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 1kwk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGVCYYPEH WPKERWKEDA RRMREAGLSH VRIGEFAWAL LEPEPGRLEW DATA SEQUENCE GWLDEAIATL AAEGLKVVLG TPTATPPKWL VDRYPEILPV DREGRRRRFG DATA SEQUENCE GRRHYCFSSP VYREEARRIV TLLAERYGGL EAVAGFQTDN EYGCHDTVRC DATA SEQUENCE YCPRCQEAFR GWLEARYGTI EALNEAWGTA FWSQRYRSFA EVELPHLTVA DATA SEQUENCE EPNPSHLLDY YRFASDQVRA FNRLQVEILR AHAPGKFVTH NFMGFFTDLD DATA SEQUENCE AFALAQDLDF ASWDSYPLGF TDLMPLPPEE KLRYARTGHP DVAAFHHDLY DATA SEQUENCE RGVGRGRFWV MEQQPGPVNW APHNPSPAPG MVRLWTWEAL AHGAEVVSYF DATA SEQUENCE RWRQAPFAQE QMHAGLHRPD SAPDQGFFEA KRVAEELAAL ALPPVAQAPV DATA SEQUENCE ALVFDYEAAW IYEVQPQGAE WSYLGLVYLF YSALRRLGLD VDVVPPGASL DATA SEQUENCE RGYAFAVVPS LPIVREEALE AFREAEGPVL FGPRSGSKTE TFQIPKELPP DATA SEQUENCE GPLQALLPLK VVRVESLPPG LLEVAEGALG RFPLGLWREW VEAPLKPLLT DATA SEQUENCE FQDGKGALYR EGRYLYLAAW PSPELAGRLL SALAAEAGLK VLSLPEGLRL DATA SEQUENCE RRRGTWVFAF NYGPEAVEAP ASEGARFLLG SRRVGPYDLA VWEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.117 176.300 -0.305 0.000 1.140 1 M CA 0.000 55.154 55.300 -0.244 0.000 0.988 1 M CB 0.000 32.467 32.600 -0.221 0.000 1.302 2 L N 0.716 121.824 121.223 -0.191 0.000 2.333 2 L HA 1.066 5.416 4.340 0.016 0.000 0.269 2 L C 0.285 177.102 176.870 -0.088 0.000 1.010 2 L CA -0.681 54.053 54.840 -0.177 0.000 0.818 2 L CB 2.132 44.153 42.059 -0.063 0.000 1.306 2 L HN 0.921 nan 8.230 nan 0.000 0.430 3 G N 0.332 109.074 108.800 -0.097 0.000 2.975 3 G HA2 0.702 4.672 3.960 0.016 0.000 0.291 3 G HA3 0.702 4.672 3.960 0.016 0.000 0.291 3 G C -1.910 173.055 174.900 0.109 0.000 1.334 3 G CA -0.542 44.565 45.100 0.011 0.000 0.843 3 G HN 0.454 nan 8.290 nan 0.000 0.548 4 V N -1.754 118.236 119.914 0.126 0.000 3.167 4 V HA 0.501 4.631 4.120 0.016 0.000 0.293 4 V C -1.189 175.001 176.094 0.160 0.000 1.379 4 V CA -0.805 61.629 62.300 0.223 0.000 1.019 4 V CB 1.578 33.602 31.823 0.335 0.000 1.115 4 V HN 1.053 nan 8.190 nan 0.000 0.442 5 C N 5.517 124.944 119.300 0.211 0.000 2.325 5 C HA 0.671 5.141 4.460 0.016 0.000 0.347 5 C C -0.575 174.468 174.990 0.088 0.000 1.263 5 C CA -0.511 58.585 59.018 0.129 0.000 1.806 5 C CB -0.172 27.761 27.740 0.322 0.000 2.405 5 C HN 0.754 nan 8.230 nan 0.000 0.537 6 Y N 1.995 122.095 120.300 -0.333 0.000 2.485 6 Y HA 0.587 5.147 4.550 0.017 0.000 0.345 6 Y C -1.132 174.357 175.900 -0.686 0.000 0.998 6 Y CA -1.548 56.373 58.100 -0.298 0.000 1.059 6 Y CB 0.945 39.246 38.460 -0.266 0.000 1.234 6 Y HN 0.707 nan 8.280 nan 0.000 0.461 7 Y N 7.018 127.069 120.300 -0.415 0.000 2.787 7 Y HA 0.346 4.906 4.550 0.016 0.000 0.352 7 Y C -2.000 173.486 175.900 -0.689 0.000 1.027 7 Y CA -2.347 55.417 58.100 -0.559 0.000 1.219 7 Y CB 1.019 39.060 38.460 -0.698 0.000 1.110 7 Y HN 0.512 nan 8.280 nan 0.000 0.614 8 P HA -0.258 nan 4.420 nan 0.000 0.216 8 P C 1.452 178.795 177.300 0.072 0.000 1.153 8 P CA 1.767 64.465 63.100 -0.670 0.000 0.858 8 P CB 0.344 31.434 31.700 -1.017 0.000 0.789 9 E N -0.707 119.455 120.200 -0.063 0.000 2.510 9 E HA -0.213 4.147 4.350 0.016 0.000 0.202 9 E C 0.934 177.571 176.600 0.062 0.000 1.072 9 E CA 1.235 57.568 56.400 -0.113 0.000 0.883 9 E CB -1.143 28.311 29.700 -0.412 0.000 0.818 9 E HN 0.525 nan 8.360 nan 0.000 0.548 10 H N -1.685 117.291 119.070 -0.156 0.000 2.648 10 H HA 0.188 4.754 4.556 0.016 0.000 0.265 10 H C -0.286 174.704 175.328 -0.564 0.000 0.961 10 H CA -0.363 55.445 56.048 -0.399 0.000 1.185 10 H CB 0.324 29.657 29.762 -0.715 0.000 1.449 10 H HN 0.092 nan 8.280 nan 0.000 0.523 11 W N 0.863 122.413 121.300 0.416 0.000 2.882 11 W HA 0.380 5.051 4.660 0.017 0.000 0.345 11 W C -2.565 174.136 176.519 0.303 0.000 1.125 11 W CA -2.724 54.842 57.345 0.369 0.000 1.167 11 W CB 0.110 29.815 29.460 0.409 0.000 1.431 11 W HN -0.224 nan 8.180 nan 0.000 0.543 12 P HA 0.029 nan 4.420 nan 0.000 0.265 12 P C 0.512 177.742 177.300 -0.118 0.000 1.193 12 P CA 0.095 63.265 63.100 0.116 0.000 0.765 12 P CB 0.749 32.518 31.700 0.114 0.000 0.823 13 K N 1.743 121.835 120.400 -0.514 0.000 2.218 13 K HA -0.224 4.106 4.320 0.016 0.000 0.205 13 K C 1.350 177.567 176.600 -0.638 0.000 1.046 13 K CA 1.549 57.074 56.287 -1.271 0.000 0.933 13 K CB -0.100 31.792 32.500 -1.013 0.000 0.728 13 K HN 0.473 nan 8.250 nan 0.000 0.454 14 E N 0.285 120.337 120.200 -0.247 0.000 2.153 14 E HA -0.160 4.200 4.350 0.016 0.000 0.194 14 E C 1.772 178.393 176.600 0.035 0.000 0.988 14 E CA 0.945 57.301 56.400 -0.073 0.000 0.811 14 E CB 0.015 29.699 29.700 -0.027 0.000 0.746 14 E HN 0.092 nan 8.360 nan 0.000 0.466 15 R N -0.678 119.888 120.500 0.110 0.000 2.193 15 R HA -0.042 4.308 4.340 0.016 0.000 0.213 15 R C 1.168 177.686 176.300 0.363 0.000 1.055 15 R CA 0.655 56.883 56.100 0.214 0.000 0.995 15 R CB -0.172 30.279 30.300 0.252 0.000 0.893 15 R HN 0.197 nan 8.270 nan 0.000 0.459 16 W N 1.104 122.504 121.300 0.167 0.000 2.317 16 W HA -0.192 4.478 4.660 0.016 0.000 0.318 16 W C 1.645 178.195 176.519 0.051 0.000 1.227 16 W CA 1.169 58.620 57.345 0.177 0.000 1.269 16 W CB -0.829 28.749 29.460 0.197 0.000 1.155 16 W HN 0.115 nan 8.180 nan 0.000 0.484 17 K N -0.176 120.390 120.400 0.276 0.000 2.057 17 K HA -0.204 4.126 4.320 0.016 0.000 0.207 17 K C 1.903 178.539 176.600 0.060 0.000 1.049 17 K CA 1.665 58.031 56.287 0.131 0.000 0.931 17 K CB -0.480 32.082 32.500 0.102 0.000 0.714 17 K HN 0.224 nan 8.250 nan 0.000 0.440 18 E N 1.160 121.403 