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 1k62_1_B DATA FIRST_RESID 6 DATA SEQUENCE GKLWGGRFVG AVDPIMEKFN ASIAYDRHLW EVDVQGSKAY SRGLEKAGLL DATA SEQUENCE TKAEMDQILH GLDKVAEEWA QGTFKLNSND EDIHTANERR LKELIGATAG DATA SEQUENCE KLHTGRSRND QVVTDLRLWM RQTCSTLSGL LWELIRTMVD RAEAERDVLF DATA SEQUENCE PGYTHLQRAQ PIRWSHWILS HAVALTRDSE RLLEVRKRIN VLPLGSGAIA DATA SEQUENCE GNPLGVDREL LRAELNFGAI TLNSMDATSE RDFVAEFLFW RSLCMTHLSR DATA SEQUENCE MAEDLILYCT KEFSFVQLSD AYSTGSSLMP RKKNPDSLEL IRSKAGRVFG DATA SEQUENCE RCAGLLMTLK GLPSTYNKDL QEDKEAVFEV SDTMSAVLQV ATGVISTLQI DATA SEQUENCE HQENMGQALS PDMLATDLAY YLVRKGMPFR QAHEASGKAV FMAETKGVAL DATA SEQUENCE NQLSLQELQT ISPLFSGDVI CVWDYRHSVE QYGALGGTAR SSVDWQIRQV DATA SEQUENCE RALLQAQQA 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 6 G C 0.000 174.421 174.900 -0.799 0.000 0.946 6 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 7 K N -1.218 118.660 120.400 -0.870 0.000 3.553 7 K HA -0.175 4.145 4.320 0.002 0.000 0.280 7 K C 1.641 177.852 176.600 -0.648 0.000 1.061 7 K CA 1.576 57.387 56.287 -0.794 0.000 1.101 7 K CB -1.003 31.164 32.500 -0.556 0.000 1.421 7 K HN 0.222 nan 8.250 nan 0.000 0.440 8 L N -0.655 120.039 121.223 -0.882 0.000 2.591 8 L HA 0.050 4.391 4.340 0.002 0.000 0.228 8 L C 0.620 177.435 176.870 -0.091 0.000 1.133 8 L CA 1.031 55.630 54.840 -0.401 0.000 0.880 8 L CB -0.903 41.015 42.059 -0.235 0.000 1.033 8 L HN 0.315 nan 8.230 nan 0.000 0.450 9 W N -2.440 118.894 121.300 0.057 0.000 3.042 9 W HA 0.677 5.338 4.660 0.001 0.000 0.342 9 W C 0.323 176.922 176.519 0.134 0.000 1.240 9 W CA -1.399 55.994 57.345 0.081 0.000 1.166 9 W CB -0.235 29.280 29.460 0.092 0.000 1.469 9 W HN -0.110 nan 8.180 nan 0.000 0.579 10 G N 0.079 109.120 108.800 0.402 0.000 2.611 10 G HA2 0.600 4.560 3.960 0.002 0.000 0.273 10 G HA3 0.600 4.560 3.960 0.002 0.000 0.273 10 G C 0.045 175.270 174.900 0.543 0.000 1.305 10 G CA 0.255 45.563 45.100 0.345 0.000 1.010 10 G HN 1.796 nan 8.290 nan 0.000 0.509 11 G N -1.376 107.673 108.800 0.416 0.000 2.332 11 G HA2 0.301 4.262 3.960 0.002 0.000 0.265 11 G HA3 0.301 4.262 3.960 0.002 0.000 0.265 11 G C -0.934 174.069 174.900 0.171 0.000 1.329 11 G CA -0.292 44.968 45.100 0.267 0.000 0.949 11 G HN 0.744 nan 8.290 nan 0.000 0.476 12 R N 0.140 120.582 120.500 -0.097 0.000 2.312 12 R HA 0.581 4.922 4.340 0.002 0.000 0.310 12 R C -1.292 174.871 176.300 -0.228 0.000 1.064 12 R CA -0.574 55.489 56.100 -0.062 0.000 0.983 12 R CB -0.145 30.119 30.300 -0.061 0.000 1.139 12 R HN 0.228 nan 8.270 nan 0.000 0.536 13 F N 5.007 124.978 119.950 0.036 0.000 2.318 13 F HA 0.131 4.659 4.527 0.002 0.000 0.356 13 F C 1.369 177.180 175.800 0.018 0.000 1.109 13 F CA -0.731 57.284 58.000 0.025 0.000 1.234 13 F CB 1.453 40.456 39.000 0.005 0.000 1.545 13 F HN 0.281 nan 8.300 nan 0.000 0.534 14 V N -0.093 119.891 119.914 0.116 0.000 2.951 14 V HA 0.623 4.744 4.120 0.002 0.000 0.255 14 V C 1.155 177.297 176.094 0.079 0.000 1.088 14 V CA 1.037 63.388 62.300 0.084 0.000 1.109 14 V CB -0.549 31.302 31.823 0.048 0.000 0.724 14 V HN 0.819 nan 8.190 nan 0.000 0.471 15 G N -0.122 108.730 108.800 0.087 0.000 2.233 15 G HA2 0.340 4.301 3.960 0.002 0.000 0.162 15 G HA3 0.340 4.301 3.960 0.002 0.000 0.162 15 G C 0.351 175.287 174.900 0.059 0.000 1.327 15 G CA -0.184 44.960 45.100 0.072 0.000 1.187 15 G HN 1.218 nan 8.290 nan 0.000 0.479 16 A N -0.604 122.243 122.820 0.046 0.000 2.535 16 A HA 0.731 5.052 4.320 0.002 0.000 0.273 16 A C 1.142 178.747 177.584 0.035 0.000 1.267 16 A CA 1.399 53.460 52.037 0.040 0.000 0.940 16 A CB 0.163 19.184 19.000 0.035 0.000 1.101 16 A HN 1.417 nan 8.150 nan 0.000 0.521 17 V N -1.281 118.654 119.914 0.036 0.000 3.629 17 V HA 0.197 4.318 4.120 0.002 0.000 0.194 17 V C -0.141 175.976 176.094 0.038 0.000 1.343 17 V CA 0.581 62.902 62.300 0.035 0.000 1.292 17 V CB -0.224 31.619 31.823 0.032 0.000 1.287 17 V HN 0.515 nan 8.190 nan 0.000 0.554 18 D N 1.060 121.482 120.400 0.038 0.000 4.736 18 D HA -0.103 4.538 4.640 0.002 0.000 0.234 18 D C -1.907 174.421 176.300 0.046 0.000 1.210 18 D CA 0.700 54.723 54.000 0.039 0.000 1.126 18 D CB 0.166 40.987 40.800 0.036 0.000 0.669 18 D HN 0.348 nan 8.370 nan 0.000 0.319 19 P HA -0.124 nan 4.420 nan 0.000 0.220 19 P C 2.062 179.399 177.300 0.063 0.000 1.148 19 P CA 0.275 63.404 63.100 0.047 0.000 0.803 19 P CB 0.305 32.028 31.700 0.038 0.000 0.782 20 I N -0.292 120.313 120.570 0.059 0.000 2.163 20 I HA -0.179 3.992 4.170 0.002 0.000 0.240 20 I C 2.496 178.698 176.117 0.141 0.000 1.081 20 I CA 1.459 62.800 61.300 0.069 0.000 1.353 20 I CB -1.485 36.528 38.000 0.022 0.000 1.054 20 I HN 0.021 nan 8.210 nan 0.000 0.407 21 M N 0.893 120.574 119.600 0.135 0.000 2.279 21 M HA -0.204 4.277 4.480 0.002 0.000 0.264 21 M C 2.023 178.426 176.300 0.172 0.000 1.062 21 M CA 1.668 57.093 55.300 0.207 0.000 1.099 21 M CB -0.575 32.105 32.600 0.133 0.000 1.394 21 M HN 0.240 nan 8.290 nan 0.000 0.426 22 E N -0.051 120.217 120.200 0.113 0.000 2.051 22 E HA -0.207 4.144 4.350 0.002 0.000 0.189 22 E C 1.859 178.501 176.600 0.070 0.000 0.979 22 E CA 1.374 57.818 56.400 0.072 0.000 0.803 22 E CB -0.092 29.639 29.700 0.052 0.000 0.761 22 E HN 0.727 nan 8.360 nan 0.000 0.451 23 K N -0.087 120.372 120.400 0.097 0.000 2.155 23 K HA -0.134 4.187 4.320 0.002 0.000 0.203 23 K C 1.876 178.559 176.600 0.139 0.000 1.052 23 K CA 1.036 57.379 56.287 0.093 0.000 0.948 23 K CB -0.425 32.131 32.500 0.093 0.000 0.728 23 K HN 0.115 nan 8.250 nan 0.000 0.448 24 F N 2.340 122.308 119.950 0.030 0.000 2.771 24 F HA 0.065 4.593 4.527 0.002 0.000 0.299 24 F C 1.192 177.018 175.800 0.045 0.000 1.177 24 F CA 0.445 58.468 58.000 0.039 0.000 1.450 24 F CB -0.246 38.771 39.000 0.028 0.000 1.114 24 F HN 0.165 nan 8.300 nan 0.000 0.587 25 N N 0.121 118.748 118.700 -0.121 0.000 2.317 25 N HA 0.253 4.994 4.740 0.002 0.000 0.199 25 N C 0.423 175.865 175.510 -0.113 0.000 1.145 25 N CA 0.524 53.460 53.050 -0.191 0.000 0.882 25 N CB 0.179 38.614 38.487 -0.087 0.000 1.113 25 N HN 0.099 nan 8.380 nan 0.000 0.486 26 A N -0.106 122.674 122.820 -0.068 0.000 2.445 26 A HA 0.409 4.730 4.320 0.002 0.000 0.242 26 A C 0.926 178.404 177.584 -0.176 0.000 1.075 26 A CA 0.427 52.409 52.037 -0.092 0.000 0.777 26 A CB 0.205 19.168 19.000 -0.063 0.000 1.013 26 A HN 0.475 nan 8.150 nan 0.000 0.493 27 S N 1.052 116.566 115.700 -0.311 0.000 2.728 27 S HA 0.013 4.484 4.470 0.002 0.000 0.257 27 S C 1.276 175.361 174.600 -0.859 0.000 1.060 27 S CA 0.560 58.306 58.200 -0.757 0.000 1.126 27 S CB -0.481 62.477 63.200 -0.403 0.000 1.099 27 S HN 0.816 nan 8.310 nan 0.000 0.617 28 I N 3.562 123.876 120.570 -0.426 0.000 2.423 28 I HA 0.007 4.178 4.170 0.002 0.000 0.254 28 I C 2.346 178.276 176.117 -0.312 0.000 1.151 28 I CA 1.170 62.285 61.300 -0.307 0.000 1.421 28 I CB -0.774 37.137 38.000 -0.149 0.000 1.079 28 I HN 0.402 nan 8.210 nan 0.000 0.431 29 A N -0.145 122.480 122.820 -0.324 0.000 2.024 29 A HA -0.215 4.106 4.320 0.002 0.000 0.220 29 A C 1.950 179.469 177.584 -0.108 0.000 1.164 29 A CA 2.296 54.235 52.037 -0.164 0.000 0.643 29 A CB -0.905 18.063 19.000 -0.053 0.000 0.806 29 A HN 0.761 nan 8.150 nan 0.000 0.451 30 Y N -2.100 118.178 120.300 -0.037 0.000 2.652 30 Y HA 0.207 4.758 4.550 0.001 0.000 0.274 30 Y C 1.203 177.080 175.900 -0.038 0.000 1.148 30 Y CA -0.190 57.903 58.100 -0.013 0.000 1.219 30 Y CB -0.450 38.104 38.460 0.156 0.000 1.337 30 Y HN 0.247 nan 8.280 nan 0.000 0.490 31 D N 1.807 122.208 120.400 0.002 0.000 2.378 31 D HA -0.167 4.474 4.640 0.002 0.000 0.222 31 D C 1.809 177.991 176.300 -0.197 0.000 0.980 31 D CA 0.689 54.732 54.000 0.072 0.000 0.907 31 D CB -0.385 40.381 40.800 -0.056 0.000 0.899 31 D HN 0.485 nan 8.370 nan 0.000 0.527 32 R N -0.070 120.233 120.500 -0.329 0.000 2.211 32 R HA -0.192 4.149 4.340 0.002 0.000 0.240 32 R C 1.335 177.394 176.300 -0.400 0.000 1.144 32 R CA 1.118 56.964 56.100 -0.422 0.000 0.992 32 R CB -0.328 29.721 30.300 -0.419 0.000 0.869 32 R HN 0.356 nan 8.270 nan 0.000 0.462 33 H N 0.058 118.977 119.070 -0.252 0.000 2.546 33 H HA -0.027 4.530 4.556 0.001 0.000 0.277 33 H C 1.590 176.709 175.328 -0.349 0.000 1.004 33 H CA 0.792 56.684 56.048 -0.261 0.000 1.231 33 H CB 0.179 29.649 29.762 -0.487 0.000 1.382 33 H HN 0.267 nan 8.280 nan 0.000 0.580 34 L N 1.134 122.222 121.223 -0.224 0.000 2.599 34 L HA -0.054 4.287 4.340 0.002 0.000 0.230 34 L C 2.336 179.050 176.870 -0.261 0.000 1.141 34 L CA -0.196 54.535 54.840 -0.182 0.000 0.877 34 L CB -0.388 41.607 42.059 -0.106 0.000 1.009 34 L HN 0.426 nan 8.230 nan 0.000 0.447 35 W N 0.425 121.464 121.300 -0.436 0.000 2.342 35 W HA -0.182 4.479 4.660 0.001 0.000 0.297 35 W C 1.588 177.906 176.519 -0.335 0.000 1.213 35 W CA 0.720 57.689 57.345 -0.626 0.000 1.251 35 W CB -0.651 27.887 29.460 -1.537 0.000 1.136 35 W HN 0.187 nan 8.180 nan 0.000 0.526 36 E N 1.611 121.043 120.200 -1.281 0.000 2.012 36 E HA -0.214 4.137 4.350 0.002 0.000 0.197 36 E C 2.442 178.833 176.600 -0.349 0.000 1.007 36 E CA 2.728 58.490 56.400 -1.064 0.000 0.816 36 E CB -0.679 28.293 29.700 -1.214 0.000 0.762 36 E HN 0.293 nan 8.360 nan 0.000 0.451 37 V N -0.669 119.100 119.914 -0.241 0.000 2.626 37 V HA -0.168 3.953 4.120 0.002 0.000 0.252 37 V C 2.010 178.115 176.094 0.018 0.000 1.067 37 V CA 2.279 64.545 62.300 -0.056 0.000 1.081 37 V CB -0.568 31.279 31.823 0.039 0.000 0.686 37 V HN 0.042 nan 8.190 nan 0.000 0.468 38 D N 0.755 121.164 120.400 0.016 0.000 2.097 38 D HA -0.141 4.500 4.640 0.002 0.000 0.197 38 D C 2.002 178.369 176.300 0.112 0.000 0.984 38 D CA 1.814 55.871 54.000 0.095 0.000 0.826 38 D CB -0.119 40.743 40.800 0.103 0.000 0.973 38 D HN 0.297 nan 8.370 nan 0.000 0.460 39 V N 0.532 120.513 119.914 0.112 0.000 2.233 39 V HA -0.287 3.834 4.120 0.002 0.000 0.247 39 V C 2.609 178.773 176.094 0.117 0.000 1.050 39 V CA 2.269 64.661 62.300 0.152 0.000 1.010 39 V CB -0.911 31.040 31.823 0.213 0.000 0.637 39 V HN 0.375 nan 8.190 nan 0.000 0.444 40 Q N 0.343 120.189 119.800 0.077 0.000 2.077 40 Q HA -0.222 4.119 4.340 0.002 0.000 0.206 40 Q C 2.145 178.199 176.000 0.090 0.000 0.989 40 Q CA 2.415 58.256 55.803 0.064 0.000 0.853 40 Q CB -0.633 28.116 28.738 0.019 0.000 0.907 40 Q HN 0.638 nan 8.270 nan 0.000 0.418 41 G N -0.769 108.090 108.800 0.099 0.000 2.471 41 G HA2 -0.161 3.800 3.960 0.002 0.000 0.219 41 G HA3 -0.161 3.800 3.960 0.002 0.000 0.219 41 G C 1.360 176.340 174.900 0.133 0.000 1.125 41 G CA 0.743 45.913 45.100 0.118 0.000 0.775 41 G HN 0.349 nan 8.290 nan 0.000 0.548 42 S N -0.067 115.716 115.700 0.139 0.000 2.425 42 S HA 0.043 4.514 4.470 0.002 0.000 0.225 42 S C 2.217 176.922 174.600 0.175 0.000 1.024 42 S CA 0.617 58.920 58.200 0.172 0.000 0.951 42 S CB 0.016 63.313 63.200 0.163 0.000 0.796 42 S HN 0.401 nan 8.310 nan 0.000 0.498 43 K N 1.556 122.038 120.400 0.137 0.000 2.097 43 K HA 0.044 4.365 4.320 0.002 0.000 0.205 43 K C 2.259 178.923 176.600 0.107 0.000 1.050 43 K CA 1.170 57.524 56.287 0.112 0.000 0.938 43 K CB -0.217 32.337 32.500 0.091 0.000 0.718 43 K HN 0.304 nan 8.250 nan 0.000 0.442 44 A N 0.404 123.298 122.820 0.124 0.000 1.929 44 A HA -0.159 4.162 4.320 0.002 0.000 0.216 44 A C 1.976 179.646 177.584 0.143 0.000 1.176 44 A CA 0.972 53.080 52.037 0.119 0.000 0.628 44 A CB -0.537 18.541 19.000 0.130 0.000 0.816 44 A HN 0.351 nan 8.150 nan 0.000 0.444 45 Y N 0.554 120.879 120.300 0.041 0.000 2.263 45 Y HA -0.093 4.458 4.550 0.001 0.000 0.292 45 Y C 2.861 178.779 175.900 0.030 0.000 1.130 45 Y CA 1.067 59.184 58.100 0.027 0.000 1.179 45 Y CB -0.490 37.988 38.460 0.031 0.000 0.998 45 Y HN 0.333 nan 8.280 nan 0.000 0.532 46 S N 0.151 115.888 115.700 0.062 0.000 2.353 46 S HA -0.231 4.239 4.470 0.002 0.000 0.222 46 S C 2.189 176.752 174.600 -0.062 0.000 1.035 46 S CA 1.679 59.873 58.200 -0.009 0.000 1.025 46 S CB -0.275 62.963 63.200 0.062 0.000 0.902 46 S HN 0.558 nan 8.310 nan 0.000 0.440 47 R N 0.031 120.518 120.500 -0.021 0.000 2.152 47 R HA -0.031 4.310 4.340 0.002 0.000 0.232 47 R C 2.494 178.754 176.300 -0.067 0.000 1.117 47 R CA 0.999 57.084 56.100 -0.025 0.000 0.981 47 R CB -0.724 29.579 30.300 0.007 0.000 0.870 47 R HN 0.571 nan 8.270 nan 0.000 0.451 48 G N 1.169 109.899 108.800 -0.117 0.000 2.414 48 G HA2 -0.203 3.757 3.960 0.002 0.000 0.215 48 G HA3 -0.203 3.757 3.960 0.002 0.000 0.215 48 G C 1.423 176.192 174.900 -0.219 0.000 1.188 48 G CA 0.239 45.243 45.100 -0.161 0.000 0.783 48 G HN 0.109 nan 8.290 nan 0.000 0.537 49 L N 0.219 121.232 121.223 -0.351 0.000 2.043 49 L HA -0.140 4.201 4.340 0.002 0.000 0.212 49 L C 2.860 179.644 176.870 -0.144 0.000 1.075 49 L CA 1.423 56.093 54.840 -0.283 0.000 0.752 49 L CB -0.426 41.453 42.059 -0.300 0.000 0.891 49 L HN 0.220 nan 8.230 nan 0.000 0.432 50 E N 1.188 121.322 120.200 -0.110 0.000 2.013 50 E HA -0.313 4.038 4.350 0.002 0.000 0.202 50 E C 2.119 178.687 176.600 -0.053 0.000 1.018 50 E CA 1.959 58.322 56.400 -0.062 0.000 0.834 50 E CB -0.189 29.486 29.700 -0.041 0.000 0.770 50 E HN 0.344 nan 8.360 nan 0.000 0.459 51 K N 0.004 120.373 120.400 -0.052 0.000 2.113 51 K HA -0.155 4.166 4.320 0.002 0.000 0.208 51 K C 1.892 178.467 176.600 -0.043 0.000 1.047 51 K CA 1.484 57.747 56.287 -0.039 0.000 0.928 51 K CB -0.238 32.241 32.500 -0.034 0.000 0.716 51 K HN 0.140 nan 8.250 nan 0.000 0.446 52 A N 0.313 123.096 122.820 -0.061 0.000 2.172 52 A HA 0.094 4.415 4.320 0.002 0.000 0.216 52 A C 1.223 178.780 177.584 -0.046 0.000 1.154 52 A CA 1.093 53.097 52.037 -0.056 0.000 0.701 52 A CB -0.533 18.420 19.000 -0.078 0.000 0.789 52 A HN 0.601 nan 8.150 nan 0.000 0.465 53 G N -1.397 107.376 108.800 -0.045 0.000 2.248 53 G HA2 -0.186 3.775 3.960 0.002 0.000 0.252 53 G HA3 -0.186 3.775 3.960 0.002 0.000 0.252 53 G C 0.348 175.228 174.900 -0.034 0.000 1.085 53 G CA 0.334 45.414 45.100 -0.034 0.000 0.845 53 G HN 0.481 nan 8.290 nan 0.000 0.494 54 L N -1.408 119.788 121.223 -0.046 0.000 2.638 54 L HA 0.460 4.801 4.340 0.002 0.000 0.232 54 L C 0.806 177.658 176.870 -0.029 0.000 1.099 54 L CA 0.298 55.114 54.840 -0.040 0.000 0.883 54 L CB 0.188 42.212 42.059 -0.059 0.000 1.136 54 L HN 0.459 nan 8.230 nan 0.000 0.492 55 L N -4.303 116.901 121.223 -0.031 0.000 2.568 55 L HA 0.636 4.977 4.340 0.002 0.000 0.257 55 L C -0.201 176.660 176.870 -0.015 0.000 1.024 55 L CA -0.683 54.146 54.840 -0.018 0.000 0.854 55 L CB 1.027 43.077 42.059 -0.015 0.000 1.460 55 L HN -0.104 nan 8.230 nan 0.000 0.409 56 T N -2.790 111.760 114.554 -0.007 0.000 2.902 56 T HA 0.387 4.738 4.350 0.002 0.000 0.280 56 T C 0.831 175.531 174.700 -0.001 0.000 0.992 56 T CA -0.192 61.905 62.100 -0.005 0.000 1.015 56 T CB 1.316 70.183 68.868 -0.002 0.000 1.044 56 T HN 0.858 nan 8.240 nan 0.000 0.520 57 K N 0.876 121.275 120.400 -0.001 0.000 2.286 57 K HA -0.046 4.275 4.320 0.002 0.000 0.203 57 K C 1.980 178.585 176.600 0.008 0.000 1.045 57 K CA 1.688 57.977 56.287 0.004 0.000 0.935 57 K CB -0.979 31.523 32.500 0.003 0.000 0.737 57 K HN 0.748 nan 8.250 nan 0.000 0.460 58 A N 0.021 122.845 122.820 0.006 0.000 1.943 58 A HA 0.024 4.345 4.320 0.002 0.000 0.213 58 A C 1.858 179.449 177.584 0.012 0.000 1.181 58 A CA 0.907 52.947 52.037 0.007 0.000 0.653 58 A CB -0.246 18.755 19.000 0.002 0.000 0.833 58 A HN 0.415 nan 8.150 nan 0.000 0.451 59 E N -0.633 119.574 120.200 0.011 0.000 2.106 59 E HA -0.177 4.174 4.350 0.002 0.000 0.192 59 E C 2.000 178.616 176.600 0.026 0.000 0.984 59 E CA 1.320 57.730 56.400 0.017 0.000 0.806 59 E CB -0.239 29.468 29.700 0.012 0.000 0.750 59 E HN 0.717 nan 8.360 nan 0.000 0.458 60 M N 1.162 120.775 119.600 0.021 0.000 2.086 60 M HA -0.187 4.294 4.480 0.002 0.000 0.261 60 M C 0.976 177.305 176.300 0.049 0.000 1.067 60 M CA 1.813 57.130 55.300 0.028 0.000 1.116 60 M CB 0.099 32.708 32.600 0.015 0.000 1.348 60 M HN -0.110 nan 8.290 nan 0.000 0.407 61 D N -0.053 120.375 120.400 0.047 0.000 2.178 61 D HA -0.186 4.455 4.640 0.002 0.000 0.202 61 D C 1.883 178.237 176.300 0.089 0.000 0.974 61 D CA 1.178 55.220 54.000 0.070 0.000 0.841 61 D CB -0.414 40.416 40.800 0.050 0.000 0.953 61 D HN 0.482 nan 8.370 nan 0.000 0.478 62 Q N 0.698 120.532 119.800 0.056 0.000 1.993 62 Q HA -0.093 4.248 4.340 0.002 0.000 0.202 62 Q C 2.046 