.573 0.000 0.806 417 A HN 0.629 nan 8.150 nan 0.000 0.448 418 D N -0.793 119.614 120.400 0.012 0.000 2.133 418 D HA -0.212 4.428 4.640 0.000 0.000 0.195 418 D C 1.678 178.051 176.300 0.122 0.000 0.997 418 D CA 1.684 55.744 54.000 0.099 0.000 0.840 418 D CB -0.325 40.520 40.800 0.076 0.000 0.947 418 D HN 0.581 nan 8.370 nan 0.000 0.452 419 F N 1.942 121.907 119.950 0.025 0.000 2.075 419 F HA -0.215 4.312 4.527 0.000 0.000 0.297 419 F C 2.642 178.453 175.800 0.018 0.000 1.113 419 F CA 1.286 59.300 58.000 0.023 0.000 1.218 419 F CB 0.014 39.031 39.000 0.028 0.000 0.984 419 F HN -0.216 nan 8.300 nan 0.000 0.472 420 Q N 0.694 120.550 119.800 0.094 0.000 2.061 420 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 420 Q C 2.431 178.370 176.000 -0.102 0.000 0.984 420 Q CA 1.615 57.400 55.803 -0.030 0.000 0.846 420 Q CB -1.230 27.581 28.738 0.121 0.000 0.902 420 Q HN 0.558 nan 8.270 nan 0.000 0.421 421 A N 0.599 123.444 122.820 0.042 0.000 2.178 421 A HA -0.162 4.158 4.320 0.000 0.000 0.218 421 A C 1.699 179.197 177.584 -0.144 0.000 1.157 421 A CA 1.128 53.159 52.037 -0.010 0.000 0.689 421 A CB -0.174 18.873 19.000 0.078 0.000 0.787 421 A HN 0.384 nan 8.150 nan 0.000 0.465 422 Q N -1.389 118.304 119.800 -0.177 0.000 2.247 422 Q HA 0.068 4.408 4.340 0.000 0.000 0.211 422 Q C 1.180 177.043 176.000 -0.228 0.000 0.861 422 Q CA -0.217 55.472 55.803 -0.190 0.000 0.949 422 Q CB 0.336 28.991 28.738 -0.139 0.000 1.115 422 Q HN 0.487 nan 8.270 nan 0.000 0.507 423 Q N -0.385 119.239 119.800 -0.293 0.000 2.439 423 Q HA -0.060 4.280 4.340 0.000 0.000 0.211 423 Q C 1.553 177.439 176.000 -0.191 0.000 0.978 423 Q CA 1.166 56.791 55.803 -0.296 0.000 0.897 423 Q CB -0.063 28.483 28.738 -0.320 0.000 0.956 423 Q HN 0.416 nan 8.270 nan 0.000 0.483 424 G N -0.606 108.097 108.800 -0.161 0.000 3.042 424 G HA2 0.213 4.174 3.960 0.000 0.000 0.212 424 G HA3 0.213 4.174 3.960 0.000 0.000 0.212 424 G C 0.313 175.155 174.900 -0.097 0.000 1.166 424 G CA -0.245 44.783 45.100 -0.120 0.000 0.767 424 G HN 0.138 nan 8.290 nan 0.000 0.546 425 L N 0.913 122.075 121.223 -0.102 0.000 2.275 425 L HA 0.425 4.766 4.340 0.000 0.000 0.288 425 L C 1.805 178.640 176.870 -0.058 0.000 1.046 425 L CA -0.794 54.001 54.840 -0.076 0.000 0.805 425 L CB 1.700 43.714 42.059 -0.075 0.000 1.193 425 L HN 0.093 nan 8.230 nan 0.000 0.426 426 A N 2.710 125.505 122.820 -0.041 0.000 1.903 426 A HA -0.244 4.076 4.320 0.000 0.000 0.219 426 A C 1.504 179.076 177.584 -0.020 0.000 1.191 426 A CA 2.227 54.247 52.037 -0.028 0.000 0.638 426 A CB -0.484 18.505 19.000 -0.020 0.000 0.823 426 A HN 0.927 nan 8.150 nan 0.000 0.451 427 D N -1.243 119.148 120.400 -0.015 0.000 2.325 427 D HA 0.037 4.677 4.640 0.000 0.000 0.225 427 D C 1.216 177.516 176.300 -0.000 0.000 1.096 427 D CA 0.614 54.613 54.000 -0.002 0.000 0.844 