120.200 0.072 0.000 2.077 18 E HA -0.208 4.152 4.350 0.016 0.000 0.193 18 E C 1.349 177.951 176.600 0.004 0.000 0.989 18 E CA 1.299 57.721 56.400 0.036 0.000 0.800 18 E CB 0.160 29.884 29.700 0.040 0.000 0.746 18 E HN 0.186 nan 8.360 nan 0.000 0.452 19 D N 0.375 120.767 120.400 -0.013 0.000 2.084 19 D HA -0.158 4.492 4.640 0.016 0.000 0.194 19 D C 1.896 177.919 176.300 -0.462 0.000 0.990 19 D CA 1.470 55.352 54.000 -0.196 0.000 0.826 19 D CB -0.412 40.192 40.800 -0.327 0.000 0.971 19 D HN 0.300 nan 8.370 nan 0.000 0.453 20 A N 1.126 123.725 122.820 -0.368 0.000 1.908 20 A HA -0.236 4.094 4.320 0.016 0.000 0.218 20 A C 2.193 179.640 177.584 -0.228 0.000 1.181 20 A CA 1.900 53.725 52.037 -0.352 0.000 0.627 20 A CB -0.579 18.304 19.000 -0.195 0.000 0.818 20 A HN 0.167 nan 8.150 nan 0.000 0.445 21 R N -0.429 120.000 120.500 -0.118 0.000 2.073 21 R HA -0.109 4.241 4.340 0.016 0.000 0.234 21 R C 2.306 178.598 176.300 -0.012 0.000 1.134 21 R CA 1.600 57.670 56.100 -0.049 0.000 0.952 21 R CB -0.241 30.054 30.300 -0.009 0.000 0.850 21 R HN 0.526 nan 8.270 nan 0.000 0.433 22 R N -0.254 120.263 120.500 0.028 0.000 2.148 22 R HA -0.016 4.334 4.340 0.016 0.000 0.227 22 R C 2.321 178.774 176.300 0.254 0.000 1.103 22 R CA 1.494 57.709 56.100 0.191 0.000 0.983 22 R CB -0.164 30.318 30.300 0.303 0.000 0.874 22 R HN 0.303 nan 8.270 nan 0.000 0.451 23 M N -0.148 119.400 119.600 -0.087 0.000 2.175 23 M HA -0.133 4.357 4.480 0.016 0.000 0.264 23 M C 2.451 178.718 176.300 -0.056 0.000 1.063 23 M CA 1.522 56.693 55.300 -0.214 0.000 1.119 23 M CB -0.167 32.052 32.600 -0.635 0.000 1.377 23 M HN 0.066 nan 8.290 nan 0.000 0.415 24 R N 0.835 121.293 120.500 -0.070 0.000 2.073 24 R HA -0.121 4.228 4.340 0.016 0.000 0.229 24 R C 1.729 178.037 176.300 0.013 0.000 1.120 24 R CA 1.502 57.576 56.100 -0.043 0.000 0.967 24 R CB -0.062 30.206 30.300 -0.054 0.000 0.862 24 R HN 0.426 nan 8.270 nan 0.000 0.436 25 E N 0.219 120.454 120.200 0.059 0.000 2.106 25 E HA -0.151 4.209 4.350 0.016 0.000 0.192 25 E C 1.903 178.564 176.600 0.101 0.000 0.984 25 E CA 1.063 57.516 56.400 0.089 0.000 0.806 25 E CB -0.097 29.681 29.700 0.130 0.000 0.750 25 E HN 0.457 nan 8.360 nan 0.000 0.458 26 A N 0.559 123.467 122.820 0.148 0.000 2.070 26 A HA 0.039 4.369 4.320 0.016 0.000 0.220 26 A C 1.915 179.482 177.584 -0.028 0.000 1.159 26 A CA 1.348 53.410 52.037 0.042 0.000 0.656 26 A CB -0.414 18.667 19.000 0.135 0.000 0.800 26 A HN 0.397 nan 8.150 nan 0.000 0.453 27 G N -2.048 106.754 108.800 0.004 0.000 2.138 27 G HA2 -0.144 3.826 3.960 0.016 0.000 0.193 27 G HA3 -0.144 3.826 3.960 0.016 0.000 0.193 27 G C -0.006 174.879 174.900 -0.024 0.000 0.998 27 G CA 0.017 45.106 45.100 -0.018 0.000 0.668 27 G HN 0.404 nan 8.290 nan 0.000 0.516 28 L N 0.905 122.121 121.223 -0.012 0.000 2.418 28 L HA 0.572 4.921 4.340 0.016 0.000 0.265 28 L C 1.642 178.467 176.870 -0.074 0.000 1.143 28 L CA 0.302 55.131 54.840 -0.019 0.000 0.809 28 L CB 1.458 43.520 42.059 0.005 0.000 1.124 28 L HN 0.350 nan 8.230 nan 0.000 0.456 29 S N -1.475 114.174 115.700 -0.085 0.000 2.628 29 S HA 0.210 4.690 4.470 0.016 0.000 0.246 29 S C 0.385 174.751 174.600 -0.391 0.000 1.062 29 S CA -0.417 57.657 58.200 -0.210 0.000 1.028 29 S CB 0.289 63.368 63.200 -0.203 0.000 0.985 29 S HN 0.603 nan 8.310 nan 0.000 0.551 30 H N 0.378 119.392 119.070 -0.094 0.000 2.690 30 H HA 0.747 5.312 4.556 0.016 0.000 0.368 30 H C -1.499 173.798 175.328 -0.052 0.000 1.150 30 H CA -0.629 55.391 56.048 -0.046 0.000 1.174 30 H CB 2.311 32.062 29.762 -0.019 0.000 1.684 30 H HN 0.048 nan 8.280 nan 0.000 0.538 31 V N 2.460 122.412 119.914 0.064 0.000 2.668 31 V HA 0.290 4.420 4.120 0.016 0.000 0.304 31 V C -0.086 176.010 176.094 0.004 0.000 1.071 31 V CA -0.869 61.424 62.300 -0.012 0.000 0.894 31 V CB 2.650 34.393 31.823 -0.133 0.000 1.008 31 V HN 0.637 nan 8.190 nan 0.000 0.425 32 R N 5.116 125.620 120.500 0.006 0.000 2.407 32 R HA 0.867 5.216 4.340 0.016 0.000 0.303 32 R C -0.997 175.212 176.300 -0.152 0.000 0.981 32 R CA -0.364 55.714 56.100 -0.037 0.000 0.905 32 R CB 1.462 31.775 30.300 0.022 0.000 1.099 32 R HN 0.894 nan 8.270 nan 0.000 0.459 33 I N -0.667 119.789 120.570 -0.191 0.000 3.181 33 I HA 0.595 4.775 4.170 0.016 0.000 0.311 33 I C 0.324 176.334 176.117 -0.179 0.000 1.287 33 I CA -0.384 60.760 61.300 -0.261 0.000 0.958 33 I CB 2.192 40.045 38.000 -0.246 0.000 1.294 33 I HN 0.740 nan 8.210 nan 0.000 0.467 34 G N 2.011 110.752 108.800 -0.097 0.000 2.179 34 G HA2 -0.290 3.680 3.960 0.016 0.000 0.260 34 G HA3 -0.290 3.680 3.960 0.016 0.000 0.260 34 G C 0.830 175.753 174.900 0.039 0.000 0.977 34 G CA 0.615 45.727 45.100 0.021 0.000 0.641 34 G HN 1.088 nan 8.290 nan 0.000 0.533 35 E N 0.110 120.262 120.200 -0.079 0.000 2.268 35 E HA 0.027 4.387 4.350 0.016 0.000 0.195 35 E C 1.130 177.641 176.600 -0.149 0.000 0.995 35 E CA 0.916 57.194 56.400 -0.205 0.000 0.836 35 E CB -0.267 29.154 29.700 -0.465 0.000 0.763 35 E HN 0.540 nan 8.360 nan 0.000 0.491 36 F N 0.359 120.479 119.950 0.284 0.000 2.791 36 F HA 0.481 5.018 4.527 0.016 0.000 0.308 36 F C 1.187 177.170 175.800 0.305 0.000 1.138 36 F CA -0.406 57.765 58.000 0.285 0.000 1.294 36 F CB 0.809 39.969 39.000 0.266 0.000 0.975 36 F HN 0.061 nan 8.300 nan 0.000 0.512 37 A N -0.949 122.146 122.820 0.459 0.000 2.460 37 A HA 0.081 4.411 4.320 0.016 0.000 0.258 37 A C 1.640 179.529 177.584 0.509 0.000 1.300 37 A CA -0.334 