178.101 176.000 0.092 0.000 0.984 62 Q CA 1.332 57.166 55.803 0.053 0.000 0.837 62 Q CB -0.454 28.303 28.738 0.031 0.000 0.902 62 Q HN 0.307 nan 8.270 nan 0.000 0.423 63 I N 0.073 120.692 120.570 0.082 0.000 2.142 63 I HA -0.266 3.905 4.170 0.002 0.000 0.240 63 I C 2.421 178.606 176.117 0.114 0.000 1.078 63 I CA 1.071 62.427 61.300 0.094 0.000 1.343 63 I CB -0.422 37.627 38.000 0.082 0.000 1.046 63 I HN 0.310 nan 8.210 nan 0.000 0.405 64 L N 0.299 121.586 121.223 0.107 0.000 1.997 64 L HA -0.353 3.988 4.340 0.002 0.000 0.216 64 L C 2.892 179.832 176.870 0.116 0.000 1.074 64 L CA 1.853 56.756 54.840 0.104 0.000 0.763 64 L CB -0.651 41.462 42.059 0.090 0.000 0.890 64 L HN 0.388 nan 8.230 nan 0.000 0.434 65 H N -0.440 118.663 119.070 0.054 0.000 2.293 65 H HA -0.158 4.399 4.556 0.001 0.000 0.300 65 H C 1.946 177.311 175.328 0.062 0.000 1.082 65 H CA 1.842 57.921 56.048 0.053 0.000 1.308 65 H CB -0.327 29.459 29.762 0.040 0.000 1.375 65 H HN 0.504 nan 8.280 nan 0.000 0.495 66 G N 1.327 110.268 108.800 0.234 0.000 2.469 66 G HA2 -0.246 3.715 3.960 0.002 0.000 0.219 66 G HA3 -0.246 3.715 3.960 0.002 0.000 0.219 66 G C 2.130 177.102 174.900 0.121 0.000 1.150 66 G CA 0.972 46.174 45.100 0.171 0.000 0.763 66 G HN 0.377 nan 8.290 nan 0.000 0.561 67 L N 0.436 121.730 121.223 0.119 0.000 2.013 67 L HA -0.133 4.208 4.340 0.002 0.000 0.212 67 L C 2.598 179.540 176.870 0.120 0.000 1.073 67 L CA 1.526 56.446 54.840 0.134 0.000 0.753 67 L CB -0.487 41.650 42.059 0.130 0.000 0.890 67 L HN 0.132 nan 8.230 nan 0.000 0.432 68 D N -0.161 120.266 120.400 0.045 0.000 2.144 68 D HA -0.207 4.434 4.640 0.002 0.000 0.199 68 D C 2.084 178.402 176.300 0.029 0.000 0.984 68 D CA 1.121 55.130 54.000 0.014 0.000 0.834 68 D CB -0.098 40.635 40.800 -0.111 0.000 0.955 68 D HN 0.263 nan 8.370 nan 0.000 0.465 69 K N 0.698 121.107 120.400 0.015 0.000 2.097 69 K HA -0.090 4.230 4.320 0.002 0.000 0.205 69 K C 1.848 178.497 176.600 0.081 0.000 1.050 69 K CA 0.709 57.021 56.287 0.042 0.000 0.938 69 K CB 0.119 32.657 32.500 0.064 0.000 0.718 69 K HN -0.055 nan 8.250 nan 0.000 0.442 70 V N 1.392 121.386 119.914 0.134 0.000 2.295 70 V HA -0.239 3.882 4.120 0.002 0.000 0.246 70 V C 2.492 178.762 176.094 0.294 0.000 1.049 70 V CA 1.947 64.374 62.300 0.211 0.000 1.024 70 V CB -0.859 31.141 31.823 0.295 0.000 0.648 70 V HN 0.493 nan 8.190 nan 0.000 0.447 71 A N -0.266 122.752 122.820 0.330 0.000 1.892 71 A HA -0.328 3.993 4.320 0.002 0.000 0.218 71 A C 2.288 180.045 177.584 0.288 0.000 1.188 71 A CA 2.282 54.580 52.037 0.435 0.000 0.631 71 A CB -0.657 18.566 19.000 0.373 0.000 0.822 71 A HN 0.634 nan 8.150 nan 0.000 0.447 72 E N -0.196 120.109 120.200 0.174 0.000 2.070 72 E HA -0.265 4.086 4.350 0.002 0.000 0.197 72 E C 1.942 178.569 176.600 0.045 0.000 1.004 72 E CA 1.637 58.099 56.400 0.102 0.000 0.805 72 E CB -0.192 29.544 29.700 0.060 0.000 0.744 72 E HN 0.758 nan 8.360 nan 0.000 0.451 73 E N -0.571 119.635 120.200 0.010 0.000 2.118 73 E HA -0.212 4.139 4.350 0.002 0.000 0.195 73 E C 1.810 178.323 176.600 -0.144 0.000 0.992 73 E CA 1.218 57.569 56.400 -0.082 0.000 0.804 73 E CB -0.237 29.380 29.700 -0.139 0.000 0.741 73 E HN 0.486 nan 8.360 nan 0.000 0.458 74 W N 0.802 121.973 121.300 -0.216 0.000 2.379 74 W HA -0.102 4.559 4.660 0.001 0.000 0.307 74 W C 2.549 178.700 176.519 -0.614 0.000 1.200 74 W CA 0.888 57.819 57.345 -0.689 0.000 1.297 74 W CB -0.109 28.417 29.460 -1.556 0.000 1.140 74 W HN 0.028 nan 8.180 nan 0.000 0.507 75 A N -0.571 122.179 122.820 -0.116 0.000 2.172 75 A HA -0.151 4.170 4.320 0.002 0.000 0.216 75 A C 1.708 179.320 177.584 0.045 0.000 1.154 75 A CA 1.143 53.216 52.037 0.060 0.000 0.701 75 A CB -0.265 18.847 19.000 0.187 0.000 0.789 75 A HN 0.285 nan 8.150 nan 0.000 0.465 76 Q N -2.142 117.657 119.800 -0.002 0.000 2.280 76 Q HA 0.208 4.549 4.340 0.002 0.000 0.228 76 Q C 1.207 177.196 176.000 -0.019 0.000 0.857 76 Q CA 0.754 56.556 55.803 -0.002 0.000 0.939 76 Q CB 0.394 29.123 28.738 -0.014 0.000 1.114 76 Q HN 0.944 nan 8.270 nan 0.000 0.514 77 G N 0.943 109.720 108.800 -0.039 0.000 2.162 77 G HA2 -0.300 3.661 3.960 0.002 0.000 0.260 77 G HA3 -0.300 3.661 3.960 0.002 0.000 0.260 77 G C 0.924 175.778 174.900 -0.078 0.000 0.976 77 G CA 0.975 46.052 45.100 -0.038 0.000 0.655 77 G HN 0.339 nan 8.290 nan 0.000 0.533 78 T N -0.192 114.299 114.554 -0.105 0.000 3.023 78 T HA 0.158 4.509 4.350 0.002 0.000 0.266 78 T C 1.009 175.577 174.700 -0.220 0.000 1.093 78 T CA 0.429 62.448 62.100 -0.134 0.000 1.129 78 T CB 0.029 68.826 68.868 -0.119 0.000 0.899 78 T HN 0.442 nan 8.240 nan 0.000 0.491 79 F N 3.484 123.147 119.950 -0.479 0.000 2.590 79 F HA 0.098 4.625 4.527 0.001 0.000 0.389 79 F C 0.420 175.907 175.800 -0.522 0.000 1.049 79 F CA -0.284 57.292 58.000 -0.706 0.000 1.199 79 F CB 0.208 38.287 39.000 -1.535 0.000 1.058 79 F HN -0.163 nan 8.300 nan 0.000 0.556 80 K N 7.736 127.744 120.400 -0.654 0.000 2.268 80 K HA 0.263 4.584 4.320 0.002 0.000 0.276 80 K C -0.676 175.767 176.600 -0.262 0.000 1.080 80 K CA -0.849 55.229 56.287 -0.348 0.000 0.910 80 K CB 1.192 33.502 32.500 -0.316 0.000 1.163 80 K HN 0.454 nan 8.250 nan 0.000 0.465 81 L N 2.750 123.988 121.223 0.024 0.000 2.453 81 L HA 0.120 4.461 4.340 0.002 0.000 0.261 81 L C -0.097 176.801 176.870 0.047 0.000 1.179 81 L CA 0.381 55.314 54.840 0.155 0.000 0.813 81 L CB 0.554 42.712 42.059 0.165 0.000 1.110 81 L HN 0.561 nan 8.230 nan 0.000 0.466 82 N N 0.035 118.776 118.700 0.069 0.000 2.372 82 N HA 0.181 4.922 4.740 0.002 0.000 0.291 82 N C 0.424 175.950 175.510 0.026 0.000 1.024 82 N CA 0.026 53.091 53.050 0.026 0.000 0.873 82 N CB 1.422 39.922 38.487 0.020 0.000 1.206 82 N HN 0.721 nan 8.380 nan 0.000 0.486 83 S N 1.381 117.088 115.700 0.012 0.000 2.474 83 S HA -0.116 4.355 4.470 0.002 0.000 0.235 83 S C 0.741 175.348 174.600 0.012 0.000 0.997 83 S CA 0.732 58.939 58.200 0.011 0.000 0.949 83 S CB -0.359 62.845 63.200 0.008 0.000 0.766 83 S HN 0.585 nan 8.310 nan 0.000 0.517 84 N N 1.708 120.415 118.700 0.012 0.000 2.434 84 N HA 0.201 4.941 4.740 0.002 0.000 0.196 84 N C -1.051 174.471 175.510 0.020 0.000 1.183 84 N CA 0.131 53.188 53.050 0.012 0.000 0.849 84 N CB -0.022 38.468 38.487 0.005 0.000 0.992 84 N HN 0.322 nan 8.380 nan 0.000 0.460 85 D N -0.066 120.349 120.400 0.026 0.000 2.375 85 D HA 0.180 4.821 4.640 0.002 0.000 0.247 85 D C 0.541 176.847 176.300 0.011 0.000 1.061 85 D CA -0.381 53.640 54.000 0.034 0.000 0.834 85 D CB 1.664 42.504 40.800 0.068 0.000 1.247 85 D HN 0.062 nan 8.370 nan 0.000 0.489 86 E N 0.808 121.011 120.200 0.003 0.000 2.045 86 E HA 0.017 4.368 4.350 0.002 0.000 0.190 86 E C -0.183 176.384 176.600 -0.055 0.000 0.968 86 E CA 0.597 56.986 56.400 -0.020 0.000 0.813 86 E CB 0.268 29.963 29.700 -0.008 0.000 0.780 86 E HN 0.577 nan 8.360 nan 0.000 0.455 87 D N -1.051 119.323 120.400 -0.044 0.000 2.531 87 D HA 0.125 4.766 4.640 0.002 0.000 0.244 87 D C 0.391 176.621 176.300 -0.117 0.000 1.090 87 D CA -0.738 53.198 54.000 -0.106 0.000 0.989 87 D CB 0.919 41.680 40.800 -0.065 0.000 1.433 87 D HN -0.077 nan 8.370 nan 0.000 0.492 88 I N 0.235 120.655 120.570 -0.250 0.000 2.530 88 I HA -0.234 3.937 4.170 0.002 0.000 0.257 88 I C 1.240 177.248 176.117 -0.183 0.000 1.179 88 I CA 1.695 62.849 61.300 -0.243 0.000 1.440 88 I CB -0.418 37.358 38.000 -0.373 0.000 1.087 88 I HN 0.400 nan 8.210 nan 0.000 0.440 89 H N -0.513 118.551 119.070 -0.009 0.000 2.363 89 H HA -0.002 4.555 4.556 0.001 0.000 0.301 89 H C 2.176 177.503 175.328 -0.001 0.000 1.074 89 H CA 1.867 57.908 56.048 -0.012 0.000 1.354 89 H CB -0.874 28.858 29.762 -0.050 0.000 1.397 89 H HN 0.302 nan 8.280 nan 0.000 0.516 90 T N 1.186 115.805 114.554 0.109 0.000 2.777 90 T HA -0.034 4.317 4.350 0.002 0.000 0.266 90 T C 2.337 177.106 174.700 0.116 0.000 1.040 90 T CA 1.083 63.227 62.100 0.074 0.000 1.141 90 T CB -0.328 68.570 68.868 0.049 0.000 0.868 90 T HN 0.421 nan 8.240 nan 0.000 0.444 91 A N 2.434 125.343 122.820 0.147 0.000 1.865 91 A HA -0.205 4.116 4.320 0.002 0.000 0.217 91 A C 2.209 180.026 177.584 0.388 0.000 1.191 91 A CA 2.024 54.228 52.037 0.278 0.000 0.623 91 A CB -0.876 18.297 19.000 0.288 0.000 0.826 91 A HN 0.424 nan 8.150 nan 0.000 0.444 92 N N 0.270 119.159 118.700 0.316 0.000 2.166 92 N HA -0.146 4.595 4.740 0.002 0.000 0.186 92 N C 1.564 177.229 175.510 0.258 0.000 1.019 92 N CA 1.650 54.913 53.050 0.354 0.000 0.856 92 N CB -0.316 38.343 38.487 0.288 0.000 0.993 92 N HN 0.850 nan 8.380 nan 0.000 0.426 93 E N -0.170 120.134 120.200 0.174 0.000 2.489 93 E HA 0.016 4.367 4.350 0.002 0.000 0.193 93 E C 1.718 178.375 176.600 0.095 0.000 1.057 93 E CA 0.030 56.501 56.400 0.118 0.000 0.866 93 E CB 0.187 29.925 29.700 0.064 0.000 0.916 93 E HN 0.234 nan 8.360 nan 0.000 0.500 94 R N 1.123 121.691 120.500 0.112 0.000 2.112 94 R HA 0.025 4.366 4.340 0.002 0.000 0.216 94 R C 2.192 178.519 176.300 0.044 0.000 1.080 94 R CA 0.721 56.862 56.100 0.069 0.000 0.996 94 R CB 0.117 30.461 30.300 0.073 0.000 0.902 94 R HN 0.045 nan 8.270 nan 0.000 0.449 95 R N 0.937 121.482 120.500 0.075 0.000 2.075 95 R HA 0.010 4.351 4.340 0.002 0.000 0.226 95 R C 2.038 178.361 176.300 0.038 0.000 1.114 95 R CA 0.958 57.058 56.100 -0.001 0.000 0.972 95 R CB -0.892 29.405 30.300 -0.004 0.000 0.869 95 R HN 0.228 nan 8.270 nan 0.000 0.437 96 L N 0.969 122.252 121.223 0.099 0.000 2.450 96 L HA -0.070 4.271 4.340 0.002 0.000 0.224 96 L C 1.495 178.404 176.870 0.065 0.000 1.149 96 L CA 1.794 56.691 54.840 0.096 0.000 0.816 96 L CB -0.470 41.663 42.059 0.125 0.000 0.932 96 L HN 0.377 nan 8.230 nan 0.000 0.449 97 K N -0.196 120.233 120.400 0.048 0.000 2.334 97 K HA -0.021 4.300 4.320 0.002 0.000 0.195 97 K C 1.309 177.916 176.600 0.012 0.000 1.045 97 K CA 0.288 56.595 56.287 0.032 0.000 1.004 97 K CB 0.289 32.807 32.500 0.030 0.000 0.837 97 K HN 0.360 nan 8.250 nan 0.000 0.510 98 E N 0.377 120.574 120.200 -0.004 0.000 2.489 98 E HA 0.026 4.377 4.350 0.002 0.000 0.193 98 E C 0.950 177.537 176.600 -0.021 0.000 1.057 98 E CA 0.187 56.572 56.400 -0.025 0.000 0.866 98 E CB 0.422 30.086 29.700 -0.059 0.000 0.916 98 E HN 0.280 nan 8.360 nan 0.000 0.500 99 L N -0.362 120.861 121.223 -0.000 0.000 2.920 99 L HA 0.302 4.643 4.340 0.002 0.000 0.257 99 L C 1.427 178.312 176.870 0.025 0.000 1.150 99 L CA 0.214 55.060 54.840 0.011 0.000 0.959 99 L CB 0.640 42.714 42.059 0.025 0.000 1.321 99 L HN 0.097 nan 8.230 nan 0.000 0.555 100 I N -2.100 118.486 120.570 0.026 0.000 5.183 100 I HA 0.179 4.350 4.170 0.002 0.000 0.343 100 I C 1.852 177.982 176.117 0.022 0.000 1.230 100 I CA 0.613 61.930 61.300 0.029 0.000 1.473 100 I CB 0.733 38.760 38.000 0.046 0.000 1.569 100 I HN 0.161 nan 8.210 nan 0.000 0.544 101 G N 2.396 111.209 108.800 0.021 0.000 4.475 101 G HA2 -0.493 3.468 3.960 0.002 0.000 0.240 101 G HA3 -0.493 3.468 3.960 0.002 0.000 0.240 101 G C 1.264 176.176 174.900 0.021 0.000 1.662 101 G CA 1.538 46.648 45.100 0.017 0.000 1.658 101 G HN 0.534 nan 8.290 nan 0.000 0.824 102 A N -0.285 122.546 122.820 0.019 0.000 1.881 102 A HA 0.145 4.466 4.320 0.002 0.000 0.208 102 A C 2.799 180.400 177.584 0.028 0.000 1.264 102 A CA 3.848 55.897 52.037 0.020 0.000 0.629 102 A CB -1.536 17.473 19.000 0.015 0.000 0.906 102 A HN 1.775 nan 8.150 nan 0.000 0.476 103 T N -1.350 113.222 114.554 0.029 0.000 2.760 103 T HA -0.154 4.197 4.350 0.002 0.000 0.269 103 T C 1.843 176.572 174.700 0.049 0.000 1.047 103 T CA 2.361 64.482 62.100 0.036 0.000 1.139 103 T CB -1.026 67.862 68.868 0.034 0.000 0.855 103 T HN 1.004 nan 8.240 nan 0.000 0.471 104 A N 2.072 124.923 122.820 0.052 0.000 1.971 104 A HA 0.044 4.365 4.320 0.002 0.000 0.222 104 A C 2.426 180.053 177.584 0.071 0.000 1.182 104 A CA 1.758 53.834 52.037 0.064 0.000 0.649 104 A CB -1.571 17.464 19.000 0.057 0.000 0.818 104 A HN 0.769 nan 8.150 nan 0.000 0.458 105 G N -1.558 107.278 108.800 0.060 0.000 3.374 105 G HA2 0.299 4.260 3.960 0.002 0.000 0.252 105 G HA3 0.299 4.260 3.960 0.002 0.000 0.252 105 G C 0.879 175.825 174.900 0.077 0.000 1.326 105 G CA 0.355 45.495 45.100 0.067 0.000 1.133 105 G HN 0.591 nan 8.290 nan 0.000 0.528 106 K N -0.805 119.645 120.400 0.084 0.000 2.491 106 K HA 0.191 4.512 4.320 0.002 0.000 0.211 106 K C 1.757 178.425 176.600 0.112 0.000 1.210 106 K CA -0.372 55.963 56.287 0.080 0.000 1.003 106 K CB 0.317 32.847 32.500 0.050 0.000 1.009 106 K HN 0.207 nan 8.250 nan 0.000 0.577 107 L N 1.107 122.417 121.223 0.144 0.000 2.083 107 L HA -0.115 4.226 4.340 0.002 0.000 0.209 107 L C 1.653 178.727 176.870 0.339 0.000 1.083 107 L CA 1.970 56.935 54.840 0.208 0.000 0.752 107 L CB -0.258 41.918 42.059 0.195 0.000 0.899 107 L HN 0.194 nan 8.230 nan 0.000 0.433 108 H N -0.818 118.341 119.070 0.148 0.000 2.555 108 H HA 0.217 4.774 4.556 0.001 0.000 0.283 108 H C -0.210 175.198 175.328 0.133 0.000 1.037 108 H CA -0.113 56.005 56.048 0.117 0.000 1.169 108 H CB -0.687 29.100 29.762 0.041 0.000 1.375 108 H HN 0.208 nan 8.280 nan 0.000 0.582 109 T N -0.036 114.619 114.554 0.168 0.000 2.769 109 T HA 0.314 4.664 4.350 0.002 0.000 0.293 109 T C 1.309 176.069 174.700 0.099 0.000 0.931 109 T CA 0.641 62.790 62.100 0.083 0.000 1.139 109 T CB 0.458 69.363 68.868 0.062 0.000 0.881 109 T HN 0.638 nan 8.240 nan 0.000 0.532 110 G N 3.295 112.092 108.800 -0.006 0.000 2.205 110 G HA2 -0.270 3.691 3.960 0.002 0.000 0.261 110 G HA3 -0.270 3.691 3.960 0.002 0.000 0.261 110 G C 0.252 175.098 174.900 -0.090 0.000 0.980 110 G CA 0.241 45.340 45.100 -0.000 0.000 0.632 110 G HN 0.781 nan 8.290 nan 0.000 0.533 111 R N 0.467 120.792 120.500 -0.292 0.000 2.474 111 R HA 0.654 4.995 4.340 0.002 0.000 0.295 111 R C -0.045 175.798 176.300 -0.762 0.000 0.980 111 R CA 0.282 56.026 56.100 -0.592 0.000 0.934 111 R CB 1.259 31.047 30.300 -0.855 0.000 1.101 111 R HN 0.244 nan 8.270 nan 0.000 0.469 112 S N 1.206 116.650 115.700 -0.427 0.000 2.648 112 S HA 0.351 4.822 4.470 0.002 0.000 0.305 112 S C 0.727 175.262 174.600 -0.108 0.000 1.094 112 S CA -0.830 57.230 58.200 -0.233 0.000 0.983 112 S CB 1.490 64.573 63.200 -0.195 0.000 1.101 112 S HN 0.668 nan 8.310 nan 0.000 0.514 113 R N 1.858 122.324 120.500 -0.058 0.000 2.189 113 R HA 0.050 4.391 4.340 0.002 0.000 0.218 113 R C 1.348 177.497 176.300 -0.253 0.000 1.074 113 R CA 0.801 56.803 56.100 -0.163 0.000 0.991 113 R CB -1.143 29.062 30.300 -0.158 0.000 0.883 113 R HN 0.608 nan 8.270 nan 0.000 0.457 114 N N 1.474 119.994 118.700 -0.300 0.000 2.084 114 N HA -0.159 4.582 4.740 0.002 0.000 0.190 114 N C 1.227 176.619 175.510 -0.196 0.000 1.030 114 N CA 1.762 54.602 53.050 -0.350 0.000 0.849 114 N CB -0.344 37.879 38.487 -0.440 0.000 1.012 114 N HN 0.432 nan 8.380 nan 0.000 0.423 115 D N 0.057 120.345 120.400 -0.187 0.000 2.333 115 D HA -0.102 4.539 4.640 0.002 0.000 0.208 115 D C 1.650 177.845 176.300 -0.175 0.000 0.984 115 D CA 0.357 54.261 54.000 -0.160 0.000 0.873 115 D CB -0.155 40.545 40.800 -0.168 0.000 0.935 115 D HN 0.387 nan 8.370 nan 0.000 0.521 116 Q N 0.783 120.461 119.800 -0.204 0.000 2.033 116 Q HA -0.092 4.249 4.340 0.002 0.000 0.196 116 Q C 2.295 178.189 176.000 -0.177 0.000 0.970 116 Q CA 1.074 56.751 55.803 -0.211 0.000 0.828 116 Q CB -0.055 28.537 28.738 -0.244 0.000 0.895 116 Q HN 0.091 nan 8.270 nan 0.000 0.440 117 V N 0.376 120.153 119.914 -0.227 0.000 2.287 117 V HA -0.216 3.905 4.120 0.002 0.000 0.248 117 V C 2.166 178.291 176.094 0.052 0.000 1.053 117 V CA 2.018 64.282 62.300 -0.059 0.000 1.027 117 V CB -0.262 31.563 31.823 0.004 0.000 0.646 117 V HN 0.398 nan 8.190 nan 0.000 0.447 118 V N 0.014 119.941 119.914 0.022 0.000 2.407 118 V HA -0.231 3.890 4.120 0.002 0.000 0.248 118 V C 2.579 178.675 176.094 0.002 0.000 1.055 118 V CA 2.546 64.883 62.300 0.061 0.000 1.049 118 V CB -1.379 30.466 31.823 0.037 0.000 0.662 118 V HN 0.649 nan 8.190 nan 0.000 0.455 119 T N -0.287 114.243 114.554 -0.041 0.000 2.746 119 T HA -0.184 4.167 4.350 0.002 0.000 0.267 119 T C 1.679 176.431 174.700 0.087 0.000 1.039 119 T CA 1.670 63.746 62.100 -0.039 0.000 1.142 119 T CB -0.367 68.457 68.868 -0.072 0.000 0.866 119 T HN 0.482 nan 8.240 nan 0.000 0.444 120 D N 1.001 121.462 120.400 0.102 0.000 2.097 120 D HA -0.020 4.620 4.640 0.002 