427 D CB 0.013 40.819 40.800 0.009 0.000 0.925 427 D HN 0.319 nan 8.370 nan 0.000 0.513 428 K N 1.660 122.049 120.400 -0.019 0.000 2.074 428 K HA -0.098 4.222 4.320 0.000 0.000 0.209 428 K C -0.872 175.733 176.600 0.008 0.000 1.048 428 K CA 1.375 57.650 56.287 -0.021 0.000 0.926 428 K CB -1.322 31.133 32.500 -0.076 0.000 0.713 428 K HN 0.160 nan 8.250 nan 0.000 0.444 429 P HA -0.099 nan 4.420 nan 0.000 0.217 429 P C 1.500 178.822 177.300 0.037 0.000 1.150 429 P CA 0.926 64.046 63.100 0.032 0.000 0.832 429 P CB -0.029 31.686 31.700 0.025 0.000 0.787 430 L N -0.923 120.316 121.223 0.028 0.000 2.017 430 L HA -0.168 4.172 4.340 0.000 0.000 0.208 430 L C 2.196 179.090 176.870 0.039 0.000 1.073 430 L CA 1.667 56.525 54.840 0.030 0.000 0.745 430 L CB -0.582 41.492 42.059 0.024 0.000 0.894 430 L HN -0.136 nan 8.230 nan 0.000 0.432 431 I N -0.010 120.587 120.570 0.045 0.000 2.226 431 I HA -0.313 3.857 4.170 0.000 0.000 0.245 431 I C 1.962 178.122 176.117 0.073 0.000 1.100 431 I CA 1.308 62.645 61.300 0.062 0.000 1.374 431 I CB -0.460 37.583 38.000 0.070 0.000 1.057 431 I HN 0.315 nan 8.210 nan 0.000 0.413 432 D N 0.756 121.202 120.400 0.078 0.000 2.144 432 D HA -0.217 4.424 4.640 0.000 0.000 0.199 432 D C 2.069 178.411 176.300 0.070 0.000 0.984 432 D CA 1.129 55.184 54.000 0.092 0.000 0.834 432 D CB -0.228 40.642 40.800 0.116 0.000 0.955 432 D HN 0.346 nan 8.370 nan 0.000 0.465 433 K N 1.001 121.433 120.400 0.054 0.000 2.103 433 K HA -0.100 4.221 4.320 0.000 0.000 0.204 433 K C 1.705 178.324 176.600 0.031 0.000 1.052 433 K CA 0.899 57.210 56.287 0.041 0.000 0.945 433 K CB 0.138 32.659 32.500 0.034 0.000 0.722 433 K HN 0.046 nan 8.250 nan 0.000 0.443 434 E N 0.681 120.898 120.200 0.029 0.000 2.106 434 E HA -0.148 4.203 4.350 0.000 0.000 0.192 434 E C 2.024 178.621 176.600 -0.005 0.000 0.984 434 E CA 1.163 57.568 56.400 0.009 0.000 0.806 434 E CB -0.071 29.637 29.700 0.013 0.000 0.750 434 E HN 0.370 nan 8.360 nan 0.000 0.458 435 I N 0.764 121.353 120.570 0.032 0.000 2.286 435 I HA -0.187 3.984 4.170 0.000 0.000 0.248 435 I C 2.496 178.640 176.117 0.044 0.000 1.115 435 I CA 1.168 62.495 61.300 0.046 0.000 1.392 435 I CB -0.413 37.649 38.000 0.103 0.000 1.065 435 I HN 0.158 nan 8.210 nan 0.000 0.418 436 G N 0.005 108.834 108.800 0.047 0.000 2.443 436 G HA2 -0.188 3.772 3.960 0.000 0.000 0.219 436 G HA3 -0.188 3.772 3.960 0.000 0.000 0.219 436 G C 1.529 176.452 174.900 0.038 0.000 1.131 436 G CA 0.437 45.567 45.100 0.049 0.000 0.775 436 G HN 0.389 nan 8.290 nan 0.000 0.547 437 E N -0.452 119.755 120.200 0.011 0.000 2.033 437 E HA -0.010 4.340 4.350 0.000 0.000 0.189 437 E C 2.559 179.137 176.600 -0.035 0.000 0.979 437 E CA 0.544 56.941 56.400 -0.004 0.000 0.802 437 E CB -0.224 29.466 29.700 -0.017 0.000 0.763 437 E HN 0.162 nan 8.360 nan 0.000 0.449 438 V