51.989 52.037 0.477 0.000 0.913 37 A CB -0.608 18.770 19.000 0.630 0.000 1.031 37 A HN 0.495 nan 8.150 nan 0.000 0.512 38 W N 1.190 122.652 121.300 0.270 0.000 2.333 38 W HA -0.243 4.428 4.660 0.019 0.000 0.316 38 W C 2.079 178.732 176.519 0.224 0.000 1.215 38 W CA 1.880 59.357 57.345 0.219 0.000 1.278 38 W CB -0.788 28.779 29.460 0.178 0.000 1.154 38 W HN 0.443 nan 8.180 nan 0.000 0.486 39 A N -0.226 122.862 122.820 0.446 0.000 2.125 39 A HA -0.143 4.187 4.320 0.016 0.000 0.219 39 A C 1.882 179.639 177.584 0.288 0.000 1.156 39 A CA 1.514 53.735 52.037 0.306 0.000 0.671 39 A CB -0.608 18.522 19.000 0.217 0.000 0.794 39 A HN 0.232 nan 8.150 nan 0.000 0.459 40 L N -1.294 120.107 121.223 0.298 0.000 2.354 40 L HA 0.155 4.505 4.340 0.016 0.000 0.212 40 L C 2.157 179.291 176.870 0.439 0.000 1.091 40 L CA 0.891 55.855 54.840 0.206 0.000 0.828 40 L CB -1.156 40.851 42.059 -0.087 0.000 0.973 40 L HN 0.375 nan 8.230 nan 0.000 0.461 41 L N -0.550 120.956 121.223 0.471 0.000 2.341 41 L HA 0.010 4.360 4.340 0.016 0.000 0.214 41 L C 0.866 177.769 176.870 0.055 0.000 1.115 41 L CA 0.613 55.575 54.840 0.204 0.000 0.820 41 L CB 0.205 42.275 42.059 0.020 0.000 0.944 41 L HN 0.247 nan 8.230 nan 0.000 0.452 42 E N 0.192 120.571 120.200 0.297 0.000 3.284 42 E HA 0.124 4.483 4.350 0.016 0.000 0.277 42 E C -2.013 174.827 176.600 0.399 0.000 1.218 42 E CA -1.205 55.388 56.400 0.322 0.000 0.925 42 E CB 1.052 31.082 29.700 0.551 0.000 1.409 42 E HN -0.074 nan 8.360 nan 0.000 0.388 43 P HA -0.085 nan 4.420 nan 0.000 0.220 43 P C -0.170 177.135 177.300 0.007 0.000 1.148 43 P CA 0.894 64.104 63.100 0.185 0.000 0.803 43 P CB 0.456 32.211 31.700 0.092 0.000 0.782 44 E N -0.131 119.972 120.200 -0.162 0.000 2.222 44 E HA 0.375 4.735 4.350 0.016 0.000 0.267 44 E C -2.646 173.540 176.600 -0.691 0.000 0.884 44 E CA -3.072 53.059 56.400 -0.449 0.000 0.764 44 E CB 1.107 30.656 29.700 -0.251 0.000 1.169 44 E HN -0.019 nan 8.360 nan 0.000 0.413 45 P HA 0.021 nan 4.420 nan 0.000 0.256 45 P C 0.707 177.754 177.300 -0.422 0.000 1.189 45 P CA 1.072 63.449 63.100 -1.205 0.000 0.808 45 P CB 0.064 31.127 31.700 -1.062 0.000 0.793 46 G N 3.083 111.781 108.800 -0.170 0.000 2.234 46 G HA2 -0.210 3.760 3.960 0.016 0.000 0.235 46 G HA3 -0.210 3.760 3.960 0.016 0.000 0.235 46 G C 0.263 175.157 174.900 -0.010 0.000 0.997 46 G CA -0.555 44.529 45.100 -0.028 0.000 0.623 46 G HN 0.459 nan 8.290 nan 0.000 0.514 47 R N 1.044 121.509 120.500 -0.058 0.000 2.287 47 R HA 0.427 4.776 4.340 0.016 0.000 0.327 47 R C 0.066 176.352 176.300 -0.023 0.000 1.109 47 R CA -0.434 55.648 56.100 -0.030 0.000 1.013 47 R CB 0.478 30.743 30.300 -0.057 0.000 1.126 47 R HN 0.221 nan 8.270 nan 0.000 0.503 48 L N 2.705 123.914 121.223 -0.024 0.000 2.290 48 L HA 0.307 4.656 4.340 0.016 0.000 0.284 48 L C 0.512 177.218 176.870 -0.274 0.000 1.078 48 L CA 0.189 54.894 54.840 -0.226 0.000 0.815 48 L CB 0.738 42.707 42.059 -0.150 0.000 1.162 48 L HN 0.429 nan 8.230 nan 0.000 0.435 49 E N 3.157 123.138 120.200 -0.366 0.000 2.489 49 E HA 0.139 4.499 4.350 0.016 0.000 0.232 49 E C -0.392 176.112 176.600 -0.159 0.000 0.990 49 E CA -0.119 56.216 56.400 -0.109 0.000 0.768 49 E CB 0.565 30.326 29.700 0.102 0.000 1.270 49 E HN 0.503 nan 8.360 nan 0.000 0.423 50 W N 1.467 122.809 121.300 0.071 0.000 3.256 50 W HA 0.186 4.856 4.660 0.017 0.000 0.269 50 W C 1.851 178.329 176.519 -0.068 0.000 1.310 50 W CA -0.092 57.227 57.345 -0.042 0.000 1.673 50 W CB 0.110 29.565 29.460 -0.008 0.000 1.115 50 W HN 0.578 nan 8.180 nan 0.000 0.686 51 G N 2.696 111.628 108.800 0.221 0.000 2.631 51 G HA2 -0.350 3.620 3.960 0.016 0.000 0.219 51 G HA3 -0.350 3.620 3.960 0.016 0.000 0.219 51 G C 1.295 176.342 174.900 0.246 0.000 1.214 51 G CA 1.653 46.890 45.100 0.229 0.000 0.785 51 G HN 0.473 nan 8.290 nan 0.000 0.596 52 W N 0.499 121.958 121.300 0.265 0.000 2.363 52 W HA 0.044 4.714 4.660 0.016 0.000 0.296 52 W C 1.862 178.588 176.519 0.345 0.000 1.212 52 W CA 0.932 58.512 57.345 0.392 0.000 1.260 52 W CB -1.295 28.416 29.460 0.418 0.000 1.131 52 W HN 0.204 nan 8.180 nan 0.000 0.530 53 L N 2.370 123.069 121.223 -0.874 0.000 2.093 53 L HA -0.128 4.222 4.340 0.016 0.000 0.208 53 L C 2.093 178.795 176.870 -0.280 0.000 1.085 53 L CA 2.177 56.520 54.840 -0.828 0.000 0.755 53 L CB -1.052 40.422 42.059 -0.974 0.000 0.904 53 L HN -0.203 nan 8.230 nan 0.000 0.435 54 D N -0.514 119.873 120.400 -0.022 0.000 2.117 54 D HA -0.229 4.421 4.640 0.016 0.000 0.197 54 D C 1.970 178.321 176.300 0.085 0.000 0.987 54 D CA 1.409 55.472 54.000 0.104 0.000 0.829 54 D CB 0.033 40.935 40.800 0.169 0.000 0.961 54 D HN 0.547 nan 8.370 nan 0.000 0.460 55 E N 0.589 120.892 120.200 0.173 0.000 2.072 55 E HA -0.126 4.233 4.350 0.016 0.000 0.191 55 E C 2.058 178.817 176.600 0.265 0.000 0.985 55 E CA 0.869 57.429 56.400 0.268 0.000 0.801 55 E CB 0.066 30.019 29.700 0.421 0.000 0.750 55 E HN 0.143 nan 8.360 nan 0.000 0.452 56 A N 1.113 124.033 122.820 0.167 0.000 1.877 56 A HA -0.180 4.150 4.320 0.016 0.000 0.216 56 A C 2.146 179.649 177.584 -0.135 0.000 1.186 56 A CA 1.327 53.258 52.037 -0.177 0.000 0.620 56 A CB -0.649 18.001 19.000 -0.584 0.000 0.822 56 A HN 0.303 nan 8.150 nan 0.000 0.443 57 I N -0.304 120.169 120.570 -0.162 0.000 2.226 57 I HA -0.283 3.897 4.170 0.016 0.000 0.245 57 I C 2.972 179.037 176.117 -0.087 0.000 1.100 57 I CA 1.015 62.211 61.300 -0.174 0.000 1.374 57 I CB -0.394 