0.000 0.195 120 D C 2.127 178.542 176.300 0.191 0.000 0.989 120 D CA 0.619 54.713 54.000 0.156 0.000 0.827 120 D CB -0.415 40.500 40.800 0.193 0.000 0.966 120 D HN 0.248 nan 8.370 nan 0.000 0.456 121 L N 0.694 122.018 121.223 0.170 0.000 2.017 121 L HA -0.165 4.175 4.340 0.002 0.000 0.208 121 L C 2.528 179.559 176.870 0.268 0.000 1.073 121 L CA 1.296 56.258 54.840 0.203 0.000 0.745 121 L CB -0.024 42.160 42.059 0.208 0.000 0.894 121 L HN -0.011 nan 8.230 nan 0.000 0.432 122 R N -0.875 119.717 120.500 0.152 0.000 2.092 122 R HA -0.178 4.163 4.340 0.002 0.000 0.231 122 R C 2.062 178.450 176.300 0.147 0.000 1.119 122 R CA 0.925 57.057 56.100 0.053 0.000 0.970 122 R CB -0.424 29.771 30.300 -0.176 0.000 0.864 122 R HN 0.227 nan 8.270 nan 0.000 0.440 123 L N -0.051 121.298 121.223 0.210 0.000 2.017 123 L HA -0.134 4.207 4.340 0.002 0.000 0.208 123 L C 2.047 178.960 176.870 0.072 0.000 1.073 123 L CA 1.606 56.520 54.840 0.124 0.000 0.745 123 L CB -0.710 41.454 42.059 0.176 0.000 0.894 123 L HN 0.209 nan 8.230 nan 0.000 0.432 124 W N -0.248 121.035 121.300 -0.027 0.000 2.355 124 W HA -0.259 4.402 4.660 0.002 0.000 0.309 124 W C 2.478 178.958 176.519 -0.065 0.000 1.206 124 W CA 2.017 59.335 57.345 -0.046 0.000 1.284 124 W CB -0.130 29.345 29.460 0.025 0.000 1.145 124 W HN 0.104 nan 8.180 nan 0.000 0.502 125 M N -0.093 119.685 119.600 0.297 0.000 2.117 125 M HA -0.212 4.269 4.480 0.002 0.000 0.262 125 M C 2.404 178.604 176.300 -0.166 0.000 1.065 125 M CA 1.865 57.193 55.300 0.046 0.000 1.114 125 M CB -0.798 31.853 32.600 0.085 0.000 1.361 125 M HN -0.016 nan 8.290 nan 0.000 0.408 126 R N 0.660 121.088 120.500 -0.121 0.000 2.133 126 R HA -0.250 4.091 4.340 0.002 0.000 0.247 126 R C 2.042 178.203 176.300 -0.231 0.000 1.151 126 R CA 2.052 58.048 56.100 -0.173 0.000 0.971 126 R CB -0.346 29.831 30.300 -0.205 0.000 0.866 126 R HN 0.527 nan 8.270 nan 0.000 0.447 127 Q N -0.677 118.947 119.800 -0.293 0.000 2.062 127 Q HA -0.082 4.259 4.340 0.002 0.000 0.196 127 Q C 1.657 177.418 176.000 -0.397 0.000 0.967 127 Q CA 1.862 57.460 55.803 -0.341 0.000 0.832 127 Q CB 0.128 28.623 28.738 -0.404 0.000 0.899 127 Q HN 0.332 nan 8.270 nan 0.000 0.442 128 T N 0.057 114.269 114.554 -0.571 0.000 2.788 128 T HA -0.145 4.206 4.350 0.002 0.000 0.268 128 T C 1.874 176.403 174.700 -0.284 0.000 1.044 128 T CA 1.185 62.967 62.100 -0.530 0.000 1.139 128 T CB -0.341 68.055 68.868 -0.786 0.000 0.867 128 T HN 0.377 nan 8.240 nan 0.000 0.454 129 C N 1.141 120.285 119.300 -0.261 0.000 2.432 129 C HA 0.028 4.489 4.460 0.002 0.000 0.282 129 C C 3.180 178.037 174.990 -0.223 0.000 1.388 129 C CA 0.618 59.511 59.018 -0.207 0.000 1.777 129 C CB -1.288 26.326 27.740 -0.211 0.000 1.882 129 C HN 0.587 nan 8.230 nan 0.000 0.520 130 S N 0.969 116.546 115.700 -0.205 0.000 2.345 130 S HA -0.178 4.293 4.470 0.002 0.000 0.220 130 S C 2.189 176.704 174.600 -0.140 0.000 1.031 130 S CA 2.497 60.600 58.200 -0.162 0.000 0.996 130 S CB -0.481 62.635 63.200 -0.140 0.000 0.882 130 S HN 0.805 nan 8.310 nan 0.000 0.445 131 T N 0.344 114.815 114.554 -0.138 0.000 2.788 131 T HA -0.028 4.323 4.350 0.002 0.000 0.268 131 T C 1.755 176.402 174.700 -0.088 0.000 1.044 131 T CA 1.075 63.119 62.100 -0.093 0.000 1.139 131 T CB -0.548 68.262 68.868 -0.098 0.000 0.867 131 T HN 0.223 nan 8.240 nan 0.000 0.454 132 L N 1.691 122.852 121.223 -0.103 0.000 2.042 132 L HA 0.030 4.371 4.340 0.002 0.000 0.210 132 L C 3.034 179.788 176.870 -0.192 0.000 1.076 132 L CA 1.316 56.115 54.840 -0.068 0.000 0.749 132 L CB -1.467 40.587 42.059 -0.008 0.000 0.893 132 L HN 0.316 nan 8.230 nan 0.000 0.432 133 S N -0.563 114.924 115.700 -0.355 0.000 2.368 133 S HA -0.142 4.329 4.470 0.002 0.000 0.225 133 S C 1.988 176.189 174.600 -0.665 0.000 1.030 133 S CA 1.178 58.939 58.200 -0.732 0.000 0.999 133 S CB -0.622 62.056 63.200 -0.869 0.000 0.844 133 S HN 0.614 nan 8.310 nan 0.000 0.459 134 G N 1.572 110.264 108.800 -0.179 0.000 2.404 134 G HA2 -0.102 3.859 3.960 0.002 0.000 0.215 134 G HA3 -0.102 3.859 3.960 0.002 0.000 0.215 134 G C 1.319 176.275 174.900 0.094 0.000 1.174 134 G CA 0.509 45.696 45.100 0.146 0.000 0.780 134 G HN 0.439 nan 8.290 nan 0.000 0.537 135 L N -0.303 120.926 121.223 0.010 0.000 2.079 135 L HA -0.058 4.283 4.340 0.002 0.000 0.210 135 L C 2.694 179.578 176.870 0.022 0.000 1.081 135 L CA 0.501 55.355 54.840 0.024 0.000 0.752 135 L CB -0.433 41.634 42.059 0.014 0.000 0.896 135 L HN 0.217 nan 8.230 nan 0.000 0.433 136 L N -1.021 120.179 121.223 -0.039 0.000 2.072 136 L HA -0.129 4.212 4.340 0.002 0.000 0.205 136 L C 2.246 179.136 176.870 0.034 0.000 1.079 136 L CA 1.629 56.444 54.840 -0.042 0.000 0.752 136 L CB -0.699 41.290 42.059 -0.116 0.000 0.906 136 L HN 0.219 nan 8.230 nan 0.000 0.436 137 W N 0.235 121.543 121.300 0.013 0.000 2.374 137 W HA -0.181 4.480 4.660 0.002 0.000 0.288 137 W C 2.602 179.118 176.519 -0.006 0.000 1.218 137 W CA 1.387 58.730 57.345 -0.003 0.000 1.245 137 W CB -0.728 28.726 29.460 -0.011 0.000 1.126 137 W HN 0.341 nan 8.180 nan 0.000 0.545 138 E N 0.634 120.968 120.200 0.223 0.000 2.106 138 E HA -0.188 4.163 4.350 0.002 0.000 0.192 138 E C 2.080 178.728 176.600 0.081 0.000 0.984 138 E CA 1.119 57.595 56.400 0.126 0.000 0.806 138 E CB -0.727 29.031 29.700 0.097 0.000 0.750 138 E HN 0.088 nan 8.360 nan 0.000 0.458 139 L N 0.263 121.525 121.223 0.065 0.000 2.056 139 L HA -0.013 4.328 4.340 0.002 0.000 0.207 139 L C 2.100 178.989 176.870 0.031 0.000 1.078 139 L CA 1.594 56.453 54.840 0.031 0.000 0.749 139 L CB -0.488 41.575 42.059 0.007 0.000 0.901 139 L HN 0.256 nan 8.230 nan 0.000 0.433 140 I N -0.662 119.942 120.570 0.056 0.000 2.179 140 I HA -0.278 3.893 4.170 0.002 0.000 0.242 140 I C 2.738 178.877 176.117 0.037 0.000 1.088 140 I CA 1.406 62.734 61.300 0.046 0.000 1.357 140 I CB -0.493 37.563 38.000 0.094 0.000 1.051 140 I HN 0.308 nan 8.210 nan 0.000 0.409 141 R N 0.743 121.279 120.500 0.059 0.000 2.091 141 R HA -0.176 4.165 4.340 0.002 0.000 0.238 141 R C 2.235 178.550 176.300 0.025 0.000 1.136 141 R CA 2.239 58.358 56.100 0.033 0.000 0.959 141 R CB -0.363 29.960 30.300 0.038 0.000 0.856 141 R HN 0.315 nan 8.270 nan 0.000 0.437 142 T N 1.269 115.843 114.554 0.032 0.000 2.674 142 T HA -0.159 4.191 4.350 0.002 0.000 0.265 142 T C 1.928 176.644 174.700 0.027 0.000 1.039 142 T CA 1.861 63.980 62.100 0.032 0.000 1.150 142 T CB -0.164 68.725 68.868 0.035 0.000 0.864 142 T HN 0.249 nan 8.240 nan 0.000 0.427 143 M N 0.692 120.299 119.600 0.011 0.000 2.080 143 M HA -0.119 4.362 4.480 0.002 0.000 0.260 143 M C 2.498 178.788 176.300 -0.016 0.000 1.068 143 M CA 1.375 56.670 55.300 -0.008 0.000 1.109 143 M CB -0.754 31.819 32.600 -0.045 0.000 1.342 143 M HN 0.084 nan 8.290 nan 0.000 0.405 144 V N 0.396 120.298 119.914 -0.019 0.000 2.332 144 V HA -0.290 3.831 4.120 0.002 0.000 0.248 144 V C 1.821 177.914 176.094 -0.002 0.000 1.055 144 V CA 1.954 64.240 62.300 -0.023 0.000 1.038 144 V CB -0.802 31.005 31.823 -0.027 0.000 0.651 144 V HN 0.415 nan 8.190 nan 0.000 0.450 145 D N -0.333 120.074 120.400 0.011 0.000 2.117 145 D HA -0.163 4.478 4.640 0.002 0.000 0.197 145 D C 2.316 178.642 176.300 0.043 0.000 0.987 145 D CA 1.246 55.260 54.000 0.024 0.000 0.829 145 D CB -0.305 40.511 40.800 0.026 0.000 0.961 145 D HN 0.334 nan 8.370 nan 0.000 0.460 146 R N 0.674 121.208 120.500 0.056 0.000 2.115 146 R HA -0.033 4.308 4.340 0.002 0.000 0.230 146 R C 2.009 178.370 176.300 0.103 0.000 1.111 146 R CA 1.104 57.261 56.100 0.095 0.000 0.976 146 R CB -0.042 30.337 30.300 0.131 0.000 0.870 146 R HN 0.071 nan 8.270 nan 0.000 0.445 147 A N 0.982 123.831 122.820 0.049 0.000 1.902 147 A HA -0.211 4.110 4.320 0.002 0.000 0.217 147 A C 1.995 179.614 177.584 0.058 0.000 1.181 147 A CA 1.607 53.659 52.037 0.025 0.000 0.623 147 A CB -0.481 18.503 19.000 -0.027 0.000 0.818 147 A HN 0.559 nan 8.150 nan 0.000 0.443 148 E N -0.308 119.921 120.200 0.048 0.000 2.072 148 E HA -0.080 4.271 4.350 0.002 0.000 0.191 148 E C 2.161 178.801 176.600 0.066 0.000 0.985 148 E CA 0.878 57.309 56.400 0.051 0.000 0.801 148 E CB -0.228 29.493 29.700 0.034 0.000 0.750 148 E HN 0.537 nan 8.360 nan 0.000 0.452 149 A N 1.033 123.896 122.820 0.072 0.000 1.933 149 A HA -0.165 4.156 4.320 0.002 0.000 0.218 149 A C 1.462 179.103 177.584 0.095 0.000 1.175 149 A CA 1.426 53.509 52.037 0.076 0.000 0.628 149 A CB -0.236 18.808 19.000 0.074 0.000 0.814 149 A HN 0.288 nan 8.150 nan 0.000 0.444 150 E N -0.966 119.318 120.200 0.140 0.000 2.496 150 E HA 0.150 4.501 4.350 0.002 0.000 0.202 150 E C 1.029 177.746 176.600 0.196 0.000 1.021 150 E CA -0.386 56.123 56.400 0.181 0.000 1.015 150 E CB 0.219 30.099 29.700 0.300 0.000 1.102 150 E HN 0.460 nan 8.360 nan 0.000 0.452 151 R N 0.882 121.464 120.500 0.137 0.000 2.261 151 R HA -0.111 4.230 4.340 0.002 0.000 0.236 151 R C 0.695 177.068 176.300 0.121 0.000 1.141 151 R CA 0.993 57.167 56.100 0.124 0.000 1.001 151 R CB 0.088 30.444 30.300 0.094 0.000 0.866 151 R HN 0.160 nan 8.270 nan 0.000 0.468 152 D N -0.150 120.314 120.400 0.107 0.000 2.368 152 D HA 0.064 4.705 4.640 0.002 0.000 0.218 152 D C -0.286 176.066 176.300 0.086 0.000 1.112 152 D CA 0.167 54.222 54.000 0.092 0.000 0.834 152 D CB 0.698 41.541 40.800 0.071 0.000 0.953 152 D HN -0.080 nan 8.370 nan 0.000 0.505 153 V N 1.615 121.588 119.914 0.098 0.000 2.567 153 V HA 0.345 4.466 4.120 0.002 0.000 0.289 153 V C 0.355 176.505 176.094 0.093 0.000 1.049 153 V CA -0.421 61.905 62.300 0.043 0.000 0.969 153 V CB 2.033 33.821 31.823 -0.058 0.000 0.995 153 V HN -0.022 nan 8.190 nan 0.000 0.471 154 L N 5.369 126.631 121.223 0.066 0.000 2.381 154 L HA 0.764 5.105 4.340 0.002 0.000 0.268 154 L C -0.629 176.324 176.870 0.138 0.000 0.997 154 L CA -0.413 54.513 54.840 0.143 0.000 0.818 154 L CB 1.839 43.975 42.059 0.129 0.000 1.310 154 L HN 0.808 nan 8.230 nan 0.000 0.416 155 F N 0.968 120.828 119.950 -0.149 0.000 2.745 155 F HA 0.765 5.293 4.527 0.002 0.000 0.316 155 F C -2.967 172.674 175.800 -0.265 0.000 1.155 155 F CA -2.294 55.502 58.000 -0.340 0.000 0.937 155 F CB 1.757 40.396 39.000 -0.602 0.000 1.361 155 F HN 0.152 nan 8.300 nan 0.000 0.472 156 P HA 0.309 nan 4.420 nan 0.000 0.277 156 P C -0.690 176.071 177.300 -0.898 0.000 1.240 156 P CA 0.069 62.748 63.100 -0.701 0.000 0.798 156 P CB 1.595 32.907 31.700 -0.647 0.000 0.979 157 G N 1.296 109.754 108.800 -0.569 0.000 2.371 157 G HA2 0.567 4.528 3.960 0.002 0.000 0.326 157 G HA3 0.567 4.528 3.960 0.002 0.000 0.326 157 G C -1.590 173.139 174.900 -0.284 0.000 1.127 157 G CA -0.343 44.581 45.100 -0.292 0.000 0.885 157 G HN 0.343 nan 8.290 nan 0.000 0.477 158 Y N -0.239 120.058 120.300 -0.006 0.000 2.562 158 Y HA 0.706 5.257 4.550 0.001 0.000 0.343 158 Y C 0.604 176.517 175.900 0.022 0.000 1.025 158 Y CA -0.806 57.321 58.100 0.044 0.000 1.082 158 Y CB 2.833 41.367 38.460 0.123 0.000 1.264 158 Y HN 0.671 nan 8.280 nan 0.000 0.478 159 T N -1.685 112.980 114.554 0.185 0.000 2.971 159 T HA 0.315 4.666 4.350 0.002 0.000 0.304 159 T C -0.835 173.890 174.700 0.041 0.000 1.038 159 T CA -0.845 61.242 62.100 -0.022 0.000 1.007 159 T CB 0.955 69.783 68.868 -0.068 0.000 1.055 159 T HN 0.886 nan 8.240 nan 0.000 0.451 160 H N 1.266 120.411 119.070 0.125 0.000 2.921 160 H HA -0.153 4.404 4.556 0.002 0.000 0.281 160 H C 0.945 176.355 175.328 0.137 0.000 1.165 160 H CA 0.734 56.846 56.048 0.107 0.000 1.151 160 H CB -1.310 28.506 29.762 0.090 0.000 1.311 160 H HN 0.885 nan 8.280 nan 0.000 0.361 161 L N -1.166 120.196 121.223 0.232 0.000 4.001 161 L HA -0.255 4.086 4.340 0.002 0.000 0.413 161 L C -0.023 177.085 176.870 0.397 0.000 1.185 161 L CA 1.416 56.403 54.840 0.245 0.000 0.963 161 L CB -0.509 41.631 42.059 0.135 0.000 1.976 161 L HN 0.432 nan 8.230 nan 0.000 0.939 162 Q N 0.352 120.403 119.800 0.419 0.000 2.312 162 Q HA 0.437 4.778 4.340 0.002 0.000 0.263 162 Q C 0.121 176.258 176.000 0.227 0.000 0.995 162 Q CA -0.705 55.289 55.803 0.318 0.000 0.853 162 Q CB 1.627 30.492 28.738 0.212 0.000 1.300 162 Q HN 0.300 nan 8.270 nan 0.000 0.448 163 R N 0.669 121.194 120.500 0.041 0.000 2.502 163 R HA 0.106 4.446 4.340 0.002 0.000 0.292 163 R C 0.597 176.797 176.300 -0.166 0.000 0.998 163 R CA 0.403 56.319 56.100 -0.306 0.000 1.056 163 R CB 0.408 30.561 30.300 -0.245 0.000 0.939 163 R HN 0.718 nan 8.270 nan 0.000 0.411 164 A N 3.795 126.485 122.820 -0.217 0.000 1.983 164 A HA 0.043 4.363 4.320 0.002 0.000 0.207 164 A C 0.071 177.607 177.584 -0.080 0.000 1.412 164 A CA 0.561 52.548 52.037 -0.084 0.000 0.750 164 A CB 0.371 19.346 19.000 -0.041 0.000 1.047 164 A HN 0.764 nan 8.150 nan 0.000 0.504 165 Q N -1.320 118.398 119.800 -0.137 0.000 2.647 165 Q HA 0.438 4.779 4.340 0.002 0.000 0.283 165 Q C -3.249 172.663 176.000 -0.147 0.000 0.943 165 Q CA -2.054 53.697 55.803 -0.086 0.000 0.813 165 Q CB 1.853 30.595 28.738 0.007 0.000 1.477 165 Q HN 0.154 nan 8.270 nan 0.000 0.393 166 P HA 0.250 nan 4.420 nan 0.000 0.271 166 P C -0.651 176.626 177.300 -0.039 0.000 1.216 166 P CA 0.085 63.124 63.100 -0.102 0.000 0.776 166 P CB 0.759 32.428 31.700 -0.052 0.000 0.881 167 I N -1.470 119.100 120.570 0.001 0.000 3.279 167 I HA 0.589 4.760 4.170 0.002 0.000 0.315 167 I C -0.587 175.680 176.117 0.249 0.000 1.187 167 I CA -1.910 59.436 61.300 0.076 0.000 0.953 167 I CB 2.319 40.368 38.000 0.081 0.000 1.279 167 I HN 0.055 nan 8.210 nan 0.000 0.465 168 R N 2.065 122.713 120.500 0.247 0.000 2.308 168 R HA 0.119 4.460 4.340 0.002 0.000 0.305 168 R C 0.582 177.137 176.300 0.424 0.000 1.053 168 R CA -0.453 55.820 56.100 0.289 0.000 0.957 168 R CB 1.107 31.520 30.300 0.187 0.000 1.022 168 R HN 0.882 nan 8.270 nan 0.000 0.461 169 W N 3.802 125.156 121.300 0.091 0.000 2.350 169 W HA -0.212 4.448 4.660 0.001 0.000 0.289 169 W C 0.489 177.080 176.519 0.119 0.000 1.215 169 W CA 1.534 58.743 57.345 -0.226 0.000 1.236 169 W CB -0.025 29.081 29.460 -0.590 0.000 1.130 169 W HN 0.485 nan 8.180 nan 0.000 0.541 170 S N 0.073 115.782 115.700 0.015 0.000 2.382 170 S HA -0.268 4.202 4.470 0.002 0.000 0.228 170 S C 1.434 176.040 174.600 0.010 0.000 1.027 170 S CA 1.864 60.024 58.200 -0.066 0.000 0.991 170 S CB -0.826 62.419 63.200 0.074 0.000 0.823 170 S HN 0.407 nan 8.310 nan 0.000 0.469 171 H N -0.290 118.802 119.070 0.037 0.000 2.352 171 H HA -0.131 4.426 4.556 0.001 0.000 0.299 171 H C 1.724 177.061 175.328 0.016 0.000 1.097 171 H CA 1.900 57.972 56.048 0.040 0.000 1.311 171 H CB -0.408 29.409 29.762 0.091 0.000 1.377 171 H HN 0.587 nan 8.280 nan 0.000 0.504 172 W N 0.714 121.991 121.300 -0.038 0.000 2.358 172 W HA -0.153 4.508 4.660 0.001 0.000 0.303 172 W C 1.971 178.328 176.519 -0.271 0.000 1.208 172 W CA 1.959 59.246 57.345 -0.098 0.000 1.274 172 W CB -0.488 29.084 29.460 0.185 0.000 1.138 172 W HN 0.204 nan 8.180 nan 0.000 0.515 173 I N 0.525 120.921 120.570 -0.291 0.000 2.142 173 I HA -0.363 3.808 4.170 0.002 0.000 0.240 173 I C 2.440 178.310 176.117 -0.413 0.000 1.078 173 I CA 1.605 62.630 61.300 -0.458 0.000 1.343 173 I CB -0.972 36.821 38.000 -0.345 0.000 1.046 173 I HN -0.019 nan 8.210 nan 0.000 0.405 174 L N 0.679 121.722 121.223 -0.299 0.000 2.261 174 L HA -0.211 4.130 4.340 0.002 0.000 0.216 174 L C 2.763 179.420 176.870 -0.355 0.000 1.114 174 L CA 1.476 56.160 54.840 -0.260 0.000 0.777 174 L CB -0.654 41.302 42.059 -0.171 0.000 0.910 174 L HN 0.417 nan 8.230 nan 0.000 0.440 175 S N -1.508 113.881 115.700 -0.520 0.000 2.402 175 S HA -0.189 4.282 4.470 0.002 0.000 0.229 175 S C 1.925 176.167 174.600 -0.596 0.000 1.021 175 S CA 0.797 58.644 58.200 -0.589 0.000 0.974 175 S CB -0.368 62.407 63.200 -0.709 0.000 0.800 175 S HN 0.472 nan 8.310 nan 0.000 0.484 176 H N 1.169 119.929 119.070 -0.518 0.000 2.448 176 H HA 0.389 4.946 4.556 0.001 0.000 0.292 176 H C 2.632 177.763 175.328 -0.328 0.000 1.035 176 H CA 0.968 56.740 56.048 -0.459 0.000 1.349 176 H CB -0.713 28.721 29.762 -0.548 0.000 1.425 176 H HN 0.580 nan 8.280 nan 0.000 0.539 177 A N 0.880 123.592 122.820 -0.182 0.000 1.877 177 A HA -0.122 4.199 4.320 0.002 0.000 0.216 177 A C 2.742 180.253 177.584 -0.121 0.000 1.186 177 A CA 1.636 53.596 52.037 -0.128 0.000 0.620 177 A CB -0.903 18.022 19.000 -0.125 0.000 0.822 177 A HN 0.191 