N 1.076 120.928 119.914 -0.104 0.000 2.469 438 V HA -0.204 3.916 4.120 0.000 0.000 0.251 438 V C 1.826 177.883 176.094 -0.062 0.000 1.064 438 V CA 1.265 63.426 62.300 -0.231 0.000 1.066 438 V CB -0.094 31.380 31.823 -0.582 0.000 0.667 438 V HN 0.226 nan 8.190 nan 0.000 0.461 439 L N -0.460 120.800 121.223 0.062 0.000 2.492 439 L HA 0.265 4.605 4.340 0.000 0.000 0.223 439 L C 2.097 179.118 176.870 0.252 0.000 1.132 439 L CA 1.743 56.709 54.840 0.210 0.000 0.850 439 L CB -0.593 41.588 42.059 0.204 0.000 0.966 439 L HN 0.358 nan 8.230 nan 0.000 0.454 440 A N -2.504 120.402 122.820 0.143 0.000 2.192 440 A HA 0.140 4.461 4.320 0.000 0.000 0.208 440 A C 1.307 178.891 177.584 0.000 0.000 1.220 440 A CA 0.449 52.560 52.037 0.125 0.000 0.900 440 A CB -0.190 18.875 19.000 0.109 0.000 0.937 440 A HN 0.291 nan 8.150 nan 0.000 0.487 441 T N -1.152 113.371 114.554 -0.053 0.000 2.899 441 T HA 0.304 4.654 4.350 0.000 0.000 0.295 441 T C 0.477 174.970 174.700 -0.346 0.000 1.033 441 T CA 0.212 62.249 62.100 -0.105 0.000 1.084 441 T CB 0.354 69.179 68.868 -0.073 0.000 0.979 441 T HN 0.431 nan 8.240 nan 0.000 0.532 442 H N 0.452 119.497 119.070 -0.041 0.000 2.893 442 H HA 0.323 4.879 4.556 0.000 0.000 0.270 442 H C -0.327 174.959 175.328 -0.070 0.000 1.095 442 H CA -0.409 55.592 56.048 -0.077 0.000 1.186 442 H CB 0.470 30.224 29.762 -0.013 0.000 1.562 442 H HN 0.488 nan 8.280 nan 0.000 0.536 443 D N 0.986 121.396 120.400 0.016 0.000 2.313 443 D HA -0.025 4.616 4.640 0.000 0.000 0.239 443 D C 1.305 177.587 176.300 -0.030 0.000 1.142 443 D CA -0.072 53.932 54.000 0.007 0.000 0.847 443 D CB 1.394 42.204 40.800 0.017 0.000 1.082 443 D HN 0.259 nan 8.370 nan 0.000 0.480 444 E N 2.454 122.651 120.200 -0.004 0.000 2.106 444 E HA -0.147 4.203 4.350 0.000 0.000 0.192 444 E C 1.220 177.852 176.600 0.054 0.000 0.984 444 E CA 1.697 58.114 56.400 0.028 0.000 0.806 444 E CB -0.129 29.613 29.700 0.070 0.000 0.750 444 E HN 0.471 nan 8.360 nan 0.000 0.458 445 T N 0.559 115.138 114.554 0.043 0.000 2.684 445 T HA -0.204 4.146 4.350 0.000 0.000 0.267 445 T C 1.749 176.464 174.700 0.024 0.000 1.036 445 T CA 1.511 63.638 62.100 0.045 0.000 1.148 445 T CB -0.304 68.586 68.868 0.036 0.000 0.863 445 T HN 0.273 nan 8.240 nan 0.000 0.436 446 Q N 0.519 120.318 119.800 -0.002 0.000 2.119 446 Q HA -0.084 4.256 4.340 0.000 0.000 0.201 446 Q C 2.510 178.467 176.000 -0.071 0.000 0.972 446 Q CA 1.101 56.890 55.803 -0.024 0.000 0.847 446 Q CB -0.046 28.677 28.738 -0.024 0.000 0.903 446 Q HN 0.397 nan 8.270 nan 0.000 0.433 447 R N 0.076 120.510 120.500 -0.110 0.000 2.096 447 R HA -0.208 4.132 4.340 0.000 0.000 0.235 447 R C 2.205 178.395 176.300 -0.183 0.000 1.127 447 R CA 1.777 57.733 56.100 -0.238 0.000 0.968 447 R CB -0.011 30.110 30.300 -0.297 0.000 0.861 447 R HN 0.130 nan 8.270 nan 0.000 