37.456 38.000 -0.250 0.000 1.057 57 I HN 0.375 nan 8.210 nan 0.000 0.413 58 A N 0.539 123.346 122.820 -0.021 0.000 1.877 58 A HA -0.205 4.125 4.320 0.016 0.000 0.216 58 A C 2.392 179.986 177.584 0.016 0.000 1.186 58 A CA 2.479 54.523 52.037 0.012 0.000 0.620 58 A CB -1.121 17.912 19.000 0.055 0.000 0.822 58 A HN 0.375 nan 8.150 nan 0.000 0.443 59 T N 0.535 115.122 114.554 0.055 0.000 2.720 59 T HA -0.105 4.255 4.350 0.016 0.000 0.268 59 T C 1.805 176.495 174.700 -0.016 0.000 1.037 59 T CA 1.581 63.720 62.100 0.066 0.000 1.144 59 T CB -0.385 68.590 68.868 0.179 0.000 0.864 59 T HN 0.368 nan 8.240 nan 0.000 0.444 60 L N 0.637 121.819 121.223 -0.068 0.000 2.072 60 L HA 0.009 4.358 4.340 0.016 0.000 0.205 60 L C 3.072 179.875 176.870 -0.112 0.000 1.079 60 L CA 1.054 55.816 54.840 -0.130 0.000 0.752 60 L CB -0.683 41.276 42.059 -0.167 0.000 0.906 60 L HN 0.221 nan 8.230 nan 0.000 0.436 61 A N 0.271 123.037 122.820 -0.090 0.000 1.940 61 A HA -0.202 4.128 4.320 0.016 0.000 0.219 61 A C 2.520 180.068 177.584 -0.060 0.000 1.176 61 A CA 1.738 53.728 52.037 -0.079 0.000 0.631 61 A CB -0.716 18.246 19.000 -0.064 0.000 0.814 61 A HN 0.402 nan 8.150 nan 0.000 0.446 62 A N -0.715 122.080 122.820 -0.042 0.000 2.024 62 A HA -0.124 4.206 4.320 0.016 0.000 0.220 62 A C 1.722 179.282 177.584 -0.040 0.000 1.164 62 A CA 1.624 53.644 52.037 -0.029 0.000 0.643 62 A CB -0.269 18.726 19.000 -0.008 0.000 0.806 62 A HN 0.420 nan 8.150 nan 0.000 0.451 63 E N -1.197 118.966 120.200 -0.061 0.000 2.479 63 E HA 0.203 4.563 4.350 0.016 0.000 0.193 63 E C 1.076 177.629 176.600 -0.078 0.000 1.049 63 E CA 0.583 56.941 56.400 -0.069 0.000 0.870 63 E CB -0.226 29.417 29.700 -0.095 0.000 0.944 63 E HN 0.764 nan 8.360 nan 0.000 0.492 64 G N 1.462 110.214 108.800 -0.080 0.000 2.160 64 G HA2 -0.280 3.689 3.960 0.016 0.000 0.244 64 G HA3 -0.280 3.689 3.960 0.016 0.000 0.244 64 G C 0.093 174.920 174.900 -0.122 0.000 1.022 64 G CA 0.162 45.211 45.100 -0.087 0.000 0.741 64 G HN 0.207 nan 8.290 nan 0.000 0.508 65 L N 0.294 121.433 121.223 -0.141 0.000 2.307 65 L HA 0.506 4.855 4.340 0.016 0.000 0.282 65 L C 0.339 177.098 176.870 -0.185 0.000 1.051 65 L CA -1.116 53.614 54.840 -0.183 0.000 0.804 65 L CB 1.144 43.087 42.059 -0.194 0.000 1.197 65 L HN -0.116 nan 8.230 nan 0.000 0.431 66 K N 2.933 123.186 120.400 -0.246 0.000 2.258 66 K HA 0.361 4.691 4.320 0.016 0.000 0.284 66 K C -0.571 175.975 176.600 -0.090 0.000 1.051 66 K CA -0.468 55.712 56.287 -0.179 0.000 0.923 66 K CB 1.617 33.973 32.500 -0.241 0.000 1.046 66 K HN 0.218 nan 8.250 nan 0.000 0.474 67 V N 3.192 123.041 119.914 -0.109 0.000 2.465 67 V HA 0.202 4.332 4.120 0.016 0.000 0.279 67 V C 0.075 176.079 176.094 -0.150 0.000 1.045 67 V CA -0.888 61.332 62.300 -0.134 0.000 0.938 67 V CB 1.664 33.357 31.823 -0.215 0.000 0.986 67 V HN 0.378 nan 8.190 nan 0.000 0.467 68 V N 6.796 126.655 119.914 -0.091 0.000 2.334 68 V HA 0.398 4.528 4.120 0.016 0.000 0.281 68 V C -0.074 175.889 176.094 -0.218 0.000 1.016 68 V CA -0.392 61.843 62.300 -0.108 0.000 0.832 68 V CB 1.297 33.214 31.823 0.155 0.000 0.999 68 V HN 0.611 nan 8.190 nan 0.000 0.439 69 L N 4.408 125.377 121.223 -0.424 0.000 2.292 69 L HA 0.704 5.054 4.340 0.016 0.000 0.284 69 L C 0.860 177.654 176.870 -0.125 0.000 1.065 69 L CA -0.123 54.511 54.840 -0.343 0.000 0.806 69 L CB 1.365 43.120 42.059 -0.507 0.000 1.175 69 L HN 0.715 nan 8.230 nan 0.000 0.431 70 G N 0.566 109.328 108.800 -0.063 0.000 2.379 70 G HA2 0.492 4.461 3.960 0.016 0.000 0.327 70 G HA3 0.492 4.461 3.960 0.016 0.000 0.327 70 G C -0.106 174.809 174.900 0.024 0.000 1.145 70 G CA -0.377 44.716 45.100 -0.011 0.000 0.905 70 G HN 0.560 nan 8.290 nan 0.000 0.466 71 T N 0.550 115.131 114.554 0.046 0.000 2.919 71 T HA 0.363 4.722 4.350 0.016 0.000 0.302 71 T C -1.647 173.053 174.700 -0.000 0.000 1.031 71 T CA -1.316 60.788 62.100 0.007 0.000 1.127 71 T CB 1.983 70.830 68.868 -0.034 0.000 0.952 71 T HN 0.318 nan 8.240 nan 0.000 0.540 72 P HA 0.115 nan 4.420 nan 0.000 0.249 72 P C 1.060 178.523 177.300 0.272 0.000 1.544 72 P CA -0.179 62.988 63.100 0.111 0.000 0.932 72 P CB -0.525 31.256 31.700 0.136 0.000 1.524 73 T N -4.026 110.652 114.554 0.206 0.000 3.118 73 T HA 0.098 4.457 4.350 0.016 0.000 0.260 73 T C 1.809 176.809 174.700 0.500 0.000 1.139 73 T CA 0.722 63.055 62.100 0.388 0.000 1.085 73 T CB -0.395 68.632 68.868 0.264 0.000 0.934 73 T HN 0.023 nan 8.240 nan 0.000 0.518 74 A N 2.143 125.243 122.820 0.468 0.000 1.968 74 A HA 0.144 4.474 4.320 0.016 0.000 0.217 74 A C 1.733 179.562 177.584 0.409 0.000 1.169 74 A CA 1.141 53.492 52.037 0.523 0.000 0.638 74 A CB -0.562 18.684 19.000 0.410 0.000 0.812 74 A HN 0.662 nan 8.150 nan 0.000 0.446 75 T N -0.889 113.915 114.554 0.416 0.000 3.150 75 T HA 0.506 4.866 4.350 0.016 0.000 0.383 75 T C -3.043 171.833 174.700 0.294 0.000 1.313 75 T CA -1.888 60.357 62.100 0.242 0.000 1.235 75 T CB 1.557 70.614 68.868 0.315 0.000 1.088 75 T HN 0.143 nan 8.240 nan 0.000 0.556 76 P HA 0.336 nan 4.420 nan 0.000 0.275 76 P C -2.741 174.475 177.300 -0.140 0.000 1.227 76 P CA -1.566 61.433 63.100 -0.169 0.000 0.781 76 P CB 0.079 31.684 31.700 -0.159 0.000 0.906 77 P HA -0.002 nan 4.420 nan 0.000 0.266 77 P C 1.002 177.947 177.300 -0.592 0.000 1.193 77 P CA 0.133 62.898 63.100 -0.559 0.000 0.770 77 P CB 0.345 31.362 31.700 -1.139 0.000 0.836 78 K N 3.647 123.678 120.400 -0.615 0.000 2.152 78 K