nan 8.150 nan 0.000 0.443 178 V N -0.139 119.676 119.914 -0.165 0.000 2.332 178 V HA -0.275 3.846 4.120 0.002 0.000 0.248 178 V C 3.035 179.047 176.094 -0.136 0.000 1.055 178 V CA 2.017 64.230 62.300 -0.145 0.000 1.038 178 V CB -1.205 30.515 31.823 -0.171 0.000 0.651 178 V HN 0.631 nan 8.190 nan 0.000 0.450 179 A N -0.390 122.301 122.820 -0.215 0.000 1.898 179 A HA -0.119 4.202 4.320 0.002 0.000 0.216 179 A C 2.182 179.706 177.584 -0.101 0.000 1.181 179 A CA 1.594 53.451 52.037 -0.299 0.000 0.620 179 A CB -0.499 18.072 19.000 -0.716 0.000 0.819 179 A HN 0.508 nan 8.150 nan 0.000 0.442 180 L N 0.141 121.334 121.223 -0.050 0.000 2.131 180 L HA -0.153 4.188 4.340 0.002 0.000 0.210 180 L C 2.922 179.831 176.870 0.065 0.000 1.092 180 L CA 1.683 56.555 54.840 0.054 0.000 0.759 180 L CB -0.748 41.317 42.059 0.010 0.000 0.903 180 L HN 0.666 nan 8.230 nan 0.000 0.435 181 T N -3.136 111.439 114.554 0.035 0.000 2.915 181 T HA -0.152 4.199 4.350 0.002 0.000 0.269 181 T C 1.988 176.733 174.700 0.076 0.000 1.071 181 T CA 0.626 62.764 62.100 0.063 0.000 1.132 181 T CB -0.170 68.720 68.868 0.037 0.000 0.878 181 T HN 0.268 nan 8.240 nan 0.000 0.479 182 R N 0.951 121.494 120.500 0.072 0.000 2.090 182 R HA -0.016 4.325 4.340 0.002 0.000 0.228 182 R C 2.152 178.537 176.300 0.142 0.000 1.110 182 R CA 1.477 57.635 56.100 0.096 0.000 0.973 182 R CB -0.256 30.102 30.300 0.096 0.000 0.869 182 R HN 0.443 nan 8.270 nan 0.000 0.440 183 D N -0.081 120.424 120.400 0.174 0.000 2.144 183 D HA -0.133 4.508 4.640 0.002 0.000 0.199 183 D C 1.790 178.262 176.300 0.286 0.000 0.984 183 D CA 1.167 55.317 54.000 0.251 0.000 0.834 183 D CB -0.189 40.716 40.800 0.175 0.000 0.955 183 D HN 0.037 nan 8.370 nan 0.000 0.465 184 S N 0.176 115.955 115.700 0.132 0.000 2.368 184 S HA -0.189 4.282 4.470 0.002 0.000 0.224 184 S C 1.837 176.433 174.600 -0.008 0.000 1.029 184 S CA 1.400 59.596 58.200 -0.007 0.000 0.988 184 S CB -0.018 63.184 63.200 0.002 0.000 0.838 184 S HN 0.288 nan 8.310 nan 0.000 0.462 185 E N 0.326 120.565 120.200 0.064 0.000 2.077 185 E HA -0.141 4.210 4.350 0.002 0.000 0.193 185 E C 2.382 179.004 176.600 0.037 0.000 0.989 185 E CA 0.808 57.245 56.400 0.061 0.000 0.800 185 E CB -0.100 29.645 29.700 0.075 0.000 0.746 185 E HN 0.423 nan 8.360 nan 0.000 0.452 186 R N -0.016 120.529 120.500 0.075 0.000 2.096 186 R HA -0.134 4.207 4.340 0.002 0.000 0.235 186 R C 2.537 178.795 176.300 -0.069 0.000 1.127 186 R CA 1.072 57.226 56.100 0.090 0.000 0.968 186 R CB -0.316 30.132 30.300 0.246 0.000 0.861 186 R HN 0.228 nan 8.270 nan 0.000 0.440 187 L N 1.189 122.236 121.223 -0.292 0.000 2.046 187 L HA -0.152 4.189 4.340 0.002 0.000 0.208 187 L C 1.947 178.618 176.870 -0.331 0.000 1.077 187 L CA 1.609 56.055 54.840 -0.656 0.000 0.747 187 L CB -0.386 41.101 42.059 -0.954 0.000 0.896 187 L HN 0.156 nan 8.230 nan 0.000 0.432 188 L N -0.739 120.364 121.223 -0.200 0.000 2.079 188 L HA -0.240 4.101 4.340 0.002 0.000 0.210 188 L C 2.495 179.333 176.870 -0.053 0.000 1.081 188 L CA 1.633 56.414 54.840 -0.098 0.000 0.752 188 L CB -0.573 41.481 42.059 -0.009 0.000 0.896 188 L HN 0.396 nan 8.230 nan 0.000 0.433 189 E N -0.628 119.554 120.200 -0.030 0.000 2.106 189 E HA -0.161 4.190 4.350 0.002 0.000 0.192 189 E C 2.252 178.858 176.600 0.010 0.000 0.984 189 E CA 1.053 57.457 56.400 0.006 0.000 0.806 189 E CB -0.079 29.641 29.700 0.033 0.000 0.750 189 E HN 0.270 nan 8.360 nan 0.000 0.458 190 V N 1.523 121.432 119.914 -0.007 0.000 2.427 190 V HA -0.222 3.899 4.120 0.002 0.000 0.248 190 V C 2.256 178.358 176.094 0.013 0.000 1.051 190 V CA 1.541 63.861 62.300 0.032 0.000 1.048 190 V CB -0.477 31.369 31.823 0.038 0.000 0.666 190 V HN 0.206 nan 8.190 nan 0.000 0.456 191 R N -0.084 120.384 120.500 -0.052 0.000 2.127 191 R HA -0.135 4.205 4.340 0.002 0.000 0.238 191 R C 2.399 178.685 176.300 -0.025 0.000 1.134 191 R CA 0.976 57.041 56.100 -0.059 0.000 0.975 191 R CB -0.255 29.983 30.300 -0.104 0.000 0.865 191 R HN 0.422 nan 8.270 nan 0.000 0.447 192 K N 0.658 121.054 120.400 -0.008 0.000 2.001 192 K HA -0.096 4.225 4.320 0.002 0.000 0.208 192 K C 1.983 178.596 176.600 0.022 0.000 1.048 192 K CA 1.205 57.496 56.287 0.007 0.000 0.932 192 K CB -0.291 32.217 32.500 0.013 0.000 0.715 192 K HN 0.141 nan 8.250 nan 0.000 0.437 193 R N 0.493 121.014 120.500 0.036 0.000 2.293 193 R HA 0.025 4.366 4.340 0.002 0.000 0.219 193 R C 2.243 178.565 176.300 0.036 0.000 1.091 193 R CA 0.572 56.700 56.100 0.048 0.000 1.004 193 R CB -0.170 30.177 30.300 0.078 0.000 0.865 193 R HN 0.203 nan 8.270 nan 0.000 0.469 194 I N 0.078 120.668 120.570 0.034 0.000 2.480 194 I HA -0.152 4.018 4.170 0.002 0.000 0.251 194 I C 0.923 177.045 176.117 0.008 0.000 1.124 194 I CA 0.453 61.749 61.300 -0.007 0.000 1.444 194 I CB -0.030 37.985 38.000 0.025 0.000 1.098 194 I HN 0.014 nan 8.210 nan 0.000 0.428 195 N N 1.476 120.203 118.700 0.044 0.000 3.210 195 N HA 0.074 4.814 4.740 0.002 0.000 0.314 195 N C -1.107 174.554 175.510 0.252 0.000 1.291 195 N CA 0.252 53.380 53.050 0.130 0.000 1.202 195 N CB -0.162 38.331 38.487 0.011 0.000 1.475 195 N HN -0.098 nan 8.380 nan 0.000 0.554 196 V N 1.635 121.676 119.914 0.211 0.000 2.577 196 V HA 0.273 4.394 4.120 0.002 0.000 0.303 196 V C -0.223 175.689 176.094 -0.303 0.000 1.042 196 V CA -1.044 61.263 62.300 0.013 0.000 0.872 196 V CB 2.133 33.921 31.823 -0.059 0.000 0.998 196 V HN 0.190 nan 8.190 nan 0.000 0.423 197 L N 8.465 129.361 121.223 -0.546 0.000 2.325 197 L HA 0.400 4.741 4.340 0.002 0.000 0.284 197 L C -1.388 175.181 176.870 -0.502 0.000 1.089 197 L CA -1.155 53.097 54.840 -0.979 0.000 0.836 197 L CB 1.934 43.486 42.059 -0.846 0.000 1.184 197 L HN 0.473 nan 8.230 nan 0.000 0.444 198 P HA -0.035 nan 4.420 nan 0.000 0.245 198 P C 0.445 177.614 177.300 -0.220 0.000 1.203 198 P CA -0.244 62.695 63.100 -0.268 0.000 0.792 198 P CB 0.524 32.082 31.700 -0.237 0.000 0.997 199 L N 1.337 122.406 121.223 -0.256 0.000 2.513 199 L HA 0.335 4.676 4.340 0.002 0.000 0.272 199 L C 1.226 178.025 176.870 -0.119 0.000 1.187 199 L CA 1.723 56.451 54.840 -0.186 0.000 0.895 199 L CB -0.807 41.157 42.059 -0.158 0.000 1.147 199 L HN 0.373 nan 8.230 nan 0.000 0.483 200 G N 2.203 110.941 108.800 -0.103 0.000 2.175 200 G HA2 -0.218 3.743 3.960 0.002 0.000 0.182 200 G HA3 -0.218 3.743 3.960 0.002 0.000 0.182 200 G C 0.749 175.615 174.900 -0.056 0.000 1.003 200 G CA 0.163 45.241 45.100 -0.035 0.000 0.666 200 G HN 0.626 nan 8.290 nan 0.000 0.506 201 S N 0.196 115.843 115.700 -0.089 0.000 2.535 201 S HA 0.473 4.944 4.470 0.002 0.000 0.214 201 S C 1.872 176.423 174.600 -0.081 0.000 0.980 201 S CA 1.211 59.366 58.200 -0.075 0.000 0.907 201 S CB 0.305 63.458 63.200 -0.078 0.000 0.790 201 S HN 2.158 nan 8.310 nan 0.000 0.510 202 G N 1.880 110.615 108.800 -0.108 0.000 2.564 202 G HA2 -0.226 3.735 3.960 0.002 0.000 0.273 202 G HA3 -0.226 3.735 3.960 0.002 0.000 0.273 202 G C 0.826 175.648 174.900 -0.129 0.000 1.242 202 G CA 0.022 45.050 45.100 -0.121 0.000 0.951 202 G HN 0.701 nan 8.290 nan 0.000 0.564 203 A N -1.257 121.495 122.820 -0.112 0.000 2.095 203 A HA 0.659 4.980 4.320 0.002 0.000 0.212 203 A C 2.019 179.560 177.584 -0.073 0.000 1.162 203 A CA 2.237 54.203 52.037 -0.118 0.000 0.753 203 A CB 0.035 18.973 19.000 -0.105 0.000 0.840 203 A HN 1.815 nan 8.150 nan 0.000 0.468 204 I N -4.894 115.648 120.570 -0.046 0.000 5.243 204 I HA 0.130 4.301 4.170 0.002 0.000 0.324 204 I C 1.477 177.584 176.117 -0.016 0.000 1.093 204 I CA 0.844 62.135 61.300 -0.016 0.000 1.574 204 I CB -0.628 37.374 38.000 0.003 0.000 1.991 204 I HN 0.054 nan 8.210 nan 0.000 0.636 205 A N 1.399 124.206 122.820 -0.021 0.000 2.195 205 A HA 0.670 4.991 4.320 0.002 0.000 0.210 205 A C 1.128 178.698 177.584 -0.022 0.000 1.165 205 A CA 1.031 53.057 52.037 -0.018 0.000 0.806 205 A CB -0.309 18.682 19.000 -0.015 0.000 0.847 205 A HN 1.043 nan 8.150 nan 0.000 0.482 206 G N -0.577 108.204 108.800 -0.032 0.000 2.343 206 G HA2 -0.063 3.898 3.960 0.002 0.000 0.562 206 G HA3 -0.063 3.898 3.960 0.002 0.000 0.562 206 G C -0.788 174.092 174.900 -0.033 0.000 1.269 206 G CA -0.288 44.792 45.100 -0.033 0.000 1.011 206 G HN 0.437 nan 8.290 nan 0.000 0.498 207 N N 1.488 120.175 118.700 -0.022 0.000 2.430 207 N HA 0.338 5.079 4.740 0.002 0.000 0.265 207 N C -0.556 174.951 175.510 -0.005 0.000 1.100 207 N CA -0.840 52.207 53.050 -0.004 0.000 0.961 207 N CB 1.671 40.174 38.487 0.027 0.000 1.075 207 N HN 0.355 nan 8.380 nan 0.000 0.478 208 P HA 0.039 nan 4.420 nan 0.000 0.227 208 P C 0.870 178.166 177.300 -0.006 0.000 1.161 208 P CA 0.640 63.735 63.100 -0.009 0.000 0.788 208 P CB 0.502 32.194 31.700 -0.013 0.000 0.822 209 L N -0.600 120.623 121.223 -0.001 0.000 2.685 209 L HA 0.362 4.703 4.340 0.002 0.000 0.233 209 L C 1.011 177.874 176.870 -0.013 0.000 1.173 209 L CA 0.168 55.003 54.840 -0.008 0.000 0.961 209 L CB -0.911 41.142 42.059 -0.011 0.000 1.217 209 L HN 0.003 nan 8.230 nan 0.000 0.478 210 G N 1.752 110.548 108.800 -0.008 0.000 2.366 210 G HA2 -0.248 3.713 3.960 0.002 0.000 0.299 210 G HA3 -0.248 3.713 3.960 0.002 0.000 0.299 210 G C 0.272 175.162 174.900 -0.017 0.000 1.020 210 G CA 0.454 45.548 45.100 -0.011 0.000 1.026 210 G HN 0.324 nan 8.290 nan 0.000 0.512 211 V N -2.417 117.489 119.914 -0.014 0.000 3.003 211 V HA 0.601 4.722 4.120 0.002 0.000 0.305 211 V C 0.713 176.798 176.094 -0.015 0.000 1.078 211 V CA -0.896 61.383 62.300 -0.034 0.000 1.083 211 V CB 1.824 33.614 31.823 -0.057 0.000 1.039 211 V HN 0.304 nan 8.190 nan 0.000 0.481 212 D N 2.622 123.009 120.400 -0.022 0.000 2.371 212 D HA 0.164 4.805 4.640 0.002 0.000 0.256 212 D C 1.071 177.371 176.300 0.000 0.000 1.193 212 D CA -0.080 53.914 54.000 -0.011 0.000 0.881 212 D CB 1.061 41.853 40.800 -0.013 0.000 1.143 212 D HN 0.600 nan 8.370 nan 0.000 0.473 213 R N 2.827 123.326 120.500 -0.001 0.000 2.119 213 R HA -0.056 4.285 4.340 0.002 0.000 0.222 213 R C 1.530 177.827 176.300 -0.004 0.000 1.088 213 R CA 0.327 56.424 56.100 -0.005 0.000 0.984 213 R CB 0.141 30.430 30.300 -0.018 0.000 0.884 213 R HN 0.528 nan 8.270 nan 0.000 0.447 214 E N 1.199 121.399 120.200 -0.000 0.000 2.072 214 E HA -0.140 4.211 4.350 0.002 0.000 0.191 214 E C 1.965 178.575 176.600 0.017 0.000 0.985 214 E CA 0.694 57.098 56.400 0.007 0.000 0.801 214 E CB -0.140 29.563 29.700 0.005 0.000 0.750 214 E HN 0.084 nan 8.360 nan 0.000 0.452 215 L N 0.908 122.139 121.223 0.013 0.000 1.970 215 L HA -0.177 4.164 4.340 0.002 0.000 0.212 215 L C 2.363 179.254 176.870 0.036 0.000 1.071 215 L CA 1.606 56.457 54.840 0.018 0.000 0.751 215 L CB -0.858 41.205 42.059 0.007 0.000 0.889 215 L HN 0.098 nan 8.230 nan 0.000 0.432 216 L N -0.486 120.760 121.223 0.038 0.000 2.051 216 L HA -0.264 4.077 4.340 0.002 0.000 0.214 216 L C 2.874 179.795 176.870 0.085 0.000 1.076 216 L CA 1.557 56.435 54.840 0.063 0.000 0.758 216 L CB -0.806 41.288 42.059 0.058 0.000 0.890 216 L HN 0.377 nan 8.230 nan 0.000 0.433 217 R N 0.524 121.061 120.500 0.060 0.000 2.083 217 R HA -0.175 4.166 4.340 0.002 0.000 0.237 217 R C 2.202 178.584 176.300 0.136 0.000 1.137 217 R CA 1.933 58.095 56.100 0.103 0.000 0.951 217 R CB -0.473 29.858 30.300 0.051 0.000 0.851 217 R HN 0.386 nan 8.270 nan 0.000 0.434 218 A N 1.230 124.097 122.820 0.080 0.000 1.898 218 A HA -0.115 4.206 4.320 0.002 0.000 0.216 218 A C 2.030 179.651 177.584 0.062 0.000 1.181 218 A CA 1.186 53.259 52.037 0.060 0.000 0.620 218 A CB -0.345 18.677 19.000 0.037 0.000 0.819 218 A HN 0.306 nan 8.150 nan 0.000 0.442 219 E N 0.377 120.619 120.200 0.070 0.000 2.021 219 E HA -0.180 4.171 4.350 0.002 0.000 0.200 219 E C 1.873 178.518 176.600 0.074 0.000 1.015 219 E CA 1.289 57.728 56.400 0.065 0.000 0.824 219 E CB -0.618 29.126 29.700 0.074 0.000 0.762 219 E HN 0.642 nan 8.360 nan 0.000 0.454 220 L N 1.072 122.379 121.223 0.139 0.000 2.622 220 L HA -0.031 4.310 4.340 0.002 0.000 0.233 220 L C 0.082 176.952 176.870 -0.000 0.000 1.156 220 L CA 0.081 55.008 54.840 0.144 0.000 0.866 220 L CB -0.571 41.741 42.059 0.422 0.000 0.980 220 L HN 0.151 nan 8.230 nan 0.000 0.448 221 N N -0.030 118.693 118.700 0.037 0.000 2.725 221 N HA -0.204 4.537 4.740 0.002 0.000 0.251 221 N C -0.301 175.144 175.510 -0.108 0.000 1.031 221 N CA 0.819 53.847 53.050 -0.036 0.000 0.720 221 N CB -1.202 37.229 38.487 -0.093 0.000 0.930 221 N HN 0.168 nan 8.380 nan 0.000 0.543 222 F N -0.280 119.654 119.950 -0.028 0.000 2.368 222 F HA 0.439 4.968 4.527 0.002 0.000 0.315 222 F C 2.088 177.869 175.800 -0.032 0.000 1.145 222 F CA 0.389 58.367 58.000 -0.037 0.000 1.095 222 F CB 0.578 39.553 39.000 -0.043 0.000 1.286 222 F HN 0.018 nan 8.300 nan 0.000 0.530 223 G N -0.068 108.841 108.800 0.181 0.000 2.603 223 G HA2 0.445 4.406 3.960 0.002 0.000 0.214 223 G HA3 0.445 4.406 3.960 0.002 0.000 0.214 223 G C -0.069 174.878 174.900 0.078 0.000 1.140 223 G CA 0.781 45.934 45.100 0.087 0.000 0.800 223 G HN 0.831 nan 8.290 nan 0.000 0.533 224 A N -0.839 122.037 122.820 0.094 0.000 2.438 224 A HA 0.628 4.949 4.320 0.002 0.000 0.301 224 A C -1.492 176.087 177.584 -0.009 0.000 1.101 224 A CA -0.566 51.492 52.037 0.035 0.000 0.621 224 A CB 0.221 19.232 19.000 0.018 0.000 1.350 224 A HN 0.671 nan 8.150 nan 0.000 0.496 225 I N -1.377 119.170 120.570 -0.038 0.000 2.693 225 I HA 0.750 4.921 4.170 0.002 0.000 0.303 225 I C 0.364 176.435 176.117 -0.076 0.000 1.025 225 I CA -0.539 60.709 61.300 -0.086 0.000 1.086 225 I CB 2.061 40.019 38.000 -0.070 0.000 1.268 225 I HN 0.751 nan 8.210 nan 0.000 0.440 226 T N 2.220 116.712 114.554 -0.103 0.000 2.940 226 T HA 0.247 4.598 4.350 0.002 0.000 0.309 226 T C 1.045 175.714 174.700 -0.050 0.000 1.056 226 T CA -0.458 61.596 62.100 -0.077 0.000 1.137 226 T CB 0.942 69.754 68.868 -0.092 0.000 0.976 226 T HN 0.637 nan 8.240 nan 0.000 0.547 227 L N 1.007 122.211 121.223 -0.033 0.000 2.240 227 L HA 0.168 4.509 4.340 0.002 0.000 0.211 227 L C 1.416 178.274 176.870 -0.020 0.000 1.106 227 L CA 0.617 55.444 54.840 -0.022 0.000 0.793 227 L CB -0.295 41.756 42.059 -0.013 0.000 0.927 227 L HN 0.721 nan 8.230 nan 0.000 0.446 228 N N -0.779 117.909 118.700 -0.021 0.000 2.397 228 N HA 0.049 4.790 4.740 0.002 0.000 0.291 228 N C 0.665 176.164 175.510 -0.019 0.000 1.065 228 N CA 0.305 53.345 53.050 -0.016 0.000 0.884 228 N CB 1.914 40.397 38.487 -0.007 0.000 1.551 228 N HN -0.073 nan 8.380 nan 0.000 0.487 229 S N 3.535 119.222 115.700 -0.021 0.000 2.383 229 S HA -0.165 4.306 4.470 0.002 0.000 0.229 229 S C 1.872 176.466 174.600 -0.011 0.000 1.030 229 S CA 0.946 59.132 58.200 -0.025 0.000 1.002 229 S CB -0.172 63.011 63.200 -0.028 0.000 0.829 229 S HN 0.670 nan 8.310 nan 0.000 0.467 230 M N 1.416 121.016 119.600 -0.000 0.000 2.132 230 M HA -0.055 4.426 4.480 0.002 0.000 0.263 230 M C 2.248 178.563 176.300 0.024 0.000 1.065 230 M CA 1.946 57.254 55.300 0.015 0.000 1.122 230 M CB -0.536 32.072 32.600 0.013 0.000 1.365 230 M HN 0.365 nan 8.290 nan 0.000 0.411 231 D N 0.446 120.856 120.400 0.016 0.000 2.097 231 D HA -0.097 4.544 4.640 0.002 0.000 0.197 231 D C 1.900 178.220 176.300 0.033 0.000 0.984 231 D CA 1.694 55.709 54.000 0.025 0.000 0.826 231 D CB 0.062 40.872 40.800 0.017 0.000 0.973 231 D HN 0.243 nan 8.370 nan 0.000 0.460 232 A N -0.499 122.326 122.820 0.009 0.000 1.986 232 A HA -0.177 4.144 4.320 0.002 0.000 0.220 232 A C 2.294 179.888 177.584 0.017 0.000 1.171 232 A CA 2.672 54.704 52.037 -0.008 0.000 0.640 232 A CB -1.114 17.856 19.000 -0.050 0.000 0.811 232 A HN 0.504 nan 8.150 nan 0.000 0.451 233 T N -3.702 110.872 114.554 0.034 0.000 3.037 233 T HA 0.095 4.446 4.350 0.002 0.000 0.251 233 T C 1.600 176.398 174.700 0.163 0.000 1.079 233 T CA 1.176 63.316 62.100 0.068 0.000 1.067 233 T CB -0.066 68.820 68.868 0.030 0.000 0.948 233 T HN 0.625 nan 8.240 nan 0.000 0.496 234 S N 0.748 116.523 115.700 0.125 0.000 2.539 234 S HA 0.189 4.660 4.470 0.002 0.000 0.226 234 S C 0.527 175.174 174.600 0.079 0.000 1.054 234 S CA -0.402 57.864 58.200 0.111 0.000 0.910 234 S CB -0.278 62.965 63.200 0.070 0.000 0.818 234 S HN 0.712 nan 8.310 nan 0.000 0.490 235 E N 1.628 121.884 120.200 0.094 0.000 2.390 235 E HA 0.410 4.761 4.350 0.002 0.000 0.261 235 E C 0.132 176.824 176.600 0.153 