0.440 448 Q N -0.069 119.726 119.800 -0.008 0.000 2.123 448 Q HA 0.018 4.359 4.340 0.000 0.000 0.199 448 Q C 1.771 177.835 176.000 0.107 0.000 0.966 448 Q CA 1.815 57.703 55.803 0.142 0.000 0.845 448 Q CB -0.151 28.724 28.738 0.228 0.000 0.907 448 Q HN 0.404 nan 8.270 nan 0.000 0.439 449 A N 0.009 122.857 122.820 0.047 0.000 1.898 449 A HA -0.101 4.219 4.320 0.000 0.000 0.216 449 A C 1.828 179.427 177.584 0.025 0.000 1.181 449 A CA 1.217 53.279 52.037 0.041 0.000 0.620 449 A CB -0.603 18.411 19.000 0.025 0.000 0.819 449 A HN 0.411 nan 8.150 nan 0.000 0.442 450 L N -1.370 119.831 121.223 -0.036 0.000 1.976 450 L HA -0.142 4.198 4.340 0.000 0.000 0.209 450 L C 2.406 179.264 176.870 -0.020 0.000 1.071 450 L CA 1.777 56.572 54.840 -0.076 0.000 0.746 450 L CB -1.691 40.251 42.059 -0.196 0.000 0.890 450 L HN 0.545 nan 8.230 nan 0.000 0.432 451 Y N -0.303 119.989 120.300 -0.013 0.000 2.151 451 Y HA -0.354 4.196 4.550 0.001 0.000 0.284 451 Y C 2.904 178.854 175.900 0.083 0.000 1.166 451 Y CA 1.666 59.786 58.100 0.034 0.000 1.163 451 Y CB -0.237 38.218 38.460 -0.008 0.000 0.974 451 Y HN 0.186 nan 8.280 nan 0.000 0.511 452 R N 0.610 121.246 120.500 0.226 0.000 2.080 452 R HA -0.236 4.105 4.340 0.000 0.000 0.236 452 R C 1.852 178.235 176.300 0.139 0.000 1.137 452 R CA 2.346 58.544 56.100 0.164 0.000 0.943 452 R CB -0.565 29.809 30.300 0.123 0.000 0.846 452 R HN 0.309 nan 8.270 nan 0.000 0.431 453 D N -0.149 120.317 120.400 0.110 0.000 2.092 453 D HA -0.167 4.473 4.640 0.000 0.000 0.193 453 D C 1.946 178.313 176.300 0.112 0.000 0.994 453 D CA 2.071 56.126 54.000 0.092 0.000 0.828 453 D CB -0.049 40.788 40.800 0.061 0.000 0.963 453 D HN 0.330 nan 8.370 nan 0.000 0.450 454 I N 0.096 120.744 120.570 0.129 0.000 2.118 454 I HA -0.290 3.880 4.170 0.000 0.000 0.241 454 I C 2.412 178.647 176.117 0.196 0.000 1.070 454 I CA 0.947 62.342 61.300 0.158 0.000 1.327 454 I CB -0.391 37.721 38.000 0.187 0.000 1.034 454 I HN 0.155 nan 8.210 nan 0.000 0.405 455 L N -0.096 121.268 121.223 0.235 0.000 2.093 455 L HA -0.152 4.188 4.340 0.000 0.000 0.208 455 L C 2.620 179.605 176.870 0.191 0.000 1.085 455 L CA 1.385 56.366 54.840 0.235 0.000 0.755 455 L CB -1.009 41.206 42.059 0.261 0.000 0.904 455 L HN 0.283 nan 8.230 nan 0.000 0.435 456 T N -0.639 114.010 114.554 0.159 0.000 2.833 456 T HA -0.160 4.190 4.350 0.000 0.000 0.269 456 T C 2.054 176.849 174.700 0.158 0.000 1.054 456 T CA 1.173 63.364 62.100 0.151 0.000 1.135 456 T CB -0.126 68.812 68.868 0.116 0.000 0.869 456 T HN 0.300 nan 8.240 nan 0.000 0.466 457 R N 0.378 120.957 120.500 0.132 0.000 2.062 457 R HA 0.169 4.509 4.340 0.000 0.000 0.229 457 R C 2.489 178.852 176.300 0.106 0.000 1.128 457 R CA 0.802 56.961 56.100 0.099 0.000 0.960 457 R CB -0.529 29.819 30.300 0.079 0.000 0.855 457 R HN 0.305 nan 8.270 nan 0.000 