HA -0.142 4.187 4.320 0.016 0.000 0.206 78 K C 1.587 177.851 176.600 -0.561 0.000 1.048 78 K CA 1.730 57.349 56.287 -1.113 0.000 0.933 78 K CB -0.844 30.803 32.500 -1.422 0.000 0.721 78 K HN 0.653 nan 8.250 nan 0.000 0.447 79 W N -0.073 121.032 121.300 -0.325 0.000 2.388 79 W HA -0.121 4.547 4.660 0.014 0.000 0.294 79 W C 1.378 177.767 176.519 -0.218 0.000 1.212 79 W CA 0.270 57.471 57.345 -0.240 0.000 1.271 79 W CB -0.910 28.443 29.460 -0.178 0.000 1.126 79 W HN 0.075 nan 8.180 nan 0.000 0.535 80 L N 2.117 122.851 121.223 -0.816 0.000 2.093 80 L HA -0.096 4.253 4.340 0.016 0.000 0.208 80 L C 2.428 179.141 176.870 -0.261 0.000 1.085 80 L CA 1.677 56.121 54.840 -0.661 0.000 0.755 80 L CB -1.121 40.229 42.059 -1.181 0.000 0.904 80 L HN -0.140 nan 8.230 nan 0.000 0.435 81 V N -0.226 119.521 119.914 -0.278 0.000 2.358 81 V HA -0.247 3.883 4.120 0.016 0.000 0.246 81 V C 2.231 178.266 176.094 -0.098 0.000 1.047 81 V CA 1.857 64.087 62.300 -0.117 0.000 1.035 81 V CB -0.790 30.974 31.823 -0.097 0.000 0.658 81 V HN 0.405 nan 8.190 nan 0.000 0.452 82 D N -0.346 119.965 120.400 -0.149 0.000 2.144 82 D HA -0.144 4.506 4.640 0.016 0.000 0.200 82 D C 2.261 178.504 176.300 -0.095 0.000 0.978 82 D CA 1.173 55.109 54.000 -0.107 0.000 0.833 82 D CB -0.221 40.515 40.800 -0.107 0.000 0.961 82 D HN 0.364 nan 8.370 nan 0.000 0.470 83 R N -0.410 120.002 120.500 -0.147 0.000 2.070 83 R HA -0.127 4.222 4.340 0.016 0.000 0.232 83 R C 0.108 176.210 176.300 -0.331 0.000 1.138 83 R CA 1.044 56.957 56.100 -0.313 0.000 0.936 83 R CB -0.080 29.903 30.300 -0.528 0.000 0.839 83 R HN 0.116 nan 8.270 nan 0.000 0.429 84 Y N 0.038 120.365 120.300 0.045 0.000 2.854 84 Y HA 0.360 4.918 4.550 0.013 0.000 0.330 84 Y C -1.956 173.960 175.900 0.027 0.000 1.037 84 Y CA -3.146 54.983 58.100 0.048 0.000 1.263 84 Y CB 1.471 39.976 38.460 0.075 0.000 1.120 84 Y HN 0.179 nan 8.280 nan 0.000 0.532 85 P HA -0.191 nan 4.420 nan 0.000 0.219 85 P C 1.116 178.470 177.300 0.090 0.000 1.146 85 P CA 1.539 64.689 63.100 0.083 0.000 0.808 85 P CB 0.290 32.025 31.700 0.058 0.000 0.779 86 E N -0.227 120.043 120.200 0.118 0.000 2.265 86 E HA -0.157 4.203 4.350 0.016 0.000 0.196 86 E C 1.762 178.406 176.600 0.074 0.000 0.996 86 E CA 0.823 57.280 56.400 0.095 0.000 0.832 86 E CB -1.145 28.617 29.700 0.102 0.000 0.756 86 E HN 0.233 nan 8.360 nan 0.000 0.491 87 I N 1.322 121.938 120.570 0.077 0.000 2.286 87 I HA -0.175 4.005 4.170 0.016 0.000 0.248 87 I C 1.190 177.287 176.117 -0.032 0.000 1.115 87 I CA 0.536 61.837 61.300 0.002 0.000 1.392 87 I CB -0.270 37.713 38.000 -0.028 0.000 1.065 87 I HN 0.129 nan 8.210 nan 0.000 0.418 88 L N 3.465 124.695 121.223 0.012 0.000 2.540 88 L HA 0.061 4.411 4.340 0.016 0.000 0.276 88 L C -1.870 175.003 176.870 0.005 0.000 1.212 88 L CA -1.302 53.548 54.840 0.017 0.000 0.893 88 L CB -0.389 41.691 42.059 0.035 0.000 1.138 88 L HN -0.048 nan 8.230 nan 0.000 0.491 89 P HA 0.167 nan 4.420 nan 0.000 0.276 89 P C -0.964 176.358 177.300 0.037 0.000 1.252 89 P CA -0.355 62.736 63.100 -0.015 0.000 0.802 89 P CB 1.619 33.276 31.700 -0.073 0.000 1.035 90 V N 1.901 121.862 119.914 0.078 0.000 2.487 90 V HA 0.165 4.295 4.120 0.016 0.000 0.298 90 V C 0.309 176.525 176.094 0.204 0.000 1.028 90 V CA -0.548 61.827 62.300 0.125 0.000 0.860 90 V CB 1.114 33.026 31.823 0.147 0.000 0.991 90 V HN 0.642 nan 8.190 nan 0.000 0.427 91 D N 4.075 124.576 120.400 0.169 0.000 2.369 91 D HA 0.085 4.735 4.640 0.016 0.000 0.241 91 D C 1.353 177.767 176.300 0.189 0.000 1.271 91 D CA -0.541 53.581 54.000 0.204 0.000 0.942 91 D CB 0.543 41.408 40.800 0.109 0.000 1.129 91 D HN 0.574 nan 8.370 nan 0.000 0.476 92 R N -0.175 120.352 120.500 0.045 0.000 2.159 92 R HA -0.153 4.197 4.340 0.016 0.000 0.237 92 R C 0.833 177.010 176.300 -0.205 0.000 1.131 92 R CA 0.969 56.788 56.100 -0.468 0.000 0.982 92 R CB -0.522 29.583 30.300 -0.326 0.000 0.868 92 R HN 0.391 nan 8.270 nan 0.000 0.453 93 E N 0.346 120.506 120.200 -0.067 0.000 2.418 93 E HA -0.010 4.349 4.350 0.016 0.000 0.197 93 E C 1.247 177.830 176.600 -0.028 0.000 1.026 93 E CA 1.009 57.379 56.400 -0.050 0.000 0.862 93 E CB 0.223 29.912 29.700 -0.018 0.000 0.799 93 E HN 0.719 nan 8.360 nan 0.000 0.518 94 G N 1.562 110.378 108.800 0.028 0.000 2.176 94 G HA2 -0.276 3.694 3.960 0.016 0.000 0.232 94 G HA3 -0.276 3.694 3.960 0.016 0.000 0.232 94 G C 0.206 175.145 174.900 0.064 0.000 0.986 94 G CA -0.078 45.063 45.100 0.069 0.000 0.643 94 G HN 0.196 nan 8.290 nan 0.000 0.522 95 R N -0.059 120.472 120.500 0.052 0.000 2.357 95 R HA 0.572 4.922 4.340 0.016 0.000 0.296 95 R C 0.469 176.802 176.300 0.054 0.000 1.052 95 R CA -0.771 55.355 56.100 0.043 0.000 0.988 95 R CB 0.767 31.084 30.300 0.028 0.000 1.025 95 R HN 0.166 nan 8.270 nan 0.000 0.469 96 R N 2.356 122.882 120.500 0.044 0.000 2.298 96 R HA 0.099 4.449 4.340 0.016 0.000 0.310 96 R C -0.267 176.050 176.300 0.028 0.000 1.068 96 R CA -0.141 55.984 56.100 0.042 0.000 0.957 96 R CB 0.449 30.772 30.300 0.038 0.000 1.003 96 R HN 0.389 nan 8.270 nan 0.000 0.454 97 R N 3.308 123.823 120.500 0.026 0.000 2.580 97 R HA 0.429 4.779 4.340 0.016 0.000 0.267 97 R C 0.048 176.350 176.300 0.003 0.000 1.125 97 R CA -0.337 55.769 56.100 0.010 0.000 1.188 97 R CB 0.294 30.598 30.300 0.007 0.000 1.155 97 R HN 0.713 nan 8.270 nan 0.000 0.586 98 R N -0.538 119.951 120.500 -0.019 0.000 2.930 98 R HA 0.373 4.722 4.340 0.016 0.000 0.257 98 