0.000 1.076 235 E CA -0.554 55.905 56.400 0.099 0.000 0.905 235 E CB 0.431 30.194 29.700 0.105 0.000 0.984 235 E HN 0.008 nan 8.360 nan 0.000 0.427 236 R N 2.103 122.636 120.500 0.056 0.000 2.599 236 R HA 0.115 4.456 4.340 0.002 0.000 0.451 236 R C -0.524 175.662 176.300 -0.191 0.000 0.988 236 R CA -0.237 55.779 56.100 -0.140 0.000 1.085 236 R CB 0.080 30.252 30.300 -0.213 0.000 1.452 236 R HN 0.607 nan 8.270 nan 0.000 0.596 237 D N 0.653 121.076 120.400 0.039 0.000 2.149 237 D HA -0.173 4.468 4.640 0.002 0.000 0.198 237 D C 1.650 177.998 176.300 0.081 0.000 0.990 237 D CA 1.320 55.356 54.000 0.060 0.000 0.839 237 D CB -0.186 40.684 40.800 0.116 0.000 0.948 237 D HN 0.373 nan 8.370 nan 0.000 0.460 238 F N -0.318 119.664 119.950 0.053 0.000 2.269 238 F HA -0.087 4.441 4.527 0.002 0.000 0.301 238 F C 1.927 177.791 175.800 0.107 0.000 1.082 238 F CA 0.498 58.541 58.000 0.071 0.000 1.360 238 F CB -0.739 38.287 39.000 0.043 0.000 1.041 238 F HN -0.171 nan 8.300 nan 0.000 0.512 239 V N 1.001 120.521 119.914 -0.656 0.000 2.379 239 V HA -0.064 4.057 4.120 0.002 0.000 0.243 239 V C 2.918 178.986 176.094 -0.044 0.000 1.035 239 V CA 1.395 63.462 62.300 -0.388 0.000 1.035 239 V CB -1.082 30.384 31.823 -0.594 0.000 0.673 239 V HN 0.493 nan 8.190 nan 0.000 0.457 240 A N -0.283 122.491 122.820 -0.077 0.000 1.877 240 A HA -0.283 4.038 4.320 0.002 0.000 0.216 240 A C 2.224 179.883 177.584 0.125 0.000 1.186 240 A CA 2.139 54.183 52.037 0.013 0.000 0.620 240 A CB -0.557 18.431 19.000 -0.020 0.000 0.822 240 A HN 0.588 nan 8.150 nan 0.000 0.443 241 E N -1.396 118.893 120.200 0.149 0.000 2.058 241 E HA -0.222 4.129 4.350 0.002 0.000 0.194 241 E C 1.756 178.557 176.600 0.335 0.000 0.997 241 E CA 1.503 58.041 56.400 0.231 0.000 0.801 241 E CB -0.260 29.564 29.700 0.205 0.000 0.746 241 E HN 0.629 nan 8.360 nan 0.000 0.450 242 F N 0.767 120.824 119.950 0.178 0.000 2.102 242 F HA -0.216 4.312 4.527 0.001 0.000 0.298 242 F C 1.851 177.825 175.800 0.290 0.000 1.105 242 F CA 1.027 59.174 58.000 0.244 0.000 1.239 242 F CB -0.286 38.810 39.000 0.160 0.000 0.991 242 F HN 0.045 nan 8.300 nan 0.000 0.474 243 L N -0.463 120.844 121.223 0.140 0.000 2.079 243 L HA -0.209 4.132 4.340 0.002 0.000 0.210 243 L C 2.262 179.105 176.870 -0.045 0.000 1.081 243 L CA 1.629 56.453 54.840 -0.026 0.000 0.752 243 L CB -1.695 40.391 42.059 0.046 0.000 0.896 243 L HN 0.302 nan 8.230 nan 0.000 0.433 244 F N -1.313 118.620 119.950 -0.029 0.000 2.163 244 F HA -0.223 4.305 4.527 0.002 0.000 0.297 244 F C 2.330 178.079 175.800 -0.085 0.000 1.094 244 F CA 1.012 58.997 58.000 -0.025 0.000 1.290 244 F CB -0.618 38.398 39.000 0.027 0.000 1.017 244 F HN 0.244 nan 8.300 nan 0.000 0.483 245 W N 1.954 123.123 121.300 -0.219 0.000 2.318 245 W HA -0.286 4.375 4.660 0.002 0.000 0.313 245 W C 2.538 178.789 176.519 -0.448 0.000 1.221 245 W CA 3.558 60.715 57.345 -0.312 0.000 1.266 245 W CB -1.048 28.298 29.460 -0.190 0.000 1.150 245 W HN -0.007 nan 8.180 nan 0.000 0.496 246 R N 0.439 120.340 120.500 -0.999 0.000 2.081 246 R HA -0.116 4.224 4.340 0.002 0.000 0.235 246 R C 2.170 177.954 176.300 -0.860 0.000 1.131 246 R CA 2.278 57.624 56.100 -1.256 0.000 0.960 246 R CB -1.648 28.160 30.300 -0.819 0.000 0.856 246 R HN 0.415 nan 8.270 nan 0.000 0.436 247 S N 0.697 116.023 115.700 -0.623 0.000 2.356 247 S HA -0.114 4.357 4.470 0.002 0.000 0.223 247 S C 2.017 176.252 174.600 -0.608 0.000 1.032 247 S CA 1.361 59.288 58.200 -0.455 0.000 1.005 247 S CB -0.297 62.781 63.200 -0.204 0.000 0.867 247 S HN 0.407 nan 8.310 nan 0.000 0.449 248 L N 1.058 121.752 121.223 -0.881 0.000 2.141 248 L HA 0.023 4.364 4.340 0.002 0.000 0.209 248 L C 2.372 178.703 176.870 -0.899 0.000 1.094 248 L CA 1.290 55.619 54.840 -0.851 0.000 0.763 248 L CB -0.921 40.584 42.059 -0.924 0.000 0.908 248 L HN 0.467 nan 8.230 nan 0.000 0.437 249 C N -0.778 117.975 119.300 -0.911 0.000 2.446 249 C HA -0.122 4.338 4.460 0.002 0.000 0.277 249 C C 2.747 177.401 174.990 -0.559 0.000 1.275 249 C CA 0.592 59.142 59.018 -0.780 0.000 1.727 249 C CB -0.543 26.630 27.740 -0.945 0.000 2.010 249 C HN 0.584 nan 8.230 nan 0.000 0.486 250 M N 0.604 119.886 119.600 -0.530 0.000 2.279 250 M HA -0.084 4.397 4.480 0.002 0.000 0.264 250 M C 2.034 178.163 176.300 -0.284 0.000 1.062 250 M CA 1.607 56.697 55.300 -0.351 0.000 1.099 250 M CB -1.960 30.456 32.600 -0.306 0.000 1.394 250 M HN 0.462 nan 8.290 nan 0.000 0.426 251 T N -0.692 113.652 114.554 -0.349 0.000 2.674 251 T HA -0.153 4.198 4.350 0.002 0.000 0.265 251 T C 1.670 176.301 174.700 -0.116 0.000 1.039 251 T CA 1.473 63.424 62.100 -0.249 0.000 1.150 251 T CB -0.419 68.272 68.868 -0.296 0.000 0.864 251 T HN 0.527 nan 8.240 nan 0.000 0.427 252 H N 0.536 119.490 119.070 -0.193 0.000 2.319 252 H HA 0.019 4.575 4.556 0.001 0.000 0.299 252 H C 2.319 177.529 175.328 -0.198 0.000 1.092 252 H CA 0.976 56.928 56.048 -0.160 0.000 1.302 252 H CB -0.208 29.462 29.762 -0.153 0.000 1.373 252 H HN 0.189 nan 8.280 nan 0.000 0.497 253 L N 0.636 121.807 121.223 -0.087 0.000 2.131 253 L HA -0.178 4.163 4.340 0.002 0.000 0.210 253 L C 2.791 179.569 176.870 -0.153 0.000 1.092 253 L CA 1.212 55.960 54.840 -0.152 0.000 0.759 253 L CB -0.399 41.565 42.059 -0.158 0.000 0.903 253 L HN 0.381 nan 8.230 nan 0.000 0.435 254 S N -0.271 115.350 115.700 -0.133 0.000 2.402 254 S HA -0.240 4.231 4.470 0.002 0.000 0.229 254 S C 2.095 176.630 174.600 -0.108 0.000 1.021 254 S CA 0.944 59.074 58.200 -0.116 0.000 0.974 254 S CB -0.327 62.805 63.200 -0.112 0.000 0.800 254 S HN 0.398 nan 8.310 nan 0.000 0.484 255 R N 0.396 120.836 120.500 -0.100 0.000 2.073 255 R HA 0.148 4.489 4.340 0.002 0.000 0.229 255 R C 2.561 178.781 176.300 -0.134 0.000 1.120 255 R CA 1.292 57.351 56.100 -0.069 0.000 0.967 255 R CB -0.331 29.973 30.300 0.007 0.000 0.862 255 R HN 0.562 nan 8.270 nan 0.000 0.436 256 M N 0.031 119.429 119.600 -0.338 0.000 2.175 256 M HA -0.085 4.396 4.480 0.002 0.000 0.264 256 M C 2.036 178.237 176.300 -0.164 0.000 1.063 256 M CA 1.813 56.815 55.300 -0.497 0.000 1.119 256 M CB -0.015 32.175 32.600 -0.684 0.000 1.377 256 M HN 0.290 nan 8.290 nan 0.000 0.415 257 A N 0.008 122.739 122.820 -0.148 0.000 1.877 257 A HA -0.225 4.096 4.320 0.002 0.000 0.216 257 A C 1.836 179.354 177.584 -0.110 0.000 1.186 257 A CA 2.094 54.069 52.037 -0.103 0.000 0.620 257 A CB -0.855 18.086 19.000 -0.099 0.000 0.822 257 A HN 0.605 nan 8.150 nan 0.000 0.443 258 E N 0.453 120.582 120.200 -0.118 0.000 2.058 258 E HA -0.217 4.134 4.350 0.002 0.000 0.194 258 E C 1.487 177.950 176.600 -0.229 0.000 0.997 258 E CA 1.838 58.153 56.400 -0.141 0.000 0.801 258 E CB -0.253 29.382 29.700 -0.109 0.000 0.746 258 E HN 0.541 nan 8.360 nan 0.000 0.450 259 D N -0.032 120.243 120.400 -0.209 0.000 2.088 259 D HA -0.174 4.467 4.640 0.002 0.000 0.191 259 D C 2.113 177.948 176.300 -0.775 0.000 0.992 259 D CA 1.325 55.041 54.000 -0.472 0.000 0.831 259 D CB -0.462 40.374 40.800 0.060 0.000 0.973 259 D HN 0.233 nan 8.370 nan 0.000 0.447 260 L N 0.552 121.613 121.223 -0.270 0.000 2.079 260 L HA -0.167 4.174 4.340 0.002 0.000 0.210 260 L C 2.595 179.386 176.870 -0.130 0.000 1.081 260 L CA 0.711 55.495 54.840 -0.094 0.000 0.752 260 L CB -0.338 41.774 42.059 0.088 0.000 0.896 260 L HN 0.078 nan 8.230 nan 0.000 0.433 261 I N -0.729 119.742 120.570 -0.165 0.000 2.226 261 I HA -0.303 3.868 4.170 0.002 0.000 0.245 261 I C 2.477 178.470 176.117 -0.207 0.000 1.100 261 I CA 1.046 62.264 61.300 -0.137 0.000 1.374 261 I CB -0.117 37.810 38.000 -0.121 0.000 1.057 261 I HN 0.230 nan 8.210 nan 0.000 0.413 262 L N 0.059 121.059 121.223 -0.372 0.000 2.027 262 L HA -0.213 4.128 4.340 0.002 0.000 0.206 262 L C 2.294 178.818 176.870 -0.576 0.000 1.074 262 L CA 1.889 56.386 54.840 -0.572 0.000 0.745 262 L CB -0.747 40.844 42.059 -0.781 0.000 0.898 262 L HN 0.150 nan 8.230 nan 0.000 0.433 263 Y N -0.820 119.246 120.300 -0.390 0.000 2.483 263 Y HA -0.142 4.409 4.550 0.001 0.000 0.291 263 Y C 2.476 178.327 175.900 -0.081 0.000 1.143 263 Y CA 0.350 58.337 58.100 -0.190 0.000 1.289 263 Y CB -1.648 36.852 38.460 0.066 0.000 0.983 263 Y HN 0.480 nan 8.280 nan 0.000 0.556 264 C N -0.858 118.477 119.300 0.058 0.000 2.589 264 C HA 0.419 4.879 4.460 0.002 0.000 0.307 264 C C 1.044 176.058 174.990 0.040 0.000 1.328 264 C CA -0.376 58.684 59.018 0.070 0.000 1.742 264 C CB -2.097 25.682 27.740 0.064 0.000 2.037 264 C HN 0.366 nan 8.230 nan 0.000 0.592 265 T N -2.059 112.507 114.554 0.020 0.000 2.913 265 T HA 0.324 4.675 4.350 0.002 0.000 0.287 265 T C 1.054 175.794 174.700 0.066 0.000 1.008 265 T CA -0.307 61.817 62.100 0.041 0.000 1.067 265 T CB 1.181 70.085 68.868 0.061 0.000 0.996 265 T HN 0.163 nan 8.240 nan 0.000 0.513 266 K N 1.325 121.752 120.400 0.044 0.000 2.074 266 K HA -0.147 4.174 4.320 0.002 0.000 0.209 266 K C 2.079 178.688 176.600 0.015 0.000 1.048 266 K CA 1.597 57.897 56.287 0.021 0.000 0.926 266 K CB -0.509 31.997 32.500 0.010 0.000 0.713 266 K HN 0.729 nan 8.250 nan 0.000 0.444 267 E N -0.298 119.935 120.200 0.054 0.000 2.097 267 E HA -0.160 4.191 4.350 0.002 0.000 0.196 267 E C 1.881 178.413 176.600 -0.113 0.000 1.000 267 E CA 1.504 57.913 56.400 0.014 0.000 0.804 267 E CB -0.240 29.525 29.700 0.109 0.000 0.740 267 E HN 0.268 nan 8.360 nan 0.000 0.454 268 F N -0.419 119.371 119.950 -0.267 0.000 2.315 268 F HA 0.182 4.710 4.527 0.002 0.000 0.284 268 F C 1.083 176.453 175.800 -0.716 0.000 1.049 268 F CA 0.642 58.253 58.000 -0.649 0.000 1.323 268 F CB -0.340 38.249 39.000 -0.685 0.000 1.113 268 F HN -0.314 nan 8.300 nan 0.000 0.544 269 S N 0.481 116.112 115.700 -0.114 0.000 3.614 269 S HA -0.210 4.260 4.470 0.002 0.000 0.360 269 S C 0.565 175.301 174.600 0.227 0.000 1.023 269 S CA 0.392 58.612 58.200 0.032 0.000 1.114 269 S CB -1.961 61.234 63.200 -0.009 0.000 0.907 269 S HN 0.222 nan 8.310 nan 0.000 0.470 270 F N -0.375 119.701 119.950 0.209 0.000 2.446 270 F HA 0.326 4.854 4.527 0.001 0.000 0.292 270 F C 1.272 177.009 175.800 -0.106 0.000 1.096 270 F CA -0.067 57.963 58.000 0.050 0.000 1.438 270 F CB 0.140 39.100 39.000 -0.066 0.000 1.107 270 F HN 0.226 nan 8.300 nan 0.000 0.546 271 V N -0.290 119.715 119.914 0.151 0.000 3.001 271 V HA 0.512 4.633 4.120 0.002 0.000 0.314 271 V C -0.854 175.242 176.094 0.003 0.000 1.099 271 V CA -0.867 61.400 62.300 -0.054 0.000 0.989 271 V CB 2.723 34.580 31.823 0.055 0.000 1.040 271 V HN 0.061 nan 8.190 nan 0.000 0.434 272 Q N 1.628 121.382 119.800 -0.076 0.000 2.309 272 Q HA 0.609 4.950 4.340 0.002 0.000 0.273 272 Q C -2.003 174.015 176.000 0.029 0.000 1.040 272 Q CA -0.611 55.209 55.803 0.027 0.000 0.834 272 Q CB 2.233 31.020 28.738 0.083 0.000 1.345 272 Q HN 0.687 nan 8.270 nan 0.000 0.414 273 L N 2.111 123.376 121.223 0.070 0.000 2.399 273 L HA 0.462 4.803 4.340 0.002 0.000 0.266 273 L C 0.490 177.420 176.870 0.099 0.000 1.114 273 L CA -0.653 54.248 54.840 0.100 0.000 0.804 273 L CB 1.484 43.617 42.059 0.123 0.000 1.146 273 L HN 0.749 nan 8.230 nan 0.000 0.451 274 S N -0.539 115.239 115.700 0.130 0.000 2.579 274 S HA 0.034 4.505 4.470 0.002 0.000 0.275 274 S C 0.507 175.131 174.600 0.039 0.000 1.345 274 S CA -0.701 57.548 58.200 0.081 0.000 1.031 274 S CB 0.959 64.213 63.200 0.091 0.000 0.892 274 S HN 0.589 nan 8.310 nan 0.000 0.529 275 D N 1.749 122.147 120.400 -0.003 0.000 2.221 275 D HA -0.054 4.587 4.640 0.002 0.000 0.204 275 D C 2.092 178.336 176.300 -0.093 0.000 0.982 275 D CA 1.560 55.545 54.000 -0.026 0.000 0.857 275 D CB -0.747 40.038 40.800 -0.025 0.000 0.934 275 D HN 0.741 nan 8.370 nan 0.000 0.475 276 A N -0.236 122.462 122.820 -0.203 0.000 1.978 276 A HA -0.187 4.134 4.320 0.002 0.000 0.220 276 A C 0.977 178.211 177.584 -0.584 0.000 1.170 276 A CA 1.120 52.883 52.037 -0.457 0.000 0.636 276 A CB -0.521 18.054 19.000 -0.710 0.000 0.810 276 A HN 0.306 nan 8.150 nan 0.000 0.448 277 Y N -0.335 119.976 120.300 0.018 0.000 2.660 277 Y HA 0.333 4.884 4.550 0.001 0.000 0.254 277 Y C 0.855 176.764 175.900 0.015 0.000 1.176 277 Y CA -0.268 57.842 58.100 0.017 0.000 1.195 277 Y CB -0.005 38.468 38.460 0.021 0.000 1.190 277 Y HN 0.325 nan 8.280 nan 0.000 0.535 278 S N -1.612 114.146 115.700 0.097 0.000 2.697 278 S HA 0.811 5.282 4.470 0.002 0.000 0.289 278 S C -0.519 174.102 174.600 0.036 0.000 1.149 278 S CA -0.705 57.537 58.200 0.071 0.000 0.850 278 S CB 2.595 65.835 63.200 0.067 0.000 1.151 278 S HN -0.100 nan 8.310 nan 0.000 0.491 279 T N 0.928 115.500 114.554 0.031 0.000 2.937 279 T HA 0.706 5.057 4.350 0.002 0.000 0.297 279 T C 0.196 174.907 174.700 0.018 0.000 0.991 279 T CA -0.434 61.677 62.100 0.019 0.000 0.990 279 T CB 1.185 70.064 68.868 0.018 0.000 0.991 279 T HN 1.023 nan 8.240 nan 0.000 0.440 280 G N 1.128 109.936 108.800 0.014 0.000 2.511 280 G HA2 0.574 4.535 3.960 0.002 0.000 0.316 280 G HA3 0.574 4.535 3.960 0.002 0.000 0.316 280 G C -0.501 174.405 174.900 0.010 0.000 1.210 280 G CA -0.509 44.599 45.100 0.013 0.000 0.969 280 G HN 0.653 nan 8.290 nan 0.000 0.492 281 S N -1.400 114.306 115.700 0.009 0.000 2.508 281 S HA 0.375 4.846 4.470 0.002 0.000 0.284 281 S C 1.686 176.289 174.600 0.006 0.000 1.192 281 S CA 0.130 58.335 58.200 0.007 0.000 1.070 281 S CB 1.206 64.410 63.200 0.007 0.000 1.004 281 S HN 0.836 nan 8.310 nan 0.000 0.493 282 S N 5.284 120.987 115.700 0.005 0.000 2.353 282 S HA -0.083 4.388 4.470 0.002 0.000 0.222 282 S C 1.565 176.167 174.600 0.004 0.000 1.035 282 S CA 1.009 59.211 58.200 0.004 0.000 1.025 282 S CB -0.729 62.473 63.200 0.004 0.000 0.902 282 S HN 0.737 nan 8.310 nan 0.000 0.440 283 L N 0.147 121.372 121.223 0.003 0.000 2.591 283 L HA 0.369 4.710 4.340 0.002 0.000 0.228 283 L C 0.322 177.194 176.870 0.003 0.000 1.133 283 L CA 0.289 55.131 54.840 0.003 0.000 0.880 283 L CB -0.398 41.663 42.059 0.002 0.000 1.033 283 L HN 0.298 nan 8.230 nan 0.000 0.450 284 M N 0.836 120.438 119.600 0.004 0.000 1.996 284 M HA 0.240 4.721 4.480 0.002 0.000 0.268 284 M C -1.807 174.496 176.300 0.006 0.000 0.888 284 M CA -1.279 54.024 55.300 0.004 0.000 0.939 284 M CB 2.210 34.813 32.600 0.005 0.000 1.736 284 M HN -0.274 nan 8.290 nan 0.000 0.407 285 P HA -0.156 nan 4.420 nan 0.000 0.222 285 P C 1.222 178.527 177.300 0.010 0.000 1.147 285 P CA 1.401 64.505 63.100 0.007 0.000 0.790 285 P CB -0.005 31.699 31.700 0.006 0.000 0.780 286 R N 0.979 121.484 120.500 0.008 0.000 2.240 286 R HA 0.045 4.386 4.340 0.002 0.000 0.203 286 R C 1.581 177.890 176.300 0.014 0.000 1.011 286 R CA 0.702 56.807 56.100 0.009 0.000 1.007 286 R CB -1.204 nan 30.300 nan 0.000 0.911 286 R HN 0.224 nan 8.270 nan 0.000 0.468 287 K N 2.217 122.625 120.400 0.013 0.000 2.262 287 K HA 0.096 4.417 4.320 0.002 0.000 0.288 287 K C -0.918 175.693 176.600 0.019 0.000 1.090 287 K CA -0.274 56.022 56.287 0.014 0.000 0.918 287 K CB 0.390 32.897 32.500 0.011 0.000 1.139 287 K HN -0.006 nan 8.250 nan 0.000 0.462 288 K N 3.797 124.212 120.400 0.025 0.000 2.473 288 K HA 0.214 4.535 4.320 0.002 0.000 0.246 288 K C -0.888 175.730 176.600 0.029 0.000 1.011 288 K CA -0.655 55.650 56.287 0.030 0.000 0.984 288 K CB 0.921 33.445 32.500 0.041 0.000 1.250 288 K HN 0.569 nan 8.250 nan 0.000 0.454 289 N N 3.228 121.942 118.700 0.024 0.000 2.497 289 N HA 0.081 4.822 4.740 0.002 0.000 0.268 289 N C -2.227 173.300 175.510 0.029 0.000 1.171 289 N CA -1.194 51.868 53.050 0.021 0.000 0.948 289 N CB 0.727 39.224 38.487 0.016 0.000 1.069 289 N HN 0.087 nan 8.380 nan 0.000 0.460 290 P HA 0.122 nan 4.420 nan 0.000 0.246 290 P C -0.031 177.286 177.300 0.028 0.000 1.686 290 P CA -0.056 63.061 63.100 0.029 0.000 0.867 290 P CB 0.066 31.772 31.700 0.010 0.000 1.733 291 D N 0.428 120.848 120.400 0.034 0.000 2.268 291 D HA -0.287 4.354 4.640 0.002 0.000 0.189 291 D C 2.105 178.426 176.300 0.035 0.000 1.010 291 D CA 2.519 56.538 54.000 0.032 0.000 0.862 291 D CB -0.724 40.100 40.800 0.039 0.000 0.943 291 D HN 0.244 nan 8.370 nan 0.000 0.451 292 S N 0.203 115.941 115.700 0.064 0.000 2.372 292 S HA -0.234 4.237 4.470 0.002 0.000 0.227 292 S C 2.150 176.750 174.600 0.000 0.000 1.044 292 S CA 1.204 59.438 58.200 0.056 0.000 1.050 292 S CB -0.915 62.347 63.200 0.104 0.000 0.901 292 S HN 0.318 nan 8.310 nan 0.000 0.447 293 L N 1.423 122.642 