0.432 458 L N -0.369 120.941 121.223 0.146 0.000 2.089 458 L HA -0.285 4.055 4.340 0.000 0.000 0.213 458 L C 2.497 179.464 176.870 0.163 0.000 1.079 458 L CA 1.701 56.639 54.840 0.163 0.000 0.758 458 L CB -0.462 41.755 42.059 0.262 0.000 0.891 458 L HN 0.330 nan 8.230 nan 0.000 0.433 459 H N -0.346 118.776 119.070 0.086 0.000 2.355 459 H HA -0.109 4.447 4.556 0.000 0.000 0.303 459 H C 1.844 177.185 175.328 0.020 0.000 1.061 459 H CA 1.348 57.431 56.048 0.059 0.000 1.368 459 H CB 0.120 29.919 29.762 0.061 0.000 1.412 459 H HN 0.152 nan 8.280 nan 0.000 0.523 460 D N 0.490 120.918 120.400 0.047 0.000 2.271 460 D HA -0.136 4.504 4.640 0.000 0.000 0.207 460 D C 1.250 177.502 176.300 -0.080 0.000 0.983 460 D CA 1.163 55.144 54.000 -0.032 0.000 0.878 460 D CB -0.052 40.770 40.800 0.037 0.000 0.920 460 D HN 0.644 nan 8.370 nan 0.000 0.479 461 E N -0.696 119.465 120.200 -0.065 0.000 2.476 461 E HA 0.306 4.656 4.350 0.000 0.000 0.199 461 E C 0.530 177.058 176.600 -0.120 0.000 1.021 461 E CA 0.299 56.653 56.400 -0.077 0.000 0.907 461 E CB 0.537 30.206 29.700 -0.052 0.000 0.974 461 E HN 0.111 nan 8.360 nan 0.000 0.489 462 A N 0.562 123.290 122.820 -0.153 0.000 2.869 462 A HA -0.195 4.125 4.320 0.000 0.000 0.280 462 A C 1.406 178.884 177.584 -0.175 0.000 1.458 462 A CA 0.570 52.498 52.037 -0.180 0.000 0.776 462 A CB -2.464 16.419 19.000 -0.194 0.000 1.028 462 A HN 0.180 nan 8.150 nan 0.000 0.547 463 V N -2.023 117.759 119.914 -0.220 0.000 2.490 463 V HA -0.127 3.993 4.120 0.000 0.000 0.250 463 V C 1.239 177.006 176.094 -0.545 0.000 1.061 463 V CA 2.204 64.241 62.300 -0.439 0.000 1.064 463 V CB -0.671 30.745 31.823 -0.678 0.000 0.670 463 V HN 0.669 nan 8.190 nan 0.000 0.461 464 Y N -1.831 118.434 120.300 -0.058 0.000 2.587 464 Y HA 0.649 5.199 4.550 0.000 0.000 0.337 464 Y C -0.174 175.667 175.900 -0.099 0.000 1.065 464 Y CA -1.187 56.874 58.100 -0.064 0.000 1.126 464 Y CB 1.725 40.154 38.460 -0.052 0.000 1.279 464 Y HN -0.170 nan 8.280 nan 0.000 0.489 465 L N 4.772 126.030 121.223 0.059 0.000 2.408 465 L HA 0.498 4.838 4.340 0.000 0.000 0.257 465 L C -2.815 174.017 176.870 -0.063 0.000 1.053 465 L CA -2.013 52.803 54.840 -0.040 0.000 0.922 465 L CB 1.059 43.062 42.059 -0.092 0.000 1.261 465 L HN 0.359 nan 8.230 nan 0.000 0.458 466 P HA 0.229 nan 4.420 nan 0.000 0.276 466 P C 0.281 177.479 177.300 -0.169 0.000 1.235 466 P CA 0.019 63.036 63.100 -0.138 0.000 0.772 466 P CB 1.485 33.101 31.700 -0.141 0.000 0.871 467 I N 0.756 121.211 120.570 -0.191 0.000 3.098 467 I HA 0.048 4.218 4.170 0.000 0.000 0.241 467 I C 1.028 177.000 176.117 -0.241 0.000 1.081 467 I CA 0.874 62.077 61.300 -0.163 0.000 1.487 467 I CB -0.025 37.925 38.000 -0.085 0.000 1.366 467 I HN 0.395 nan 8.210 nan 0.000 0.463 468 S N -1.640 113.888 115.700 -0.286 0.000 2.705 468 S HA 0.538 