R C -0.332 175.908 176.300 -0.099 0.000 1.107 98 R CA -0.899 55.184 56.100 -0.028 0.000 0.999 98 R CB 1.055 31.344 30.300 -0.018 0.000 1.209 98 R HN 0.369 nan 8.270 nan 0.000 0.486 99 F N -0.201 119.563 119.950 -0.310 0.000 2.440 99 F HA 0.337 4.873 4.527 0.015 0.000 0.323 99 F C 1.140 176.735 175.800 -0.341 0.000 1.192 99 F CA 1.978 59.643 58.000 -0.559 0.000 1.252 99 F CB 0.964 39.697 39.000 -0.444 0.000 1.214 99 F HN 0.745 nan 8.300 nan 0.000 0.578 100 G N 1.745 110.009 108.800 -0.892 0.000 2.901 100 G HA2 -0.033 3.937 3.960 0.016 0.000 0.194 100 G HA3 -0.033 3.937 3.960 0.016 0.000 0.194 100 G C 0.349 174.993 174.900 -0.426 0.000 1.020 100 G CA 0.009 44.836 45.100 -0.454 0.000 0.787 100 G HN 1.273 nan 8.290 nan 0.000 0.477 101 G N 0.250 108.803 108.800 -0.411 0.000 3.069 101 G HA2 0.716 4.686 3.960 0.016 0.000 0.205 101 G HA3 0.716 4.686 3.960 0.016 0.000 0.205 101 G C 0.149 174.931 174.900 -0.196 0.000 1.771 101 G CA 0.653 45.587 45.100 -0.276 0.000 0.739 101 G HN 1.109 nan 8.290 nan 0.000 0.784 102 R N -2.137 118.318 120.500 -0.075 0.000 2.747 102 R HA 0.599 4.949 4.340 0.016 0.000 0.272 102 R C -0.299 175.957 176.300 -0.072 0.000 1.032 102 R CA -0.810 55.265 56.100 -0.043 0.000 0.896 102 R CB 0.712 30.955 30.300 -0.095 0.000 1.253 102 R HN 0.331 nan 8.270 nan 0.000 0.461 103 R N 0.446 120.842 120.500 -0.173 0.000 3.741 103 R HA -0.133 4.217 4.340 0.016 0.000 0.292 103 R C -0.393 175.673 176.300 -0.391 0.000 1.176 103 R CA 1.331 57.275 56.100 -0.260 0.000 0.794 103 R CB -2.031 28.200 30.300 -0.115 0.000 1.213 103 R HN 0.815 nan 8.270 nan 0.000 0.494 104 H N -0.686 118.295 119.070 -0.149 0.000 2.768 104 H HA 0.243 4.808 4.556 0.016 0.000 0.219 104 H C -0.176 175.060 175.328 -0.153 0.000 1.898 104 H CA -0.119 55.835 56.048 -0.157 0.000 1.313 104 H CB -0.667 29.033 29.762 -0.104 0.000 1.701 104 H HN 0.402 nan 8.280 nan 0.000 0.534 105 Y N -1.016 119.060 120.300 -0.374 0.000 2.609 105 Y HA 0.457 5.016 4.550 0.015 0.000 0.336 105 Y C -1.533 174.041 175.900 -0.544 0.000 1.129 105 Y CA -1.992 55.772 58.100 -0.559 0.000 1.040 105 Y CB 0.619 38.459 38.460 -1.033 0.000 1.310 105 Y HN 0.248 nan 8.280 nan 0.000 0.460 106 C N 3.415 122.602 119.300 -0.189 0.000 2.341 106 C HA 0.514 4.984 4.460 0.016 0.000 0.338 106 C C 0.891 175.802 174.990 -0.131 0.000 1.257 106 C CA -0.558 58.343 59.018 -0.195 0.000 1.883 106 C CB -0.818 26.894 27.740 -0.048 0.000 2.334 106 C HN 0.889 nan 8.230 nan 0.000 0.524 107 F N 2.661 122.579 119.950 -0.054 0.000 2.502 107 F HA 0.011 4.548 4.527 0.017 0.000 0.298 107 F C 2.474 178.274 175.800 0.001 0.000 1.111 107 F CA 1.101 59.035 58.000 -0.109 0.000 1.445 107 F CB -0.123 38.735 39.000 -0.237 0.000 1.081 107 F HN 0.635 nan 8.300 nan 0.000 0.558 108 S N -1.421 114.382 115.700 0.172 0.000 2.439 108 S HA -0.060 4.420 4.470 0.016 0.000 0.224 108 S C 1.056 175.763 174.600 0.180 0.000 1.029 108 S CA 0.131 58.442 58.200 0.184 0.000 0.946 108 S CB -0.259 63.063 63.200 0.204 0.000 0.797 108 S HN 0.204 nan 8.310 nan 0.000 0.504 109 S N 3.841 119.634 115.700 0.156 0.000 2.811 109 S HA 0.004 4.484 4.470 0.016 0.000 0.325 109 S C -1.143 173.558 174.600 0.169 0.000 1.224 109 S CA -0.996 57.294 58.200 0.150 0.000 1.125 109 S CB 0.596 63.882 63.200 0.143 0.000 0.867 109 S HN 0.206 nan 8.310 nan 0.000 0.512 110 P HA -0.069 nan 4.420 nan 0.000 0.221 110 P C 1.474 178.807 177.300 0.054 0.000 1.150 110 P CA 0.682 63.841 63.100 0.097 0.000 0.800 110 P CB -0.004 31.741 31.700 0.075 0.000 0.787 111 V N -0.740 119.181 119.914 0.010 0.000 2.358 111 V HA -0.230 3.899 4.120 0.016 0.000 0.246 111 V C 2.603 178.685 176.094 -0.019 0.000 1.047 111 V CA 1.597 63.825 62.300 -0.121 0.000 1.035 111 V CB -1.620 30.002 31.823 -0.335 0.000 0.658 111 V HN -0.033 nan 8.190 nan 0.000 0.452 112 Y N 1.040 121.322 120.300 -0.029 0.000 2.352 112 Y HA -0.119 4.441 4.550 0.017 0.000 0.292 112 Y C 2.630 178.614 175.900 0.139 0.000 1.136 112 Y CA 1.178 59.308 58.100 0.051 0.000 1.227 112 Y CB -0.164 38.317 38.460 0.036 0.000 0.991 112 Y HN 0.066 nan 8.280 nan 0.000 0.545 113 R N 0.277 120.863 120.500 0.144 0.000 2.081 113 R HA -0.124 4.225 4.340 0.016 0.000 0.235 113 R C 1.892 178.157 176.300 -0.057 0.000 1.131 113 R CA 1.386 57.533 56.100 0.078 0.000 0.960 113 R CB -0.441 29.930 30.300 0.118 0.000 0.856 113 R HN 0.390 nan 8.270 nan 0.000 0.436 114 E N 0.531 120.710 120.200 -0.034 0.000 2.107 114 E HA -0.103 4.257 4.350 0.016 0.000 0.191 114 E C 1.869 178.451 176.600 -0.031 0.000 0.982 114 E CA 0.594 56.971 56.400 -0.037 0.000 0.809 114 E CB 0.016 29.704 29.700 -0.020 0.000 0.756 114 E HN 0.230 nan 8.360 nan 0.000 0.459 115 E N 0.854 121.041 120.200 -0.022 0.000 2.077 115 E HA -0.100 4.260 4.350 0.016 0.000 0.193 115 E C 1.953 178.555 176.600 0.003 0.000 0.989 115 E CA 1.041 57.495 56.400 0.091 0.000 0.800 115 E CB -0.196 29.612 29.700 0.180 0.000 0.746 115 E HN 0.197 nan 8.360 nan 0.000 0.452 116 A N 1.486 124.157 122.820 -0.249 0.000 1.873 116 A HA -0.191 4.139 4.320 0.016 0.000 0.215 116 A C 2.239 179.650 177.584 -0.287 0.000 1.186 116 A CA 1.681 53.501 52.037 -0.361 0.000 0.616 116 A CB -0.532 18.155 19.000 -0.522 0.000 0.823 116 A HN 0.163 nan 8.150 nan 0.000 0.442 117 R N -0.298 120.069 120.500 -0.223 0.000 2.096 117 R HA -0.219 4.130 4.340 0.016 0.000 0.240 117 R C 2.435 178.662 176.300 -0.122 0.000 1.139 117 R CA 1.994 57.993 56.100 -0.167 0.000 0.952 117 R CB -0.358 