121.223 -0.006 0.000 2.056 293 L HA -0.077 4.264 4.340 0.002 0.000 0.207 293 L C 2.990 179.837 176.870 -0.038 0.000 1.078 293 L CA 1.750 56.570 54.840 -0.033 0.000 0.749 293 L CB -0.723 41.318 42.059 -0.030 0.000 0.901 293 L HN 0.417 nan 8.230 nan 0.000 0.433 294 E N 0.274 120.459 120.200 -0.025 0.000 2.110 294 E HA -0.199 4.152 4.350 0.002 0.000 0.193 294 E C 2.363 178.947 176.600 -0.026 0.000 0.988 294 E CA 0.931 57.315 56.400 -0.028 0.000 0.804 294 E CB -0.149 29.541 29.700 -0.018 0.000 0.745 294 E HN 0.450 nan 8.360 nan 0.000 0.458 295 L N 0.849 122.062 121.223 -0.016 0.000 1.989 295 L HA -0.227 4.114 4.340 0.002 0.000 0.211 295 L C 2.541 179.392 176.870 -0.031 0.000 1.071 295 L CA 1.157 55.988 54.840 -0.015 0.000 0.749 295 L CB -0.448 41.611 42.059 0.000 0.000 0.890 295 L HN 0.168 nan 8.230 nan 0.000 0.431 296 I N -0.505 120.039 120.570 -0.043 0.000 2.151 296 I HA -0.371 3.800 4.170 0.002 0.000 0.243 296 I C 2.850 178.923 176.117 -0.072 0.000 1.080 296 I CA 1.453 62.715 61.300 -0.064 0.000 1.339 296 I CB -0.418 37.534 38.000 -0.080 0.000 1.039 296 I HN 0.280 nan 8.210 nan 0.000 0.409 297 R N 1.072 121.531 120.500 -0.068 0.000 2.105 297 R HA -0.197 4.144 4.340 0.002 0.000 0.239 297 R C 2.505 178.769 176.300 -0.061 0.000 1.135 297 R CA 2.029 58.086 56.100 -0.071 0.000 0.967 297 R CB -0.192 30.068 30.300 -0.066 0.000 0.861 297 R HN 0.500 nan 8.270 nan 0.000 0.442 298 S N 0.013 115.685 115.700 -0.046 0.000 2.423 298 S HA -0.030 4.441 4.470 0.002 0.000 0.231 298 S C 1.555 176.134 174.600 -0.036 0.000 1.014 298 S CA 0.604 58.783 58.200 -0.035 0.000 0.965 298 S CB 0.046 63.232 63.200 -0.023 0.000 0.785 298 S HN 0.184 nan 8.310 nan 0.000 0.495 299 K N 1.604 121.976 120.400 -0.046 0.000 2.439 299 K HA 0.317 4.638 4.320 0.002 0.000 0.197 299 K C 2.147 178.708 176.600 -0.065 0.000 1.041 299 K CA 0.845 57.102 56.287 -0.050 0.000 0.970 299 K CB -0.854 31.613 32.500 -0.056 0.000 0.773 299 K HN 0.528 nan 8.250 nan 0.000 0.479 300 A N 0.771 123.545 122.820 -0.076 0.000 1.930 300 A HA -0.048 4.273 4.320 0.002 0.000 0.217 300 A C 2.366 179.936 177.584 -0.022 0.000 1.175 300 A CA 1.893 53.877 52.037 -0.089 0.000 0.627 300 A CB -0.733 18.199 19.000 -0.114 0.000 0.815 300 A HN 0.343 nan 8.150 nan 0.000 0.443 301 G N -0.666 108.134 108.800 -0.000 0.000 2.408 301 G HA2 -0.139 3.822 3.960 0.002 0.000 0.215 301 G HA3 -0.139 3.822 3.960 0.002 0.000 0.215 301 G C 1.660 176.592 174.900 0.054 0.000 1.156 301 G CA 1.004 46.141 45.100 0.063 0.000 0.793 301 G HN 0.490 nan 8.290 nan 0.000 0.535 302 R N 0.525 121.028 120.500 0.006 0.000 2.082 302 R HA -0.065 4.276 4.340 0.002 0.000 0.234 302 R C 2.625 178.910 176.300 -0.025 0.000 1.136 302 R CA 1.877 57.970 56.100 -0.011 0.000 0.935 302 R CB -1.085 29.204 30.300 -0.018 0.000 0.842 302 R HN 0.190 nan 8.270 nan 0.000 0.430 303 V N 0.630 120.523 119.914 -0.036 0.000 2.261 303 V HA -0.215 3.906 4.120 0.002 0.000 0.246 303 V C 2.139 178.204 176.094 -0.048 0.000 1.047 303 V CA 2.057 64.318 62.300 -0.065 0.000 1.015 303 V CB -0.805 30.944 31.823 -0.123 0.000 0.642 303 V HN 0.368 nan 8.190 nan 0.000 0.446 304 F N 2.185 122.059 119.950 -0.126 0.000 2.154 304 F HA -0.115 4.413 4.527 0.001 0.000 0.301 304 F C 2.129 177.895 175.800 -0.057 0.000 1.087 304 F CA 1.623 59.563 58.000 -0.099 0.000 1.274 304 F CB -0.978 37.965 39.000 -0.094 0.000 1.009 304 F HN 0.130 nan 8.300 nan 0.000 0.485 305 G N 0.698 109.343 108.800 -0.258 0.000 2.442 305 G HA2 -0.247 3.714 3.960 0.002 0.000 0.219 305 G HA3 -0.247 3.714 3.960 0.002 0.000 0.219 305 G C 1.783 176.512 174.900 -0.286 0.000 1.141 305 G CA 0.659 45.571 45.100 -0.313 0.000 0.763 305 G HN 0.220 nan 8.290 nan 0.000 0.554 306 R N 0.173 120.557 120.500 -0.194 0.000 2.081 306 R HA -0.051 4.290 4.340 0.002 0.000 0.235 306 R C 2.603 178.796 176.300 -0.178 0.000 1.131 306 R CA 1.079 57.089 56.100 -0.149 0.000 0.960 306 R CB -1.757 28.487 30.300 -0.093 0.000 0.856 306 R HN 0.459 nan 8.270 nan 0.000 0.436 307 C N 0.980 120.150 119.300 -0.215 0.000 2.413 307 C HA -0.020 4.441 4.460 0.002 0.000 0.276 307 C C 2.875 177.716 174.990 -0.249 0.000 1.236 307 C CA 1.086 59.995 59.018 -0.180 0.000 1.735 307 C CB -1.104 26.562 27.740 -0.123 0.000 2.031 307 C HN 0.564 nan 8.230 nan 0.000 0.474 308 A N 0.344 122.878 122.820 -0.476 0.000 1.908 308 A HA 0.059 4.380 4.320 0.002 0.000 0.218 308 A C 2.483 179.929 177.584 -0.230 0.000 1.181 308 A CA 2.249 54.037 52.037 -0.414 0.000 0.627 308 A CB -1.500 17.126 19.000 -0.624 0.000 0.818 308 A HN 0.747 nan 8.150 nan 0.000 0.445 309 G N -0.423 108.250 108.800 -0.213 0.000 2.418 309 G HA2 -0.119 3.842 3.960 0.002 0.000 0.217 309 G HA3 -0.119 3.842 3.960 0.002 0.000 0.217 309 G C 1.479 176.310 174.900 -0.116 0.000 1.158 309 G CA 1.149 46.165 45.100 -0.140 0.000 0.771 309 G HN 0.487 nan 8.290 nan 0.000 0.545 310 L N -0.180 120.971 121.223 -0.120 0.000 2.093 310 L HA 0.143 4.484 4.340 0.002 0.000 0.208 310 L C 2.476 179.290 176.870 -0.093 0.000 1.085 310 L CA 1.096 55.873 54.840 -0.106 0.000 0.755 310 L CB -0.337 41.659 42.059 -0.105 0.000 0.904 310 L HN 0.097 nan 8.230 nan 0.000 0.435 311 L N -1.044 120.124 121.223 -0.092 0.000 2.093 311 L HA -0.165 4.176 4.340 0.002 0.000 0.208 311 L C 2.486 179.316 176.870 -0.067 0.000 1.085 311 L CA 2.001 56.797 54.840 -0.074 0.000 0.755 311 L CB -0.715 41.303 42.059 -0.069 0.000 0.904 311 L HN 0.394 nan 8.230 nan 0.000 0.435 312 M N -1.830 117.727 119.600 -0.072 0.000 2.319 312 M HA -0.169 4.312 4.480 0.002 0.000 0.265 312 M C 1.854 178.121 176.300 -0.056 0.000 1.068 312 M CA 1.384 56.649 55.300 -0.058 0.000 1.118 312 M CB -0.049 32.516 32.600 -0.058 0.000 1.395 312 M HN 0.174 nan 8.290 nan 0.000 0.435 313 T N 0.929 115.444 114.554 -0.065 0.000 2.857 313 T HA -0.025 4.325 4.350 0.002 0.000 0.266 313 T C 1.627 176.286 174.700 -0.067 0.000 1.048 313 T CA 1.057 63.119 62.100 -0.064 0.000 1.139 313 T CB -0.167 68.657 68.868 -0.074 0.000 0.874 313 T HN 0.376 nan 8.240 nan 0.000 0.455 314 L N 0.357 121.539 121.223 -0.069 0.000 2.240 314 L HA 0.102 4.443 4.340 0.002 0.000 0.211 314 L C 1.489 178.328 176.870 -0.052 0.000 1.106 314 L CA 0.443 55.244 54.840 -0.065 0.000 0.793 314 L CB -0.345 41.675 42.059 -0.064 0.000 0.927 314 L HN 0.079 nan 8.230 nan 0.000 0.446 315 K N 1.384 121.755 120.400 -0.048 0.000 2.472 315 K HA -0.024 4.297 4.320 0.002 0.000 0.280 315 K C 0.985 177.563 176.600 -0.036 0.000 1.028 315 K CA 1.017 57.281 56.287 -0.039 0.000 1.045 315 K CB 0.459 32.937 32.500 -0.036 0.000 0.902 315 K HN 0.295 nan 8.250 nan 0.000 0.478 316 G N 3.565 112.347 108.800 -0.031 0.000 2.196 316 G HA2 -0.283 3.678 3.960 0.002 0.000 0.268 316 G HA3 -0.283 3.678 3.960 0.002 0.000 0.268 316 G C 0.317 175.198 174.900 -0.032 0.000 0.975 316 G CA 0.492 45.575 45.100 -0.028 0.000 0.648 316 G HN 0.567 nan 8.290 nan 0.000 0.538 317 L N 2.337 123.535 121.223 -0.040 0.000 2.453 317 L HA 0.336 4.677 4.340 0.002 0.000 0.272 317 L C -0.642 176.205 176.870 -0.039 0.000 1.182 317 L CA -1.398 53.413 54.840 -0.049 0.000 0.858 317 L CB 0.279 42.297 42.059 -0.068 0.000 1.120 317 L HN 0.124 nan 8.230 nan 0.000 0.474 318 P HA 0.217 nan 4.420 nan 0.000 0.279 318 P C -0.761 176.525 177.300 -0.023 0.000 1.252 318 P CA -0.584 62.501 63.100 -0.025 0.000 0.811 318 P CB 1.222 32.910 31.700 -0.021 0.000 1.035 319 S N 0.080 115.774 115.700 -0.010 0.000 2.585 319 S HA 0.225 4.696 4.470 0.002 0.000 0.273 319 S C 1.110 175.715 174.600 0.009 0.000 1.339 319 S CA -0.138 58.063 58.200 0.001 0.000 1.028 319 S CB 0.554 63.758 63.200 0.006 0.000 0.906 319 S HN 0.524 nan 8.310 nan 0.000 0.528 320 T N 0.738 115.309 114.554 0.030 0.000 3.535 320 T HA 0.133 4.484 4.350 0.002 0.000 0.223 320 T C -0.093 174.644 174.700 0.062 0.000 0.933 320 T CA 0.190 62.319 62.100 0.047 0.000 1.445 320 T CB -0.386 68.521 68.868 0.065 0.000 1.286 320 T HN 0.598 nan 8.240 nan 0.000 0.436 321 Y N 2.726 123.021 120.300 -0.008 0.000 2.309 321 Y HA 0.473 5.024 4.550 0.002 0.000 0.327 321 Y C -0.555 175.340 175.900 -0.009 0.000 1.172 321 Y CA -0.711 57.384 58.100 -0.009 0.000 1.280 321 Y CB 0.331 38.784 38.460 -0.011 0.000 1.234 321 Y HN 0.231 nan 8.280 nan 0.000 0.512 322 N N 3.217 121.318 118.700 -0.998 0.000 2.329 322 N HA 0.220 4.961 4.740 0.002 0.000 0.282 322 N C -0.277 174.730 175.510 -0.838 0.000 1.198 322 N CA -0.947 51.720 53.050 -0.639 0.000 0.790 322 N CB 1.744 40.045 38.487 -0.311 0.000 1.579 322 N HN 0.474 nan 8.380 nan 0.000 0.475 323 K N 0.499 120.688 120.400 -0.352 0.000 2.209 323 K HA -0.068 4.253 4.320 0.002 0.000 0.204 323 K C 0.118 176.611 176.600 -0.178 0.000 1.048 323 K CA 1.531 57.712 56.287 -0.178 0.000 0.940 323 K CB -0.144 32.324 32.500 -0.055 0.000 0.729 323 K HN 0.555 nan 8.250 nan 0.000 0.451 324 D N -0.112 120.176 120.400 -0.188 0.000 2.228 324 D HA -0.176 4.465 4.640 0.002 0.000 0.203 324 D C 1.215 177.429 176.300 -0.143 0.000 0.988 324 D CA 0.749 54.667 54.000 -0.136 0.000 0.864 324 D CB -0.100 40.627 40.800 -0.122 0.000 0.928 324 D HN 0.084 nan 8.370 nan 0.000 0.469 325 L N 0.450 121.549 121.223 -0.207 0.000 2.450 325 L HA -0.095 4.246 4.340 0.002 0.000 0.224 325 L C 2.062 178.892 176.870 -0.066 0.000 1.149 325 L CA 1.225 55.979 54.840 -0.144 0.000 0.816 325 L CB -0.768 41.188 42.059 -0.173 0.000 0.932 325 L HN 0.092 nan 8.230 nan 0.000 0.449 326 Q N -0.778 118.993 119.800 -0.049 0.000 2.437 326 Q HA -0.165 4.176 4.340 0.002 0.000 0.210 326 Q C 1.478 177.451 176.000 -0.043 0.000 0.972 326 Q CA 0.615 56.417 55.803 -0.002 0.000 0.903 326 Q CB 0.233 28.976 28.738 0.010 0.000 0.967 326 Q HN 0.401 nan 8.270 nan 0.000 0.486 327 E N 0.839 120.990 120.200 -0.083 0.000 2.478 327 E HA -0.139 4.212 4.350 0.002 0.000 0.198 327 E C 1.141 177.642 176.600 -0.165 0.000 1.046 327 E CA 0.838 57.169 56.400 -0.115 0.000 0.870 327 E CB 0.125 29.767 29.700 -0.096 0.000 0.818 327 E HN 0.595 nan 8.360 nan 0.000 0.527 328 D N 0.857 121.158 120.400 -0.165 0.000 2.117 328 D HA -0.181 4.459 4.640 0.002 0.000 0.198 328 D C 1.535 177.636 176.300 -0.332 0.000 0.982 328 D CA 0.958 54.826 54.000 -0.221 0.000 0.828 328 D CB -0.330 40.347 40.800 -0.205 0.000 0.967 328 D HN 0.075 nan 8.370 nan 0.000 0.464 329 K N 0.626 120.803 120.400 -0.371 0.000 2.001 329 K HA -0.166 4.155 4.320 0.002 0.000 0.214 329 K C 2.347 178.376 176.600 -0.952 0.000 1.050 329 K CA 1.728 57.598 56.287 -0.695 0.000 0.934 329 K CB -0.226 32.055 32.500 -0.365 0.000 0.718 329 K HN 0.282 nan 8.250 nan 0.000 0.443 330 E N 0.633 120.437 120.200 -0.660 0.000 2.110 330 E HA -0.193 4.158 4.350 0.002 0.000 0.193 330 E C 2.106 178.546 176.600 -0.266 0.000 0.988 330 E CA 0.955 57.081 56.400 -0.458 0.000 0.804 330 E CB -0.174 29.203 29.700 -0.539 0.000 0.745 330 E HN 0.364 nan 8.360 nan 0.000 0.458 331 A N 1.086 123.746 122.820 -0.266 0.000 1.865 331 A HA -0.184 4.137 4.320 0.002 0.000 0.217 331 A C 2.549 180.088 177.584 -0.075 0.000 1.191 331 A CA 1.497 53.447 52.037 -0.146 0.000 0.623 331 A CB -0.848 18.068 19.000 -0.141 0.000 0.826 331 A HN 0.130 nan 8.150 nan 0.000 0.444 332 V N -0.843 118.964 119.914 -0.179 0.000 2.295 332 V HA -0.274 3.847 4.120 0.002 0.000 0.246 332 V C 2.351 178.503 176.094 0.096 0.000 1.049 332 V CA 2.100 64.368 62.300 -0.053 0.000 1.024 332 V CB -1.055 30.593 31.823 -0.291 0.000 0.648 332 V HN 0.626 nan 8.190 nan 0.000 0.447 333 F N 0.434 120.342 119.950 -0.071 0.000 2.046 333 F HA -0.282 4.246 4.527 0.002 0.000 0.297 333 F C 2.688 178.519 175.800 0.053 0.000 1.123 333 F CA 1.926 59.894 58.000 -0.054 0.000 1.199 333 F CB -0.366 38.548 39.000 -0.144 0.000 0.972 333 F HN 0.193 nan 8.300 nan 0.000 0.474 334 E N 0.717 121.047 120.200 0.216 0.000 2.058 334 E HA -0.207 4.144 4.350 0.002 0.000 0.194 334 E C 2.120 178.802 176.600 0.136 0.000 0.997 334 E CA 1.764 58.245 56.400 0.134 0.000 0.801 334 E CB -0.181 29.557 29.700 0.063 0.000 0.746 334 E HN 0.185 nan 8.360 nan 0.000 0.450 335 V N 0.655 120.662 119.914 0.155 0.000 2.427 335 V HA -0.222 3.899 4.120 0.002 0.000 0.248 335 V C 2.433 178.675 176.094 0.248 0.000 1.051 335 V CA 1.811 64.202 62.300 0.151 0.000 1.048 335 V CB -0.384 31.526 31.823 0.145 0.000 0.666 335 V HN 0.269 nan 8.190 nan 0.000 0.456 336 S N -0.186 115.752 115.700 0.397 0.000 2.356 336 S HA -0.215 4.256 4.470 0.002 0.000 0.223 336 S C 1.775 176.534 174.600 0.265 0.000 1.032 336 S CA 1.611 60.076 58.200 0.441 0.000 1.005 336 S CB -0.381 63.140 63.200 0.535 0.000 0.867 336 S HN 0.628 nan 8.310 nan 0.000 0.449 337 D N 1.065 121.591 120.400 0.211 0.000 2.097 337 D HA -0.061 4.580 4.640 0.002 0.000 0.195 337 D C 2.094 178.449 176.300 0.090 0.000 0.989 337 D CA 1.320 55.396 54.000 0.127 0.000 0.827 337 D CB -0.712 40.146 40.800 0.098 0.000 0.966 337 D HN 0.311 nan 8.370 nan 0.000 0.456 338 T N 1.426 116.028 114.554 0.080 0.000 2.665 338 T HA -0.160 4.191 4.350 0.002 0.000 0.268 338 T C 1.952 176.663 174.700 0.017 0.000 1.035 338 T CA 1.067 63.188 62.100 0.035 0.000 1.151 338 T CB -0.082 68.793 68.868 0.012 0.000 0.862 338 T HN 0.063 nan 8.240 nan 0.000 0.438 339 M N 1.394 121.016 119.600 0.036 0.000 2.159 339 M HA 0.006 4.487 4.480 0.002 0.000 0.263 339 M C 2.546 178.873 176.300 0.045 0.000 1.063 339 M CA 1.168 56.476 55.300 0.015 0.000 1.110 339 M CB -1.439 31.201 32.600 0.067 0.000 1.374 339 M HN 0.161 nan 8.290 nan 0.000 0.411 340 S N 0.843 116.587 115.700 0.074 0.000 2.368 340 S HA -0.009 4.462 4.470 0.002 0.000 0.224 340 S C 2.134 176.753 174.600 0.032 0.000 1.029 340 S CA 1.182 59.416 58.200 0.056 0.000 0.988 340 S CB -0.372 62.862 63.200 0.057 0.000 0.838 340 S HN 0.552 nan 8.310 nan 0.000 0.462 341 A N 1.415 124.253 122.820 0.030 0.000 1.858 341 A HA -0.035 4.285 4.320 0.002 0.000 0.216 341 A C 2.360 179.946 177.584 0.003 0.000 1.190 341 A CA 1.548 53.599 52.037 0.023 0.000 0.617 341 A CB -1.102 17.914 19.000 0.026 0.000 0.827 341 A HN 0.311 nan 8.150 nan 0.000 0.443 342 V N 0.191 120.096 119.914 -0.015 0.000 2.332 342 V HA -0.277 3.844 4.120 0.002 0.000 0.248 342 V C 2.587 178.649 176.094 -0.054 0.000 1.055 342 V CA 2.041 64.315 62.300 -0.044 0.000 1.038 342 V CB -0.748 31.033 31.823 -0.069 0.000 0.651 342 V HN 0.549 nan 8.190 nan 0.000 0.450 343 L N -0.833 120.368 121.223 -0.037 0.000 2.056 343 L HA -0.221 4.120 4.340 0.002 0.000 0.207 343 L C 2.678 179.532 176.870 -0.027 0.000 1.078 343 L CA 1.631 56.452 54.840 -0.032 0.000 0.749 343 L CB -0.521 41.535 42.059 -0.004 0.000 0.901 343 L HN 0.370 nan 8.230 nan 0.000 0.433 344 Q N -0.772 119.022 119.800 -0.010 0.000 2.079 344 Q HA -0.159 4.182 4.340 0.002 0.000 0.200 344 Q C 2.347 178.329 176.000 -0.029 0.000 0.974 344 Q CA 1.319 57.122 55.803 0.001 0.000 0.840 344 Q CB -0.139 28.615 28.738 0.026 0.000 0.898 344 Q HN 0.324 nan 8.270 nan 0.000 0.430 345 V N 1.062 120.950 119.914 -0.044 0.000 2.407 345 V HA -0.282 3.839 4.120 0.002 0.000 0.248 345 V C 2.219 178.158 176.094 -0.259 0.000 1.055 345 V CA 1.840 64.066 62.300 -0.124 0.000 1.049 345 V CB -0.876 30.908 31.823 -0.065 0.000 0.662 345 V HN 0.394 nan 8.190 nan 0.000 0.455 346 A N -0.482 122.241 122.820 -0.162 0.000 1.969 346 A HA -0.176 4.145 4.320 0.002 0.000 0.218 346 A C 2.370 179.870 177.584 -0.140 0.000 1.169 346 A CA 2.191 54.133 52.037 -0.158 0.000 0.635 346 A CB -0.761 18.172 19.000 -0.113 0.000 0.810 346 A HN 0.500 nan 8.150 nan 0.000 0.445 347 T N -0.384 114.111 114.554 -0.098 0.000 2.867 347 T HA 0.004 4.355 4.350 0.002 0.000 0.268 347 T C 1.899 176.563 174.700 -0.060 0.000 1.057 347 T CA 1.242 63.312 62.100 -0.050 0.000 1.136 347 T CB -0.365 68.498 68.868 -0.009 0.000 0.874 347 T HN 0.554 nan 8.240 nan 0.000 0.466 348 G N 0.779 109.499 108.800 -0.133 0.000 2.421 348 G HA2 -0.087 3.874 3.960 0.002 0.000 0.217 348 G HA3 -0.087 3.874 3.960 0.002 0.000 0.217 348 G C 1.653 176.402 174.900 -0.252 0.000 1.143 348 G CA 0.414 45.453 45.100 -0.102 0.000 0.784 348 G HN 0.397 nan 8.290 nan 0.000 0.541 349 V N 2.006 121.609 119.914 -0.520 0.000 2.229 349 V HA -0.173 3.948 4.120 0.002 0.000 0.243 349 V C 2.801 178.871 176.094 -0.040 0.000 1.042 349 V CA 2.016 64.122 62.300 -0.324 0.000 1.000 349 V CB -0.513 31.134 31.823 -0.294 0.000 0.637 349 V HN 0.520 nan 8.190 nan 0.000 0.446 350 I N -0.957 119.607 120.570 -0.011 