5.009 4.470 0.000 0.000 0.280 468 S C -1.471 172.843 174.600 -0.477 0.000 1.174 468 S CA -0.716 57.248 58.200 -0.394 0.000 0.823 468 S CB 1.320 64.402 63.200 -0.197 0.000 1.162 468 S HN 0.041 nan 8.310 nan 0.000 0.487 469 Y N 1.331 121.590 120.300 -0.068 0.000 2.331 469 Y HA 0.647 5.197 4.550 0.000 0.000 0.338 469 Y C 0.392 176.244 175.900 -0.078 0.000 0.976 469 Y CA -1.320 56.734 58.100 -0.076 0.000 1.137 469 Y CB 0.738 39.158 38.460 -0.066 0.000 1.172 469 Y HN 0.789 nan 8.280 nan 0.000 0.478 470 I N -1.067 119.531 120.570 0.048 0.000 2.863 470 I HA 0.872 5.042 4.170 0.000 0.000 0.311 470 I C -0.361 175.726 176.117 -0.050 0.000 1.026 470 I CA -0.796 60.487 61.300 -0.028 0.000 1.077 470 I CB 2.251 40.213 38.000 -0.063 0.000 1.262 470 I HN 0.317 nan 8.210 nan 0.000 0.461 471 S N 2.716 118.354 115.700 -0.104 0.000 2.607 471 S HA 0.536 5.006 4.470 0.000 0.000 0.303 471 S C -0.393 174.102 174.600 -0.175 0.000 1.086 471 S CA -0.648 57.464 58.200 -0.148 0.000 0.995 471 S CB 1.604 64.704 63.200 -0.167 0.000 1.084 471 S HN 0.683 nan 8.310 nan 0.000 0.507 472 M N 2.549 122.026 119.600 -0.205 0.000 2.260 472 M HA 0.191 4.671 4.480 0.000 0.000 0.348 472 M C -0.690 175.458 176.300 -0.254 0.000 1.342 472 M CA 1.017 56.187 55.300 -0.217 0.000 1.040 472 M CB -0.340 32.125 32.600 -0.225 0.000 1.810 472 M HN 0.597 nan 8.290 nan 0.000 0.453 473 M N 4.334 123.769 119.600 -0.274 0.000 2.404 473 M HA 0.611 5.091 4.480 0.000 0.000 0.338 473 M C -1.305 174.852 176.300 -0.238 0.000 1.150 473 M CA -0.764 54.365 55.300 -0.285 0.000 1.016 473 M CB 1.662 33.977 32.600 -0.475 0.000 1.672 473 M HN 0.444 nan 8.290 nan 0.000 0.448 474 V N 3.002 122.867 119.914 -0.082 0.000 2.876 474 V HA 0.662 4.782 4.120 0.000 0.000 0.312 474 V C -1.087 175.011 176.094 0.007 0.000 1.085 474 V CA -0.758 61.468 62.300 -0.122 0.000 0.945 474 V CB 2.526 34.248 31.823 -0.168 0.000 1.017 474 V HN 0.596 nan 8.190 nan 0.000 0.428 475 V N 3.166 123.029 119.914 -0.086 0.000 2.577 475 V HA 0.637 4.758 4.120 0.000 0.000 0.294 475 V C -0.383 175.577 176.094 -0.225 0.000 1.052 475 V CA -0.203 61.962 62.300 -0.225 0.000 0.891 475 V CB 2.222 33.786 31.823 -0.431 0.000 1.017 475 V HN 1.067 nan 8.190 nan 0.000 0.436 476 S N 4.142 119.863 115.700 0.035 0.000 2.634 476 S HA 0.699 5.169 4.470 0.000 0.000 0.296 476 S C -0.712 174.125 174.600 0.395 0.000 1.104 476 S CA -1.124 57.203 58.200 0.212 0.000 0.920 476 S CB 2.020 65.340 63.200 0.200 0.000 1.111 476 S HN 0.517 nan 8.310 nan 0.000 0.493 477 K N 1.434 122.042 120.400 0.347 0.000 2.448 477 K HA 0.174 4.495 4.320 0.000 0.000 0.278 477 K C -1.792 174.898 176.600 0.150 0.000 1.009 477 K CA -1.598 54.820 56.287 0.217 0.000 0.995 477 K CB 0.198 32.763 32.500 0.108 0.000 0.917 477 K HN 0.361 nan 8.250 nan 0.000 0.481 478 P HA -0.231 nan 4.420 nan 0.000 0.216 478 