29.875 30.300 -0.112 0.000 0.854 117 R HN 0.576 nan 8.270 nan 0.000 0.436 118 R N 0.138 120.596 120.500 -0.070 0.000 2.075 118 R HA -0.171 4.178 4.340 0.016 0.000 0.230 118 R C 2.363 178.632 176.300 -0.052 0.000 1.140 118 R CA 1.935 58.022 56.100 -0.021 0.000 0.928 118 R CB -0.530 29.813 30.300 0.071 0.000 0.834 118 R HN 0.301 nan 8.270 nan 0.000 0.429 119 I N 0.688 121.186 120.570 -0.120 0.000 2.264 119 I HA -0.216 3.964 4.170 0.016 0.000 0.248 119 I C 1.905 177.900 176.117 -0.203 0.000 1.111 119 I CA 1.256 62.414 61.300 -0.236 0.000 1.382 119 I CB -0.050 37.474 38.000 -0.793 0.000 1.060 119 I HN 0.067 nan 8.210 nan 0.000 0.418 120 V N -0.074 119.698 119.914 -0.236 0.000 2.427 120 V HA -0.254 3.876 4.120 0.016 0.000 0.248 120 V C 2.403 178.402 176.094 -0.158 0.000 1.051 120 V CA 2.262 64.444 62.300 -0.197 0.000 1.048 120 V CB -1.213 30.472 31.823 -0.231 0.000 0.666 120 V HN 0.458 nan 8.190 nan 0.000 0.456 121 T N 0.507 114.973 114.554 -0.146 0.000 2.737 121 T HA -0.112 4.248 4.350 0.016 0.000 0.265 121 T C 1.916 176.490 174.700 -0.210 0.000 1.038 121 T CA 1.489 63.486 62.100 -0.171 0.000 1.144 121 T CB -0.287 68.489 68.868 -0.154 0.000 0.866 121 T HN 0.264 nan 8.240 nan 0.000 0.434 122 L N 0.331 121.478 121.223 -0.125 0.000 1.970 122 L HA -0.117 4.233 4.340 0.016 0.000 0.212 122 L C 2.500 179.240 176.870 -0.218 0.000 1.071 122 L CA 1.109 55.878 54.840 -0.117 0.000 0.751 122 L CB -0.644 41.504 42.059 0.149 0.000 0.889 122 L HN 0.208 nan 8.230 nan 0.000 0.432 123 L N 0.012 121.217 121.223 -0.030 0.000 2.043 123 L HA -0.225 4.125 4.340 0.016 0.000 0.212 123 L C 2.576 179.449 176.870 0.005 0.000 1.075 123 L CA 2.129 57.004 54.840 0.058 0.000 0.752 123 L CB -0.656 41.514 42.059 0.185 0.000 0.891 123 L HN 0.203 nan 8.230 nan 0.000 0.432 124 A N -1.014 121.754 122.820 -0.087 0.000 1.898 124 A HA -0.198 4.132 4.320 0.016 0.000 0.216 124 A C 2.152 179.663 177.584 -0.122 0.000 1.181 124 A CA 1.694 53.663 52.037 -0.114 0.000 0.620 124 A CB -0.590 18.285 19.000 -0.208 0.000 0.819 124 A HN 0.617 nan 8.150 nan 0.000 0.442 125 E N -0.823 119.224 120.200 -0.255 0.000 2.072 125 E HA -0.182 4.178 4.350 0.016 0.000 0.191 125 E C 2.312 178.710 176.600 -0.336 0.000 0.985 125 E CA 1.069 57.291 56.400 -0.297 0.000 0.801 125 E CB -0.162 29.299 29.700 -0.399 0.000 0.750 125 E HN 0.585 nan 8.360 nan 0.000 0.452 126 R N -0.071 120.110 120.500 -0.530 0.000 2.075 126 R HA -0.124 4.226 4.340 0.016 0.000 0.232 126 R C 1.183 177.039 176.300 -0.740 0.000 1.126 126 R CA 1.363 56.971 56.100 -0.821 0.000 0.963 126 R CB 0.106 29.531 30.300 -1.459 0.000 0.858 126 R HN 0.211 nan 8.270 nan 0.000 0.435 127 Y N -1.765 118.441 120.300 -0.156 0.000 2.445 127 Y HA 0.350 4.909 4.550 0.016 0.000 0.247 127 Y C 1.946 177.848 175.900 0.002 0.000 1.129 127 Y CA 0.036 58.084 58.100 -0.087 0.000 1.251 127 Y CB -0.009 38.400 38.460 -0.086 0.000 1.176 127 Y HN 0.136 nan 8.280 nan 0.000 0.522 128 G N 0.444 109.339 108.800 0.158 0.000 2.507 128 G HA2 -0.249 3.721 3.960 0.016 0.000 0.221 128 G HA3 -0.249 3.721 3.960 0.016 0.000 0.221 128 G C 1.829 176.784 174.900 0.092 0.000 1.119 128 G CA 1.217 46.425 45.100 0.181 0.000 0.751 128 G HN 0.514 nan 8.290 nan 0.000 0.574 129 G N -0.403 108.414 108.800 0.029 0.000 3.088 129 G HA2 0.369 4.339 3.960 0.016 0.000 0.217 129 G HA3 0.369 4.339 3.960 0.016 0.000 0.217 129 G C 0.578 175.477 174.900 -0.002 0.000 1.159 129 G CA -0.563 44.540 45.100 0.005 0.000 0.760 129 G HN 0.358 nan 8.290 nan 0.000 0.550 130 L N 0.730 121.957 121.223 0.007 0.000 2.453 130 L HA 0.150 4.500 4.340 0.016 0.000 0.272 130 L C 1.702 178.554 176.870 -0.030 0.000 1.182 130 L CA -0.361 54.474 54.840 -0.007 0.000 0.858 130 L CB 1.177 43.242 42.059 0.011 0.000 1.120 130 L HN 0.120 nan 8.230 nan 0.000 0.474 131 E N 2.336 122.518 120.200 -0.031 0.000 2.208 131 E HA -0.118 4.242 4.350 0.016 0.000 0.193 131 E C 1.842 178.410 176.600 -0.054 0.000 0.988 131 E CA 1.340 57.719 56.400 -0.035 0.000 0.828 131 E CB 0.229 29.913 29.700 -0.026 0.000 0.763 131 E HN 0.732 nan 8.360 nan 0.000 0.478 132 A N 0.046 122.826 122.820 -0.066 0.000 2.014 132 A HA 0.033 4.362 4.320 0.016 0.000 0.218 132 A C 0.905 178.412 177.584 -0.128 0.000 1.163 132 A CA 0.584 52.566 52.037 -0.091 0.000 0.652 132 A CB -0.043 18.902 19.000 -0.092 0.000 0.808 132 A HN 0.085 nan 8.150 nan 0.000 0.449 133 V N 0.266 120.088 119.914 -0.154 0.000 2.455 133 V HA 0.367 4.496 4.120 0.016 0.000 0.273 133 V C 1.319 177.265 176.094 -0.246 0.000 1.045 133 V CA 0.335 62.482 62.300 -0.254 0.000 0.976 133 V CB 0.799 32.429 31.823 -0.322 0.000 0.993 133 V HN 0.440 nan 8.190 nan 0.000 0.475 134 A N 3.895 126.553 122.820 -0.270 0.000 2.044 134 A HA 0.675 5.005 4.320 0.016 0.000 0.213 134 A C 1.070 178.156 177.584 -0.832 0.000 1.169 134 A CA 0.913 52.807 52.037 -0.239 0.000 0.724 134 A CB 0.113 19.196 19.000 0.138 0.000 0.840 134 A HN 1.190 nan 8.150 nan 0.000 0.463 135 G N -2.279 105.819 108.800 -1.169 0.000 2.341 135 G HA2 0.470 4.439 3.960 0.016 0.000 0.299 135 G HA3 0.470 4.439 3.960 0.016 0.000 0.299 135 G C -1.560 172.724 174.900 -1.026 0.000 1.274 135 G CA -0.701 43.429 45.100 -1.616 0.000 0.853 135 G HN 0.154 nan 8.290 nan 0.000 0.493 136 F N -0.190 119.497 119.950 -0.439 0.000 2.603 136 F HA 0.740 5.277 4.527 0.016 0.000 0.317 136 F C 0.129 175.897 175.800 -0.055 0.000 1.066 136 F CA -0.750 57.150 58.000 -0.166 0.000 0.941 136 F CB 2.647 