0.000 2.567 350 I HA -0.112 4.059 4.170 0.002 0.000 0.257 350 I C 2.360 178.536 176.117 0.099 0.000 1.184 350 I CA 1.764 63.117 61.300 0.088 0.000 1.451 350 I CB -1.229 36.819 38.000 0.080 0.000 1.089 350 I HN 0.171 nan 8.210 nan 0.000 0.441 351 S N 0.591 116.329 115.700 0.064 0.000 2.387 351 S HA -0.094 4.377 4.470 0.002 0.000 0.226 351 S C 1.906 176.568 174.600 0.103 0.000 1.026 351 S CA 1.607 59.856 58.200 0.082 0.000 0.972 351 S CB -0.613 62.630 63.200 0.072 0.000 0.814 351 S HN 0.766 nan 8.310 nan 0.000 0.477 352 T N 0.125 114.755 114.554 0.127 0.000 3.085 352 T HA 0.402 4.753 4.350 0.002 0.000 0.264 352 T C 0.224 174.994 174.700 0.117 0.000 1.019 352 T CA -0.532 61.649 62.100 0.135 0.000 0.910 352 T CB -0.389 68.596 68.868 0.195 0.000 1.059 352 T HN 0.284 nan 8.240 nan 0.000 0.542 353 L N 0.456 121.746 121.223 0.112 0.000 2.417 353 L HA 0.609 4.950 4.340 0.002 0.000 0.268 353 L C -0.273 176.608 176.870 0.018 0.000 1.158 353 L CA -0.474 54.415 54.840 0.082 0.000 0.819 353 L CB 0.215 42.339 42.059 0.109 0.000 1.112 353 L HN 0.031 nan 8.230 nan 0.000 0.458 354 Q N 3.480 123.246 119.800 -0.056 0.000 2.266 354 Q HA 0.715 5.056 4.340 0.002 0.000 0.261 354 Q C -0.560 175.234 176.000 -0.343 0.000 0.985 354 Q CA -0.727 54.981 55.803 -0.158 0.000 0.873 354 Q CB 2.604 31.256 28.738 -0.143 0.000 1.306 354 Q HN 0.818 nan 8.270 nan 0.000 0.447 355 I N -2.033 118.283 120.570 -0.422 0.000 2.750 355 I HA 0.461 4.632 4.170 0.002 0.000 0.308 355 I C -0.604 175.193 176.117 -0.534 0.000 1.016 355 I CA -1.067 59.878 61.300 -0.591 0.000 1.098 355 I CB 1.754 39.284 38.000 -0.783 0.000 1.279 355 I HN 0.537 nan 8.210 nan 0.000 0.454 356 H N 4.211 123.175 119.070 -0.177 0.000 2.439 356 H HA 0.274 4.831 4.556 0.002 0.000 0.239 356 H C 0.261 175.524 175.328 -0.108 0.000 1.432 356 H CA -0.302 55.694 56.048 -0.088 0.000 1.373 356 H CB 1.078 30.837 29.762 -0.004 0.000 1.463 356 H HN 0.755 nan 8.280 nan 0.000 0.530 357 Q N 0.831 120.590 119.800 -0.068 0.000 2.156 357 Q HA -0.223 4.117 4.340 0.002 0.000 0.211 357 Q C 1.360 177.348 176.000 -0.020 0.000 0.995 357 Q CA 1.777 57.525 55.803 -0.092 0.000 0.877 357 Q CB 0.291 28.984 28.738 -0.076 0.000 0.920 357 Q HN 0.655 nan 8.270 nan 0.000 0.416 358 E N 0.241 120.458 120.200 0.028 0.000 2.031 358 E HA -0.156 4.195 4.350 0.002 0.000 0.193 358 E C 1.879 178.517 176.600 0.064 0.000 0.994 358 E CA 0.904 57.328 56.400 0.040 0.000 0.800 358 E CB -0.096 29.625 29.700 0.035 0.000 0.752 358 E HN 0.380 nan 8.360 nan 0.000 0.447 359 N N 0.687 119.452 118.700 0.110 0.000 2.149 359 N HA -0.158 4.583 4.740 0.002 0.000 0.188 359 N C 1.849 177.510 175.510 0.252 0.000 1.019 359 N CA 1.238 54.401 53.050 0.188 0.000 0.857 359 N CB -0.217 38.419 38.487 0.249 0.000 0.997 359 N HN 0.227 nan 8.380 nan 0.000 0.426 360 M N -0.241 119.419 119.600 0.100 0.000 2.159 360 M HA -0.035 4.446 4.480 0.002 0.000 0.263 360 M C 2.234 178.461 176.300 -0.121 0.000 1.063 360 M CA 1.569 56.734 55.300 -0.225 0.000 1.110 360 M CB -0.506 31.890 32.600 -0.341 0.000 1.374 360 M HN 0.145 nan 8.290 nan 0.000 0.411 361 G N -0.534 108.248 108.800 -0.031 0.000 2.421 361 G HA2 -0.146 3.814 3.960 0.002 0.000 0.217 361 G HA3 -0.146 3.814 3.960 0.002 0.000 0.217 361 G C 1.504 176.411 174.900 0.012 0.000 1.143 361 G CA 0.260 45.360 45.100 0.001 0.000 0.784 361 G HN 0.338 nan 8.290 nan 0.000 0.541 362 Q N 0.388 120.213 119.800 0.042 0.000 2.297 362 Q HA 0.107 4.448 4.340 0.002 0.000 0.204 362 Q C 2.666 178.684 176.000 0.030 0.000 0.962 362 Q CA 0.960 56.793 55.803 0.049 0.000 0.879 362 Q CB -0.198 28.576 28.738 0.060 0.000 0.947 362 Q HN 0.479 nan 8.270 nan 0.000 0.462 363 A N 0.210 123.056 122.820 0.043 0.000 2.206 363 A HA 0.083 4.404 4.320 0.002 0.000 0.211 363 A C 0.966 178.484 177.584 -0.110 0.000 1.158 363 A CA 0.057 52.117 52.037 0.037 0.000 0.761 363 A CB -0.125 19.006 19.000 0.219 0.000 0.801 363 A HN 0.207 nan 8.150 nan 0.000 0.473 364 L N 1.571 122.667 121.223 -0.212 0.000 2.331 364 L HA 0.363 4.704 4.340 0.002 0.000 0.278 364 L C 0.280 176.943 176.870 -0.345 0.000 1.106 364 L CA -0.340 54.218 54.840 -0.470 0.000 0.824 364 L CB 1.296 42.816 42.059 -0.899 0.000 1.142 364 L HN 0.341 nan 8.230 nan 0.000 0.443 365 S N 1.514 117.066 115.700 -0.247 0.000 2.570 365 S HA 0.533 5.004 4.470 0.002 0.000 0.286 365 S C -2.310 172.377 174.600 0.144 0.000 1.099 365 S CA -1.443 56.760 58.200 0.004 0.000 0.913 365 S CB 2.203 65.391 63.200 -0.020 0.000 1.085 365 S HN 0.283 nan 8.310 nan 0.000 0.480 366 P HA -0.143 nan 4.420 nan 0.000 0.216 366 P C 0.717 178.088 177.300 0.118 0.000 1.150 366 P CA 1.729 64.926 63.100 0.162 0.000 0.843 366 P CB -0.307 31.362 31.700 -0.052 0.000 0.787 367 D N -1.468 118.964 120.400 0.054 0.000 2.354 367 D HA -0.173 4.468 4.640 0.002 0.000 0.216 367 D C 1.553 177.895 176.300 0.071 0.000 0.970 367 D CA 1.054 55.080 54.000 0.044 0.000 0.905 367 D CB -0.989 39.818 40.800 0.012 0.000 0.903 367 D HN 0.199 nan 8.370 nan 0.000 0.508 368 M N -0.562 119.092 119.600 0.091 0.000 2.388 368 M HA 0.052 4.533 4.480 0.002 0.000 0.265 368 M C 0.869 177.265 176.300 0.161 0.000 1.088 368 M CA 0.370 55.722 55.300 0.088 0.000 1.134 368 M CB 0.153 32.773 32.600 0.032 0.000 1.384 368 M HN 0.046 nan 8.290 nan 0.000 0.447 369 L N 0.230 121.595 121.223 0.237 0.000 2.478 369 L HA 0.111 4.452 4.340 0.002 0.000 0.223 369 L C 2.605 179.622 176.870 0.245 0.000 1.140 369 L CA 0.895 55.914 54.840 0.300 0.000 0.842 369 L CB -1.433 40.897 42.059 0.450 0.000 0.953 369 L HN 0.198 nan 8.230 nan 0.000 0.452 370 A N -1.017 121.912 122.820 0.181 0.000 1.958 370 A HA -0.335 3.986 4.320 0.002 0.000 0.221 370 A C 2.533 180.152 177.584 0.057 0.000 1.178 370 A CA 2.575 54.684 52.037 0.121 0.000 0.642 370 A CB -0.884 18.153 19.000 0.062 0.000 0.816 370 A HN 0.405 nan 8.150 nan 0.000 0.453 371 T N -1.676 112.899 114.554 0.035 0.000 2.985 371 T HA -0.066 4.285 4.350 0.002 0.000 0.266 371 T C 1.439 176.044 174.700 -0.159 0.000 1.076 371 T CA 1.426 63.475 62.100 -0.085 0.000 1.135 371 T CB -0.465 68.375 68.868 -0.048 0.000 0.890 371 T HN 0.414 nan 8.240 nan 0.000 0.480 372 D N 0.858 121.302 120.400 0.073 0.000 2.178 372 D HA -0.008 4.633 4.640 0.002 0.000 0.202 372 D C 1.932 178.333 176.300 0.168 0.000 0.974 372 D CA 0.446 54.570 54.000 0.207 0.000 0.841 372 D CB -0.346 40.621 40.800 0.278 0.000 0.953 372 D HN 0.294 nan 8.370 nan 0.000 0.478 373 L N 0.723 122.014 121.223 0.114 0.000 2.079 373 L HA -0.115 4.226 4.340 0.002 0.000 0.210 373 L C 2.113 179.091 176.870 0.180 0.000 1.081 373 L CA 1.503 56.427 54.840 0.140 0.000 0.752 373 L CB -0.632 41.535 42.059 0.180 0.000 0.896 373 L HN -0.023 nan 8.230 nan 0.000 0.433 374 A N -1.812 121.051 122.820 0.072 0.000 1.930 374 A HA -0.210 4.111 4.320 0.002 0.000 0.217 374 A C 2.197 179.875 177.584 0.156 0.000 1.175 374 A CA 1.513 53.581 52.037 0.052 0.000 0.627 374 A CB -0.969 18.011 19.000 -0.035 0.000 0.815 374 A HN 0.547 nan 8.150 nan 0.000 0.443 375 Y N -2.472 117.954 120.300 0.210 0.000 2.293 375 Y HA -0.264 4.287 4.550 0.002 0.000 0.291 375 Y C 2.343 178.307 175.900 0.107 0.000 1.137 375 Y CA 1.245 59.432 58.100 0.146 0.000 1.202 375 Y CB -0.348 38.167 38.460 0.093 0.000 0.990 375 Y HN 0.522 nan 8.280 nan 0.000 0.537 376 Y N 0.860 121.249 120.300 0.149 0.000 2.165 376 Y HA -0.291 4.260 4.550 0.001 0.000 0.286 376 Y C 1.943 177.810 175.900 -0.056 0.000 1.155 376 Y CA 1.608 59.727 58.100 0.031 0.000 1.164 376 Y CB -0.489 37.964 38.460 -0.012 0.000 0.978 376 Y HN 0.014 nan 8.280 nan 0.000 0.513 377 L N -1.260 119.988 121.223 0.042 0.000 2.156 377 L HA -0.157 4.184 4.340 0.002 0.000 0.208 377 L C 2.238 179.068 176.870 -0.067 0.000 1.095 377 L CA 0.684 55.456 54.840 -0.113 0.000 0.770 377 L CB -0.596 41.391 42.059 -0.121 0.000 0.914 377 L HN 0.104 nan 8.230 nan 0.000 0.439 378 V N -0.016 119.927 119.914 0.049 0.000 2.626 378 V HA -0.196 3.925 4.120 0.002 0.000 0.252 378 V C 2.419 178.508 176.094 -0.007 0.000 1.067 378 V CA 1.496 63.843 62.300 0.077 0.000 1.081 378 V CB -0.642 31.311 31.823 0.216 0.000 0.686 378 V HN 0.442 nan 8.190 nan 0.000 0.468 379 R N -0.231 120.230 120.500 -0.064 0.000 2.240 379 R HA 0.036 4.377 4.340 0.002 0.000 0.203 379 R C 1.871 178.077 176.300 -0.158 0.000 1.011 379 R CA 0.288 56.321 56.100 -0.113 0.000 1.007 379 R CB -0.091 30.124 30.300 -0.141 0.000 0.911 379 R HN 0.322 nan 8.270 nan 0.000 0.468 380 K N -0.211 120.070 120.400 -0.199 0.000 2.459 380 K HA 0.080 4.401 4.320 0.002 0.000 0.193 380 K C 1.138 177.666 176.600 -0.119 0.000 1.030 380 K CA 0.834 56.999 56.287 -0.202 0.000 1.026 380 K CB 0.973 33.311 32.500 -0.271 0.000 0.809 380 K HN 0.432 nan 8.250 nan 0.000 0.504 381 G N 1.045 109.795 108.800 -0.084 0.000 2.352 381 G HA2 -0.237 3.724 3.960 0.002 0.000 0.204 381 G HA3 -0.237 3.724 3.960 0.002 0.000 0.204 381 G C 0.239 175.121 174.900 -0.029 0.000 1.004 381 G CA 0.001 45.071 45.100 -0.051 0.000 0.648 381 G HN 0.276 nan 8.290 nan 0.000 0.491 382 M N 2.585 122.164 119.600 -0.036 0.000 2.249 382 M HA 0.368 4.849 4.480 0.002 0.000 0.340 382 M C -1.959 174.356 176.300 0.026 0.000 1.166 382 M CA -0.958 54.332 55.300 -0.017 0.000 1.115 382 M CB 0.608 33.185 32.600 -0.038 0.000 1.606 382 M HN 0.052 nan 8.290 nan 0.000 0.448 383 P HA -0.007 nan 4.420 nan 0.000 0.272 383 P C -0.136 177.235 177.300 0.117 0.000 1.230 383 P CA -0.177 62.967 63.100 0.074 0.000 0.788 383 P CB 0.352 32.079 31.700 0.043 0.000 0.949 384 F N 2.450 122.427 119.950 0.045 0.000 2.102 384 F HA -0.161 4.367 4.527 0.002 0.000 0.298 384 F C 2.134 177.981 175.800 0.078 0.000 1.105 384 F CA 1.651 59.696 58.000 0.075 0.000 1.239 384 F CB -0.425 38.628 39.000 0.088 0.000 0.991 384 F HN 0.176 nan 8.300 nan 0.000 0.474 385 R N -0.126 120.247 120.500 -0.211 0.000 2.113 385 R HA -0.226 4.115 4.340 0.002 0.000 0.244 385 R C 2.242 178.412 176.300 -0.216 0.000 1.142 385 R CA 1.856 57.785 56.100 -0.284 0.000 0.953 385 R CB -0.619 29.620 30.300 -0.101 0.000 0.860 385 R HN 0.412 nan 8.270 nan 0.000 0.438 386 Q N 0.044 119.773 119.800 -0.118 0.000 2.020 386 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 386 Q C 2.230 178.182 176.000 -0.079 0.000 0.982 386 Q CA 1.843 57.603 55.803 -0.071 0.000 0.838 386 Q CB -0.487 28.229 28.738 -0.036 0.000 0.899 386 Q HN 0.375 nan 8.270 nan 0.000 0.423 387 A N 1.186 123.949 122.820 -0.095 0.000 1.902 387 A HA -0.230 4.091 4.320 0.002 0.000 0.217 387 A C 2.075 179.590 177.584 -0.115 0.000 1.181 387 A CA 1.716 53.712 52.037 -0.068 0.000 0.623 387 A CB -0.902 18.104 19.000 0.011 0.000 0.818 387 A HN 0.472 nan 8.150 nan 0.000 0.443 388 H N -0.168 118.647 119.070 -0.425 0.000 2.353 388 H HA -0.141 4.416 4.556 0.001 0.000 0.300 388 H C 2.011 177.220 175.328 -0.198 0.000 1.090 388 H CA 1.979 57.775 56.048 -0.420 0.000 1.327 388 H CB -0.144 29.120 29.762 -0.829 0.000 1.383 388 H HN 0.711 nan 8.280 nan 0.000 0.508 389 E N 0.072 120.268 120.200 -0.007 0.000 2.106 389 E HA -0.110 4.241 4.350 0.002 0.000 0.192 389 E C 2.343 178.936 176.600 -0.012 0.000 0.984 389 E CA 0.864 57.272 56.400 0.013 0.000 0.806 389 E CB -0.056 29.642 29.700 -0.003 0.000 0.750 389 E HN 0.502 nan 8.360 nan 0.000 0.458 390 A N 1.075 123.894 122.820 -0.002 0.000 1.858 390 A HA -0.207 4.114 4.320 0.002 0.000 0.216 390 A C 2.363 179.999 177.584 0.088 0.000 1.190 390 A CA 2.189 54.263 52.037 0.061 0.000 0.617 390 A CB -0.912 18.141 19.000 0.089 0.000 0.827 390 A HN 0.453 nan 8.150 nan 0.000 0.443 391 S N -0.421 115.309 115.700 0.049 0.000 2.442 391 S HA 0.021 4.492 4.470 0.002 0.000 0.236 391 S C 1.870 176.464 174.600 -0.010 0.000 1.007 391 S CA 1.236 59.466 58.200 0.049 0.000 0.965 391 S CB -0.899 62.293 63.200 -0.013 0.000 0.773 391 S HN 0.697 nan 8.310 nan 0.000 0.504 392 G N 1.990 110.755 108.800 -0.059 0.000 2.394 392 G HA2 -0.065 3.896 3.960 0.002 0.000 0.215 392 G HA3 -0.065 3.896 3.960 0.002 0.000 0.215 392 G C 1.515 176.444 174.900 0.049 0.000 1.165 392 G CA 0.494 45.573 45.100 -0.035 0.000 0.784 392 G HN 0.565 nan 8.290 nan 0.000 0.535 393 K N 0.765 121.192 120.400 0.045 0.000 2.057 393 K HA 0.056 4.377 4.320 0.002 0.000 0.207 393 K C 2.929 179.609 176.600 0.132 0.000 1.049 393 K CA 0.988 57.318 56.287 0.073 0.000 0.931 393 K CB -0.260 32.264 32.500 0.040 0.000 0.714 393 K HN 0.241 nan 8.250 nan 0.000 0.440 394 A N 1.320 124.195 122.820 0.092 0.000 1.892 394 A HA -0.171 4.150 4.320 0.002 0.000 0.218 394 A C 2.446 180.068 177.584 0.064 0.000 1.188 394 A CA 1.754 53.828 52.037 0.062 0.000 0.631 394 A CB -0.900 18.131 19.000 0.052 0.000 0.822 394 A HN 0.081 nan 8.150 nan 0.000 0.447 395 V N -1.253 118.704 119.914 0.073 0.000 2.255 395 V HA -0.272 3.849 4.120 0.002 0.000 0.247 395 V C 2.310 178.446 176.094 0.069 0.000 1.051 395 V CA 2.293 64.625 62.300 0.054 0.000 1.018 395 V CB -0.966 30.887 31.823 0.050 0.000 0.641 395 V HN 0.659 nan 8.190 nan 0.000 0.445 396 F N -0.136 119.803 119.950 -0.019 0.000 2.161 396 F HA -0.235 4.293 4.527 0.001 0.000 0.300 396 F C 2.291 178.077 175.800 -0.022 0.000 1.089 396 F CA 2.200 60.190 58.000 -0.017 0.000 1.282 396 F CB -0.198 38.796 39.000 -0.011 0.000 1.010 396 F HN 0.094 nan 8.300 nan 0.000 0.485 397 M N 0.453 120.140 119.600 0.146 0.000 2.200 397 M HA -0.181 4.300 4.480 0.002 0.000 0.261 397 M C 2.488 178.722 176.300 -0.111 0.000 1.074 397 M CA 2.376 57.696 55.300 0.033 0.000 1.098 397 M CB -0.725 31.914 32.600 0.065 0.000 1.268 397 M HN 0.195 nan 8.290 nan 0.000 0.432 398 A N -0.203 122.565 122.820 -0.086 0.000 2.009 398 A HA -0.293 4.028 4.320 0.002 0.000 0.222 398 A C 1.808 179.304 177.584 -0.147 0.000 1.175 398 A CA 2.422 54.390 52.037 -0.115 0.000 0.651 398 A CB -1.079 17.852 19.000 -0.114 0.000 0.815 398 A HN 0.742 nan 8.150 nan 0.000 0.459 399 E N -0.048 120.040 120.200 -0.186 0.000 2.031 399 E HA -0.156 4.195 4.350 0.002 0.000 0.193 399 E C 2.284 178.734 176.600 -0.250 0.000 0.994 399 E CA 2.432 58.703 56.400 -0.215 0.000 0.800 399 E CB -0.646 28.902 29.700 -0.254 0.000 0.752 399 E HN 0.721 nan 8.360 nan 0.000 0.447 400 T N -1.231 113.103 114.554 -0.366 0.000 2.746 400 T HA -0.134 4.217 4.350 0.002 0.000 0.267 400 T C 1.774 176.370 174.700 -0.173 0.000 1.039 400 T CA 1.428 63.346 62.100 -0.303 0.000 1.142 400 T CB -0.324 68.322 68.868 -0.369 0.000 0.866 400 T HN 0.090 nan 8.240 nan 0.000 0.444 401 K N 1.134 121.444 120.400 -0.149 0.000 2.442 401 K HA 0.180 4.501 4.320 0.002 0.000 0.198 401 K C 1.407 177.948 176.600 -0.098 0.000 1.042 401 K CA 0.397 56.622 56.287 -0.103 0.000 0.958 401 K CB -0.528 31.918 32.500 -0.090 0.000 0.766 401 K HN 0.627 nan 8.250 nan 0.000 0.474 402 G N 1.591 110.323 108.800 -0.113 0.000 2.295 402 G HA2 -0.237 3.724 3.960 0.002 0.000 0.287 402 G HA3 -0.237 3.724 3.960 0.002 0.000 0.287 402 G C -0.000 174.844 174.900 -0.092 0.000 1.055 402 G CA 0.457 45.498 45.100 -0.097 0.000 0.922 402 G HN 0.268 nan 8.290 nan 0.000 0.503 403 V N -4.348 115.503 119.914 -0.105 0.000 3.156 403 V HA 1.003 5.124 4.120 0.002 0.000 0.310 403 V C 0.462 176.478 176.094 -0.129 0.000 1.234 403 V CA -0.688 61.545 62.300 -0.111 0.000 1.065 403 V CB 1.432 33.186 31.823 -0.115 0.000 1.088 403 V HN 1.811 nan 8.190 nan 0.000 0.451 404 A N 0.220 122.947 122.820 -0.154 0.000 2.340 404 A HA 0.637 4.958 4.320 0.002 0.000 0.268 404 A C 0.750 178.175 177.584 -0.265 0.000 1.100 404 A CA -0.042 51.882 52.037 -0.188 0.000 0.803 404 A CB 0.619 19.501 19.000 -0.197 0.000 1.043 404 A HN 1.573 nan 8.150 nan 0.000 0.488 405 L N 1.369 122.431 121.223 -0.270 0.000 2.263 405 L HA -0.177 4.164 4.340 0.002 0.000 0.216 405 L C 1.717 178.126 176.870 -0.769 0.000 1.111 405 L CA 2.372 57.016 54.840 -0.327 0.000 0.773 405 L CB -0.421 41.530 42.059 -0.179 0.000 0.906 405 L HN 0.861 nan 8.230 nan 0.000 0.439 406 N N -1.425 116.649 118.700 -1.043 0.000 2.270 406 N HA -0.065 4.676 4.740 0.002 0.000 0.198 406 N C 0.958 175.895 175.510 -0.954 0.000 1.117 406 N CA 0.206 52.142 53.050 -1.858 0.000 0.845 406 N CB -0.066 37.468 38.487 -1.588 0.000 0.980 406 N HN 0.574 nan 8.380 nan 0.000 0.486 407 Q N 0.247 119.732 119.800 -0.526 0.000 2.194 407 Q HA 0.341 4.682 4.340 0.002 0.000 0.214 407 Q C -0.191 175.699 176.000 -0.183 0.000 0.838 407 Q CA -0.200 55.429 55.803 -0.290 