P C 0.276 177.564 177.300 -0.019 0.000 1.150 478 P CA 1.399 64.520 63.100 0.035 0.000 0.843 478 P CB 0.202 31.907 31.700 0.008 0.000 0.787 479 E N -0.287 119.912 120.200 -0.001 0.000 2.086 479 E HA -0.201 4.149 4.350 0.000 0.000 0.200 479 E C 1.913 178.505 176.600 -0.012 0.000 1.012 479 E CA 1.099 57.493 56.400 -0.010 0.000 0.812 479 E CB -0.965 28.735 29.700 0.000 0.000 0.743 479 E HN 0.263 nan 8.360 nan 0.000 0.453 480 L N -0.074 121.155 121.223 0.011 0.000 2.353 480 L HA -0.080 4.260 4.340 0.000 0.000 0.220 480 L C 1.327 178.190 176.870 -0.012 0.000 1.133 480 L CA 0.699 55.551 54.840 0.021 0.000 0.798 480 L CB -0.773 41.322 42.059 0.061 0.000 0.922 480 L HN 0.367 nan 8.230 nan 0.000 0.445 481 G N -0.282 108.474 108.800 -0.075 0.000 2.428 481 G HA2 -0.236 3.725 3.960 0.000 0.000 0.202 481 G HA3 -0.236 3.725 3.960 0.000 0.000 0.202 481 G C -0.720 174.025 174.900 -0.257 0.000 1.247 481 G CA -0.362 44.658 45.100 -0.135 0.000 1.020 481 G HN 0.157 nan 8.290 nan 0.000 0.529 482 N N 0.973 119.565 118.700 -0.179 0.000 2.501 482 N HA 0.396 5.136 4.740 0.000 0.000 0.245 482 N C 0.137 175.628 175.510 -0.032 0.000 0.974 482 N CA -0.669 52.319 53.050 -0.104 0.000 0.941 482 N CB 0.294 38.739 38.487 -0.069 0.000 1.122 482 N HN 0.451 nan 8.380 nan 0.000 0.507 483 I N 4.600 125.175 120.570 0.009 0.000 2.533 483 I HA 0.221 4.391 4.170 0.000 0.000 0.284 483 I C -1.910 174.068 176.117 -0.232 0.000 1.109 483 I CA -1.858 59.416 61.300 -0.043 0.000 1.412 483 I CB 0.142 38.170 38.000 0.047 0.000 1.396 483 I HN 0.301 nan 8.210 nan 0.000 0.543 484 P HA 0.321 nan 4.420 nan 0.000 0.278 484 P C -1.321 175.870 177.300 -0.181 0.000 1.258 484 P CA -0.281 62.676 63.100 -0.238 0.000 0.811 484 P CB 0.476 32.139 31.700 -0.063 0.000 1.063 485 Y N -0.469 119.908 120.300 0.128 0.000 2.360 485 Y HA 0.565 5.115 4.550 0.000 0.000 0.337 485 Y C 0.838 176.808 175.900 0.117 0.000 1.039 485 Y CA -1.355 56.843 58.100 0.162 0.000 1.109 485 Y CB 1.264 39.786 38.460 0.102 0.000 1.201 485 Y HN 0.327 nan 8.280 nan 0.000 0.458 486 A N 4.276 127.264 122.820 0.280 0.000 2.388 486 A HA 0.312 4.632 4.320 0.000 0.000 0.257 486 A C -1.684 176.009 177.584 0.182 0.000 1.095 486 A CA -1.339 50.795 52.037 0.163 0.000 0.791 486 A CB 0.201 19.260 19.000 0.099 0.000 1.029 486 A HN 0.669 nan 8.150 nan 0.000 0.489 487 P HA -0.111 nan 4.420 nan 0.000 0.216 487 P C 0.178 177.653 177.300 0.292 0.000 1.153 487 P CA 0.943 64.162 63.100 0.198 0.000 0.858 487 P CB -0.066 31.711 31.700 0.128 0.000 0.789 488 I N -0.285 120.438 120.570 0.256 0.000 2.396 488 I HA 0.104 4.274 4.170 0.000 0.000 0.289 488 I C 1.652 177.887 176.117 0.197 0.000 1.056 488 I CA -0.881 60.552 61.300 0.221 0.000 1.365 488 I CB -0.011 38.091 38.000 0.170 0.000 1.407 488 I HN -0.066 nan 8.210 nan 0.000 0.509 489 A N 5.404 128.346 122.820 0.204 