0.000 0.972 407 Q CB 0.977 29.583 28.738 -0.220 0.000 1.131 407 Q HN 0.322 nan 8.270 nan 0.000 0.498 408 L N 1.514 122.633 121.223 -0.174 0.000 2.367 408 L HA 0.193 4.534 4.340 0.002 0.000 0.275 408 L C 0.362 177.207 176.870 -0.041 0.000 1.129 408 L CA -0.244 54.541 54.840 -0.092 0.000 0.839 408 L CB 1.034 43.045 42.059 -0.080 0.000 1.133 408 L HN 0.036 nan 8.230 nan 0.000 0.453 409 S N 2.574 118.248 115.700 -0.043 0.000 2.584 409 S HA 0.060 4.531 4.470 0.002 0.000 0.270 409 S C 1.151 175.733 174.600 -0.030 0.000 1.346 409 S CA -0.584 57.602 58.200 -0.023 0.000 1.018 409 S CB 1.091 64.276 63.200 -0.024 0.000 0.899 409 S HN 0.599 nan 8.310 nan 0.000 0.542 410 L N 1.513 122.727 121.223 -0.014 0.000 2.131 410 L HA -0.209 4.132 4.340 0.002 0.000 0.210 410 L C 2.352 179.210 176.870 -0.021 0.000 1.092 410 L CA 1.462 56.287 54.840 -0.025 0.000 0.759 410 L CB -0.301 41.760 42.059 0.002 0.000 0.903 410 L HN 0.749 nan 8.230 nan 0.000 0.435 411 Q N -0.413 119.380 119.800 -0.011 0.000 2.046 411 Q HA -0.220 4.121 4.340 0.002 0.000 0.200 411 Q C 1.955 177.947 176.000 -0.013 0.000 0.975 411 Q CA 1.713 57.515 55.803 -0.002 0.000 0.836 411 Q CB -0.092 28.646 28.738 -0.001 0.000 0.896 411 Q HN 0.595 nan 8.270 nan 0.000 0.428 412 E N 0.843 121.024 120.200 -0.031 0.000 2.085 412 E HA -0.182 4.168 4.350 0.002 0.000 0.194 412 E C 2.072 178.632 176.600 -0.066 0.000 0.994 412 E CA 0.885 57.262 56.400 -0.039 0.000 0.801 412 E CB -0.160 29.511 29.700 -0.048 0.000 0.743 412 E HN 0.333 nan 8.360 nan 0.000 0.453 413 L N 0.887 122.027 121.223 -0.137 0.000 2.083 413 L HA -0.213 4.128 4.340 0.002 0.000 0.209 413 L C 2.419 179.240 176.870 -0.082 0.000 1.083 413 L CA 1.156 55.813 54.840 -0.304 0.000 0.752 413 L CB -0.360 41.316 42.059 -0.638 0.000 0.899 413 L HN 0.140 nan 8.230 nan 0.000 0.433 414 Q N -0.681 119.133 119.800 0.023 0.000 2.436 414 Q HA -0.129 4.211 4.340 0.002 0.000 0.209 414 Q C 2.009 178.064 176.000 0.091 0.000 0.965 414 Q CA 1.611 57.484 55.803 0.116 0.000 0.910 414 Q CB -0.140 28.653 28.738 0.091 0.000 0.980 414 Q HN 0.610 nan 8.270 nan 0.000 0.491 415 T N -2.115 112.470 114.554 0.052 0.000 3.118 415 T HA 0.051 4.402 4.350 0.002 0.000 0.260 415 T C 1.573 176.311 174.700 0.064 0.000 1.139 415 T CA 0.198 62.327 62.100 0.047 0.000 1.085 415 T CB 0.107 68.993 68.868 0.029 0.000 0.934 415 T HN 0.053 nan 8.240 nan 0.000 0.518 416 I N 0.377 121.005 120.570 0.097 0.000 2.685 416 I HA 0.295 4.466 4.170 0.002 0.000 0.251 416 I C 1.120 177.341 176.117 0.173 0.000 1.102 416 I CA 0.350 61.730 61.300 0.134 0.000 1.442 416 I CB -0.410 37.696 38.000 0.176 0.000 1.194 416 I HN 0.365 nan 8.210 nan 0.000 0.448 417 S N -0.242 115.614 115.700 0.260 0.000 2.533 417 S HA 0.440 4.911 4.470 0.002 0.000 0.271 417 S C -2.366 172.349 174.600 0.193 0.000 1.143 417 S CA -0.800 57.514 58.200 0.190 0.000 0.891 417 S CB 2.025 65.302 63.200 0.128 0.000 1.105 417 S HN -0.217 nan 8.310 nan 0.000 0.468 418 P HA 0.083 nan 4.420 nan 0.000 0.233 418 P C 1.259 178.607 177.300 0.080 0.000 1.167 418 P CA 0.184 63.337 63.100 0.089 0.000 0.770 418 P CB 0.180 31.910 31.700 0.050 0.000 0.837 419 L N -2.104 119.138 121.223 0.031 0.000 2.217 419 L HA -0.015 4.325 4.340 0.002 0.000 0.211 419 L C 0.777 177.678 176.870 0.052 0.000 1.107 419 L CA 0.895 55.722 54.840 -0.022 0.000 0.783 419 L CB -1.453 40.528 42.059 -0.129 0.000 0.919 419 L HN 0.000 nan 8.230 nan 0.000 0.442 420 F N 0.558 120.594 119.950 0.142 0.000 2.538 420 F HA -0.001 4.527 4.527 0.001 0.000 0.382 420 F C 1.324 177.188 175.800 0.106 0.000 1.069 420 F CA 0.447 58.536 58.000 0.150 0.000 1.138 420 F CB 0.110 39.129 39.000 0.031 0.000 1.068 420 F HN -0.114 nan 8.300 nan 0.000 0.556 421 S N 2.329 118.235 115.700 0.343 0.000 2.623 421 S HA 0.586 5.057 4.470 0.002 0.000 0.287 421 S C 1.534 176.216 174.600 0.137 0.000 1.123 421 S CA -0.084 58.238 58.200 0.204 0.000 1.016 421 S CB 0.950 64.256 63.200 0.177 0.000 1.233 421 S HN 0.694 nan 8.310 nan 0.000 0.512 422 G N 0.560 109.412 108.800 0.088 0.000 2.511 422 G HA2 -0.062 3.899 3.960 0.002 0.000 0.217 422 G HA3 -0.062 3.899 3.960 0.002 0.000 0.217 422 G C 0.870 175.777 174.900 0.013 0.000 1.133 422 G CA 0.802 45.926 45.100 0.040 0.000 0.792 422 G HN 0.829 nan 8.290 nan 0.000 0.539 423 D N 0.838 121.270 120.400 0.053 0.000 2.371 423 D HA -0.054 4.587 4.640 0.002 0.000 0.221 423 D C 2.189 178.439 176.300 -0.084 0.000 0.986 423 D CA 0.249 54.265 54.000 0.028 0.000 0.899 423 D CB -0.415 40.447 40.800 0.104 0.000 0.902 423 D HN 0.150 nan 8.370 nan 0.000 0.530 424 V N 2.123 121.917 119.914 -0.201 0.000 2.660 424 V HA -0.253 3.868 4.120 0.002 0.000 0.257 424 V C 2.320 177.984 176.094 -0.716 0.000 1.088 424 V CA 1.494 63.418 62.300 -0.627 0.000 1.106 424 V CB -0.770 30.715 31.823 -0.564 0.000 0.686 424 V HN 0.443 nan 8.190 nan 0.000 0.481 425 I N -2.742 117.566 120.570 -0.438 0.000 2.916 425 I HA -0.162 4.009 4.170 0.002 0.000 0.267 425 I C 2.286 178.149 176.117 -0.422 0.000 1.263 425 I CA 1.578 62.637 61.300 -0.401 0.000 1.471 425 I CB -1.209 36.742 38.000 -0.081 0.000 1.089 425 I HN 0.251 nan 8.210 nan 0.000 0.468 426 C N 0.569 119.602 119.300 -0.446 0.000 2.446 426 C HA -0.015 4.446 4.460 0.002 0.000 0.279 426 C C 2.865 177.375 174.990 -0.801 0.000 1.366 426 C CA 0.445 59.161 59.018 -0.504 0.000 1.763 426 C CB -0.776 26.687 27.740 -0.462 0.000 1.929 426 C HN 0.523 nan 8.230 nan 0.000 0.509 427 V N -0.519 118.898 119.914 -0.829 0.000 2.515 427 V HA -0.240 3.881 4.120 0.002 0.000 0.250 427 V C 1.897 177.852 176.094 -0.232 0.000 1.058 427 V CA 1.606 63.535 62.300 -0.619 0.000 1.064 427 V CB -0.585 30.761 31.823 -0.795 0.000 0.675 427 V HN 0.767 nan 8.190 nan 0.000 0.461 428 W N -0.326 120.869 121.300 -0.174 0.000 2.848 428 W HA 0.022 4.683 4.660 0.001 0.000 0.241 428 W C 0.674 177.012 176.519 -0.301 0.000 1.289 428 W CA -0.541 56.686 57.345 -0.196 0.000 1.396 428 W CB 0.050 29.399 29.460 -0.185 0.000 1.138 428 W HN 0.176 nan 8.180 nan 0.000 0.677 429 D N -0.482 119.909 120.400 -0.015 0.000 2.329 429 D HA 0.045 4.686 4.640 0.002 0.000 0.232 429 D C 0.528 176.868 176.300 0.066 0.000 1.088 429 D CA -0.578 53.388 54.000 -0.057 0.000 0.835 429 D CB 0.579 41.395 40.800 0.028 0.000 1.078 429 D HN 0.108 nan 8.370 nan 0.000 0.495 430 Y N 2.431 122.829 120.300 0.164 0.000 2.315 430 Y HA -0.179 4.372 4.550 0.001 0.000 0.288 430 Y C 2.312 178.302 175.900 0.151 0.000 1.154 430 Y CA 0.162 58.353 58.100 0.152 0.000 1.229 430 Y CB 0.183 38.708 38.460 0.108 0.000 0.980 430 Y HN 0.273 nan 8.280 nan 0.000 0.540 431 R N -0.330 120.327 120.500 0.262 0.000 2.066 431 R HA -0.188 4.153 4.340 0.002 0.000 0.232 431 R C 2.102 178.516 176.300 0.189 0.000 1.131 431 R CA 1.588 57.806 56.100 0.195 0.000 0.955 431 R CB -1.299 29.089 30.300 0.146 0.000 0.851 431 R HN 0.514 nan 8.270 nan 0.000 0.432 432 H N 0.754 119.883 119.070 0.099 0.000 2.421 432 H HA -0.044 4.512 4.556 0.002 0.000 0.298 432 H C 1.904 177.294 175.328 0.103 0.000 1.087 432 H CA 1.787 57.880 56.048 0.077 0.000 1.330 432 H CB 0.181 29.970 29.762 0.045 0.000 1.388 432 H HN 0.096 nan 8.280 nan 0.000 0.526 433 S N 0.172 116.022 115.700 0.250 0.000 2.353 433 S HA -0.144 4.327 4.470 0.002 0.000 0.222 433 S C 2.482 177.213 174.600 0.219 0.000 1.035 433 S CA 2.138 60.487 58.200 0.247 0.000 1.025 433 S CB -0.870 62.546 63.200 0.360 0.000 0.902 433 S HN 0.446 nan 8.310 nan 0.000 0.440 434 V N -0.037 120.013 119.914 0.226 0.000 2.626 434 V HA 0.062 4.183 4.120 0.002 0.000 0.252 434 V C 1.942 178.153 176.094 0.196 0.000 1.067 434 V CA 1.725 64.179 62.300 0.257 0.000 1.081 434 V CB -0.882 31.031 31.823 0.150 0.000 0.686 434 V HN 0.305 nan 8.190 nan 0.000 0.468 435 E N 0.580 120.804 120.200 0.039 0.000 2.516 435 E HA -0.097 4.254 4.350 0.002 0.000 0.199 435 E C 2.145 178.651 176.600 -0.157 0.000 1.069 435 E CA 0.723 57.096 56.400 -0.046 0.000 0.876 435 E CB -0.069 29.587 29.700 -0.073 0.000 0.843 435 E HN 0.797 nan 8.360 nan 0.000 0.530 436 Q N -0.611 119.030 119.800 -0.264 0.000 2.172 436 Q HA -0.086 4.255 4.340 0.002 0.000 0.200 436 Q C 0.193 175.852 176.000 -0.568 0.000 0.964 436 Q CA 0.673 56.178 55.803 -0.497 0.000 0.855 436 Q CB -0.021 28.293 28.738 -0.707 0.000 0.918 436 Q HN 0.357 nan 8.270 nan 0.000 0.444 437 Y N 0.145 120.370 120.300 -0.125 0.000 2.851 437 Y HA 0.184 4.735 4.550 0.001 0.000 0.369 437 Y C 1.418 177.250 175.900 -0.115 0.000 1.226 437 Y CA -0.290 57.737 58.100 -0.122 0.000 1.949 437 Y CB -0.314 38.078 38.460 -0.113 0.000 2.059 437 Y HN 0.058 nan 8.280 nan 0.000 0.420 438 G N 0.427 109.177 108.800 -0.083 0.000 2.623 438 G HA2 0.103 4.064 3.960 0.002 0.000 0.214 438 G HA3 0.103 4.064 3.960 0.002 0.000 0.214 438 G C 0.880 175.720 174.900 -0.099 0.000 1.138 438 G CA 0.235 45.289 45.100 -0.078 0.000 0.794 438 G HN 0.584 nan 8.290 nan 0.000 0.535 439 A N 0.581 123.340 122.820 -0.102 0.000 2.540 439 A HA 0.428 4.749 4.320 0.002 0.000 0.239 439 A C 0.621 178.112 177.584 -0.155 0.000 1.061 439 A CA -0.375 51.582 52.037 -0.133 0.000 0.758 439 A CB 0.030 18.969 19.000 -0.100 0.000 0.991 439 A HN 0.331 nan 8.150 nan 0.000 0.502 440 L N 2.041 123.073 121.223 -0.318 0.000 2.678 440 L HA 0.122 4.463 4.340 0.002 0.000 0.285 440 L C 1.576 178.354 176.870 -0.153 0.000 1.233 440 L CA 1.438 55.955 54.840 -0.539 0.000 0.920 440 L CB -0.406 40.977 42.059 -1.127 0.000 1.176 440 L HN 1.263 nan 8.230 nan 0.000 0.495 441 G N 2.043 110.938 108.800 0.157 0.000 2.195 441 G HA2 -0.183 3.777 3.960 0.002 0.000 0.224 441 G HA3 -0.183 3.777 3.960 0.002 0.000 0.224 441 G C 0.490 175.552 174.900 0.270 0.000 0.990 441 G CA -0.259 45.033 45.100 0.319 0.000 0.639 441 G HN 1.018 nan 8.290 nan 0.000 0.514 442 G N -0.941 107.940 108.800 0.134 0.000 2.580 442 G HA2 0.465 4.426 3.960 0.002 0.000 0.278 442 G HA3 0.465 4.426 3.960 0.002 0.000 0.278 442 G C 0.954 175.714 174.900 -0.234 0.000 1.212 442 G CA 0.983 46.105 45.100 0.036 0.000 0.939 442 G HN 0.674 nan 8.290 nan 0.000 0.513 443 T N -0.373 113.899 114.554 -0.470 0.000 3.160 443 T HA 0.311 4.662 4.350 0.002 0.000 0.257 443 T C 1.316 175.910 174.700 -0.178 0.000 1.147 443 T CA 0.681 62.375 62.100 -0.676 0.000 1.064 443 T CB -0.809 67.718 68.868 -0.568 0.000 0.949 443 T HN 0.799 nan 8.240 nan 0.000 0.526 444 A N 1.063 123.870 122.820 -0.021 0.000 2.462 444 A HA 0.347 4.668 4.320 0.002 0.000 0.243 444 A C 1.587 179.190 177.584 0.032 0.000 1.076 444 A CA -0.300 51.756 52.037 0.031 0.000 0.773 444 A CB 0.042 19.058 19.000 0.026 0.000 1.010 444 A HN 0.567 nan 8.150 nan 0.000 0.493 445 R N 1.376 121.903 120.500 0.046 0.000 2.134 445 R HA -0.229 4.112 4.340 0.002 0.000 0.248 445 R C 2.237 178.579 176.300 0.071 0.000 1.143 445 R CA 2.563 58.700 56.100 0.061 0.000 0.957 445 R CB -0.394 29.941 30.300 0.058 0.000 0.867 445 R HN 0.949 nan 8.270 nan 0.000 0.441 446 S N -0.694 115.041 115.700 0.058 0.000 2.382 446 S HA -0.139 4.332 4.470 0.002 0.000 0.228 446 S C 2.076 176.748 174.600 0.119 0.000 1.027 446 S CA 1.471 59.713 58.200 0.070 0.000 0.991 446 S CB -0.395 62.825 63.200 0.034 0.000 0.823 446 S HN 0.388 nan 8.310 nan 0.000 0.469 447 S N 0.898 116.663 115.700 0.109 0.000 2.383 447 S HA -0.039 4.432 4.470 0.002 0.000 0.227 447 S C 1.826 176.597 174.600 0.285 0.000 1.026 447 S CA 1.193 59.507 58.200 0.189 0.000 0.981 447 S CB -0.644 62.625 63.200 0.115 0.000 0.818 447 S HN 0.430 nan 8.310 nan 0.000 0.472 448 V N 2.175 122.200 119.914 0.186 0.000 2.490 448 V HA -0.118 4.003 4.120 0.002 0.000 0.250 448 V C 2.184 178.362 176.094 0.140 0.000 1.061 448 V CA 1.950 64.355 62.300 0.175 0.000 1.064 448 V CB -0.674 31.231 31.823 0.136 0.000 0.670 448 V HN 0.469 nan 8.190 nan 0.000 0.461 449 D N -1.161 119.324 120.400 0.142 0.000 2.117 449 D HA -0.194 4.447 4.640 0.002 0.000 0.198 449 D C 1.726 178.105 176.300 0.133 0.000 0.982 449 D CA 1.227 55.294 54.000 0.112 0.000 0.828 449 D CB -0.246 40.618 40.800 0.106 0.000 0.967 449 D HN 0.646 nan 8.370 nan 0.000 0.464 450 W N 2.119 123.431 121.300 0.020 0.000 2.338 450 W HA -0.188 4.473 4.660 0.002 0.000 0.304 450 W C 2.255 178.783 176.519 0.016 0.000 1.212 450 W CA 1.607 58.961 57.345 0.015 0.000 1.264 450 W CB -0.324 29.145 29.460 0.015 0.000 1.142 450 W HN -0.016 nan 8.180 nan 0.000 0.512 451 Q N 0.045 119.807 119.800 -0.063 0.000 2.030 451 Q HA -0.236 4.105 4.340 0.002 0.000 0.204 451 Q C 2.268 178.115 176.000 -0.255 0.000 0.986 451 Q CA 2.429 58.062 55.803 -0.284 0.000 0.843 451 Q CB -0.681 28.039 28.738 -0.030 0.000 0.904 451 Q HN 0.396 nan 8.270 nan 0.000 0.420 452 I N 0.503 121.004 120.570 -0.115 0.000 2.194 452 I HA -0.329 3.842 4.170 0.002 0.000 0.246 452 I C 2.479 178.522 176.117 -0.124 0.000 1.093 452 I CA 1.334 62.579 61.300 -0.092 0.000 1.355 452 I CB -0.329 37.652 38.000 -0.031 0.000 1.046 452 I HN 0.177 nan 8.210 nan 0.000 0.413 453 R N 0.103 120.519 120.500 -0.141 0.000 2.066 453 R HA -0.192 4.149 4.340 0.002 0.000 0.232 453 R C 2.364 178.541 176.300 -0.206 0.000 1.131 453 R CA 1.293 57.311 56.100 -0.136 0.000 0.955 453 R CB -0.374 29.869 30.300 -0.096 0.000 0.851 453 R HN 0.272 nan 8.270 nan 0.000 0.432 454 Q N 0.496 120.075 119.800 -0.368 0.000 2.061 454 Q HA -0.133 4.208 4.340 0.002 0.000 0.204 454 Q C 2.075 177.924 176.000 -0.252 0.000 0.984 454 Q CA 1.641 57.200 55.803 -0.407 0.000 0.846 454 Q CB -0.195 28.090 28.738 -0.755 0.000 0.902 454 Q HN 0.115 nan 8.270 nan 0.000 0.421 455 V N -0.031 119.749 119.914 -0.224 0.000 2.427 455 V HA -0.230 3.891 4.120 0.002 0.000 0.248 455 V C 2.227 178.260 176.094 -0.102 0.000 1.051 455 V CA 1.756 63.972 62.300 -0.140 0.000 1.048 455 V CB -0.407 31.344 31.823 -0.120 0.000 0.666 455 V HN 0.211 nan 8.190 nan 0.000 0.456 456 R N 0.669 121.106 120.500 -0.106 0.000 2.096 456 R HA -0.137 4.204 4.340 0.002 0.000 0.240 456 R C 2.305 178.549 176.300 -0.093 0.000 1.139 456 R CA 1.836 57.884 56.100 -0.087 0.000 0.952 456 R CB -1.097 29.156 30.300 -0.078 0.000 0.854 456 R HN 0.531 nan 8.270 nan 0.000 0.436 457 A N 0.091 122.852 122.820 -0.098 0.000 1.898 457 A HA -0.099 4.222 4.320 0.002 0.000 0.216 457 A C 2.195 179.732 177.584 -0.079 0.000 1.181 457 A CA 1.227 53.212 52.037 -0.086 0.000 0.620 457 A CB -0.572 18.378 19.000 -0.083 0.000 0.819 457 A HN 0.263 nan 8.150 nan 0.000 0.442 458 L N -0.647 120.532 121.223 -0.074 0.000 2.012 458 L HA -0.211 4.129 4.340 0.002 0.000 0.210 458 L C 2.596 179.444 176.870 -0.036 0.000 1.073 458 L CA 1.258 56.074 54.840 -0.041 0.000 0.748 458 L CB -0.628 41.415 42.059 -0.028 0.000 0.891 458 L HN 0.378 nan 8.230 nan 0.000 0.431 459 L N -0.610 120.576 121.223 -0.061 0.000 2.042 459 L HA -0.282 4.059 4.340 0.002 0.000 0.210 459 L C 2.746 179.462 176.870 -0.256 0.000 1.076 459 L CA 1.463 56.220 54.840 -0.138 0.000 0.749 459 L CB -0.527 41.448 42.059 -0.140 0.000 0.893 459 L HN 0.396 nan 8.230 nan 0.000 0.432 460 Q N 0.018 119.708 119.800 -0.182 0.000 2.050 460 Q HA -0.222 4.119 4.340 0.002 0.000 0.202 460 Q C 2.278 178.187 176.000 -0.153 0.000 0.980 460 Q CA 1.755 57.450 55.803 -0.181 0.000 0.840 460 Q CB -0.107 28.557 28.738 -0.124 0.000 0.898 460 Q HN 0.506 nan 8.270 nan 0.000 0.424 461 A N 0.432 123.193 122.820 -0.098 0.000 2.019 461 A HA -0.198 4.123 4.320 0.002 0.000 0.219 461 A C 1.828 179.383 177.584 -0.050 0.000 1.164 461 A CA 1.456 53.456 52.037 -0.061 0.000 0.644 461 A CB -0.366 18.615 19.000 -0.032 0.000 0.805 461 A HN 0.539 nan 8.150 nan 0.000 0.449 462 Q N -0.973 118.794 119.800 -0.056 0.000 2.389 462 Q HA -0.077 4.264 4.340 0.002 0.000 0.204 462 Q C 1.829 177.770 176.000 -0.097 0.000 0.944 462 Q CA 0.669 56.492 55.803 0.033 0.000 0.908 462 Q CB 0.050 28.935 28.738 0.244 0.000 1.002 462 Q HN 0.648 nan 8.270 nan 0.000 0.493 463 Q N 0.203 119.811 119.800 -0.320 0.000 2.137 463 Q HA 0.075 4.416 4.340 0.002 0.000 0.198 463 Q C 0.997 176.893 176.000 -0.174 0.000 0.960 463 Q CA 0.756 56.315 55.803 -0.408 0.000 0.847 463 Q CB -0.460 28.015 28.738 -0.439 0.000 0.915 463 Q HN 0.290 nan 8.270 nan 0.000 0.448 464 A N 0.000 122.749 122.820 -0.118 0.000 2.254 464 A HA 0.000 4.321 4.320 0.002 0.000 0.244 464 A CA 0.000 51.998 52.037 -0.066 0.000 0.836 464 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 464 A HN 0.000 nan 8.150 nan 0.000 0.486