0.000 1.986 489 A HA -0.202 4.118 4.320 0.000 0.000 0.220 489 A C 1.970 179.657 177.584 0.171 0.000 1.171 489 A CA 2.458 54.599 52.037 0.173 0.000 0.640 489 A CB -0.786 18.305 19.000 0.151 0.000 0.811 489 A HN 0.815 nan 8.150 nan 0.000 0.451 490 T N -1.524 113.126 114.554 0.160 0.000 3.054 490 T HA 0.107 4.457 4.350 0.000 0.000 0.259 490 T C 0.619 175.392 174.700 0.121 0.000 1.092 490 T CA 0.298 62.483 62.100 0.143 0.000 1.121 490 T CB -0.154 68.776 68.868 0.104 0.000 0.912 490 T HN 0.600 nan 8.240 nan 0.000 0.489 491 E N 1.515 121.770 120.200 0.092 0.000 2.383 491 E HA 0.307 4.657 4.350 0.000 0.000 0.264 491 E C -0.572 175.964 176.600 -0.108 0.000 1.050 491 E CA -0.434 55.982 56.400 0.026 0.000 0.896 491 E CB 0.685 30.404 29.700 0.032 0.000 0.982 491 E HN 0.225 nan 8.360 nan 0.000 0.424 492 I N 3.362 123.763 120.570 -0.282 0.000 2.382 492 I HA 0.181 4.351 4.170 0.000 0.000 0.286 492 I C -2.136 173.624 176.117 -0.596 0.000 1.002 492 I CA -3.052 57.768 61.300 -0.799 0.000 1.135 492 I CB 0.877 38.118 38.000 -1.264 0.000 1.288 492 I HN 0.255 nan 8.210 nan 0.000 0.448 493 P HA 0.203 nan 4.420 nan 0.000 0.218 493 P C 1.058 178.307 177.300 -0.086 0.000 1.793 493 P CA -0.229 62.779 63.100 -0.153 0.000 0.941 493 P CB -0.265 31.394 31.700 -0.068 0.000 1.919 494 F N 1.965 121.880 119.950 -0.058 0.000 2.111 494 F HA -0.264 4.263 4.527 0.000 0.000 0.300 494 F C 2.471 178.475 175.800 0.339 0.000 1.088 494 F CA 1.600 59.594 58.000 -0.009 0.000 1.243 494 F CB -0.437 38.348 39.000 -0.358 0.000 0.996 494 F HN 0.205 nan 8.300 nan 0.000 0.483 495 E N 0.812 121.421 120.200 0.680 0.000 2.396 495 E HA -0.236 4.114 4.350 0.000 0.000 0.200 495 E C 1.246 177.971 176.600 0.207 0.000 1.023 495 E CA 1.236 57.872 56.400 0.394 0.000 0.857 495 E CB -0.484 29.283 29.700 0.112 0.000 0.775 495 E HN 0.582 nan 8.360 nan 0.000 0.525 496 Q N 0.228 120.130 119.800 0.170 0.000 2.282 496 Q HA 0.292 4.632 4.340 0.000 0.000 0.206 496 Q C 0.574 176.624 176.000 0.083 0.000 0.878 496 Q CA -0.149 55.711 55.803 0.096 0.000 0.944 496 Q CB 0.830 29.604 28.738 0.060 0.000 1.100 496 Q HN 0.331 nan 8.270 nan 0.000 0.509 497 I N 3.214 123.855 120.570 0.118 0.000 2.575 497 I HA 0.052 4.223 4.170 0.000 0.000 0.285 497 I C 0.138 176.310 176.117 0.091 0.000 1.085 497 I CA 0.133 61.490 61.300 0.095 0.000 1.403 497 I CB 0.536 38.607 38.000 0.118 0.000 1.409 497 I HN -0.102 nan 8.210 nan 0.000 0.557 498 K N 6.262 126.696 120.400 0.056 0.000 2.482 498 K HA 0.574 4.894 4.320 0.000 0.000 0.251 498 K C -2.797 173.820 176.600 0.028 0.000 0.936 498 K CA -1.791 54.522 56.287 0.044 0.000 0.791 498 K CB 1.255 33.773 32.500 0.030 0.000 1.213 498 K HN 0.155 nan 8.250 nan 0.000 0.428 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.110 63.100 0.017 0.000 0.800 499 P CB 0.000 31.710 31.700 0.016 0.000 0.726