41.558 39.000 -0.148 0.000 1.291 136 F HN 0.499 nan 8.300 nan 0.000 0.472 137 Q N 1.400 121.274 119.800 0.123 0.000 2.333 137 Q HA 0.440 4.790 4.340 0.016 0.000 0.268 137 Q C -1.142 174.877 176.000 0.032 0.000 1.007 137 Q CA -0.768 55.045 55.803 0.017 0.000 0.810 137 Q CB 1.793 30.498 28.738 -0.055 0.000 1.264 137 Q HN 0.823 nan 8.270 nan 0.000 0.452 138 T N 1.534 116.110 114.554 0.037 0.000 2.794 138 T HA 0.151 4.511 4.350 0.016 0.000 0.296 138 T C 0.428 175.140 174.700 0.020 0.000 0.949 138 T CA -0.296 61.831 62.100 0.046 0.000 1.101 138 T CB 0.908 69.816 68.868 0.066 0.000 0.905 138 T HN 0.902 nan 8.240 nan 0.000 0.516 139 D N 2.317 122.741 120.400 0.040 0.000 3.321 139 D HA -0.271 4.379 4.640 0.016 0.000 0.178 139 D C -0.253 176.012 176.300 -0.058 0.000 1.208 139 D CA 1.287 55.324 54.000 0.061 0.000 1.074 139 D CB -0.666 40.200 40.800 0.110 0.000 0.560 139 D HN 0.925 nan 8.370 nan 0.000 0.618 140 N N 0.494 119.153 118.700 -0.068 0.000 2.905 140 N HA 0.199 4.948 4.740 0.016 0.000 0.255 140 N C -1.767 173.687 175.510 -0.095 0.000 1.199 140 N CA 0.201 53.167 53.050 -0.140 0.000 0.911 140 N CB 0.792 39.184 38.487 -0.158 0.000 1.550 140 N HN 0.423 nan 8.380 nan 0.000 0.599 141 E N 2.091 122.133 120.200 -0.263 0.000 2.369 141 E HA -0.270 4.090 4.350 0.016 0.000 0.165 141 E C -0.882 175.760 176.600 0.070 0.000 1.622 141 E CA 0.621 56.924 56.400 -0.162 0.000 0.660 141 E CB -0.814 28.774 29.700 -0.186 0.000 1.085 141 E HN 0.428 nan 8.360 nan 0.000 0.346 142 Y N 0.679 121.210 120.300 0.386 0.000 2.810 142 Y HA 0.092 4.652 4.550 0.016 0.000 0.332 142 Y C 1.875 177.842 175.900 0.112 0.000 1.243 142 Y CA 1.481 59.745 58.100 0.272 0.000 1.537 142 Y CB 0.526 39.066 38.460 0.133 0.000 1.265 142 Y HN 0.572 nan 8.280 nan 0.000 0.572 143 G N 0.509 109.480 108.800 0.285 0.000 2.217 143 G HA2 -0.338 3.632 3.960 0.016 0.000 0.246 143 G HA3 -0.338 3.632 3.960 0.016 0.000 0.246 143 G C 0.454 175.228 174.900 -0.210 0.000 0.990 143 G CA -0.320 44.854 45.100 0.122 0.000 0.627 143 G HN 0.911 nan 8.290 nan 0.000 0.522 144 C N 2.111 121.222 119.300 -0.316 0.000 2.634 144 C HA 0.430 4.899 4.460 0.016 0.000 0.417 144 C C 1.659 176.477 174.990 -0.286 0.000 1.334 144 C CA 1.078 59.812 59.018 -0.474 0.000 1.829 144 C CB -1.012 26.419 27.740 -0.514 0.000 2.665 144 C HN 0.887 nan 8.230 nan 0.000 0.614 145 H N 1.950 120.944 119.070 -0.125 0.000 2.886 145 H HA -0.168 4.397 4.556 0.017 0.000 0.294 145 H C 0.435 175.771 175.328 0.012 0.000 1.246 145 H CA 1.408 57.422 56.048 -0.056 0.000 1.142 145 H CB -1.982 27.734 29.762 -0.077 0.000 1.358 145 H HN 1.118 nan 8.280 nan 0.000 0.406 146 D N -0.065 120.422 120.400 0.145 0.000 2.737 146 D HA -0.156 4.493 4.640 0.016 0.000 0.238 146 D C 0.949 177.341 176.300 0.154 0.000 1.157 146 D CA 1.631 55.752 54.000 0.201 0.000 0.694 146 D CB -0.736 40.175 40.800 0.185 0.000 1.021 146 D HN 0.729 nan 8.370 nan 0.000 0.420 147 T N -3.918 110.721 114.554 0.140 0.000 3.085 147 T HA 0.256 4.616 4.350 0.016 0.000 0.264 147 T C 1.688 176.501 174.700 0.188 0.000 1.019 147 T CA 0.363 62.513 62.100 0.084 0.000 0.910 147 T CB 0.435 69.278 68.868 -0.041 0.000 1.059 147 T HN 0.076 nan 8.240 nan 0.000 0.542 148 V N 1.251 121.280 119.914 0.192 0.000 2.379 148 V HA 0.119 4.248 4.120 0.016 0.000 0.245 148 V C 1.246 177.284 176.094 -0.092 0.000 1.044 148 V CA 1.139 63.473 62.300 0.056 0.000 1.036 148 V CB -0.380 31.441 31.823 -0.004 0.000 0.664 148 V HN 0.425 nan 8.190 nan 0.000 0.453 149 R N -0.795 119.635 120.500 -0.117 0.000 2.207 149 R HA 0.457 4.807 4.340 0.016 0.000 0.334 149 R C -0.723 175.424 176.300 -0.255 0.000 1.013 149 R CA -0.062 55.886 56.100 -0.253 0.000 0.858 149 R CB 1.224 31.405 30.300 -0.198 0.000 1.094 149 R HN 0.333 nan 8.270 nan 0.000 0.457 150 C N 3.216 122.338 119.300 -0.297 0.000 2.454 150 C HA 0.515 4.984 4.460 0.016 0.000 0.336 150 C C -0.559 174.158 174.990 -0.455 0.000 1.189 150 C CA -0.677 58.194 59.018 -0.245 0.000 1.877 150 C CB 0.529 28.229 27.740 -0.066 0.000 2.348 150 C HN 0.916 nan 8.230 nan 0.000 0.508 151 Y N 3.038 123.342 120.300 0.007 0.000 2.634 151 Y HA 0.311 4.869 4.550 0.014 0.000 0.292 151 Y C 1.021 176.910 175.900 -0.017 0.000 0.996 151 Y CA -0.574 57.450 58.100 -0.127 0.000 1.165 151 Y CB -0.018 38.286 38.460 -0.259 0.000 1.194 151 Y HN 0.874 nan 8.280 nan 0.000 0.585 152 C N -1.566 117.803 119.300 0.115 0.000 2.352 152 C HA 0.530 5.000 4.460 0.016 0.000 0.387 152 C C -1.006 174.054 174.990 0.116 0.000 1.294 152 C CA -2.046 57.043 59.018 0.119 0.000 2.137 152 C CB 1.980 29.777 27.740 0.095 0.000 2.146 152 C HN 0.229 nan 8.230 nan 0.000 0.559 153 P HA -0.080 nan 4.420 nan 0.000 0.215 153 P C 1.665 179.036 177.300 0.118 0.000 1.153 153 P CA 1.581 64.747 63.100 0.111 0.000 0.853 153 P CB -0.109 31.649 31.700 0.097 0.000 0.788 154 R N -0.797 119.774 120.500 0.118 0.000 2.105 154 R HA -0.113 4.237 4.340 0.016 0.000 0.239 154 R C 2.310 178.718 176.300 0.180 0.000 1.135 154 R CA 1.229 57.411 56.100 0.136 0.000 0.967 154 R CB -1.846 28.531 30.300 0.129 0.000 0.861 154 R HN 0.286 nan 8.270 nan 0.000 0.442 155 C N 0.280 119.691 119.300 0.184 0.000 2.446 155 C HA -0.074 4.396 4.460 0.016 0.000 0.277 155 C C 2.804 177.921 174.990 0.213 0.000 1.275 155 C CA 0.557 59.734 59.018 0.265 0.000 1.727 155 C CB -0.782 27.081 27.740 0.205 0.000 2.010 155 C HN 0.544 nan 8.230 nan 0.000 0.486 156 Q N 1.229 121.121 119.800 0.154 0.000 2.084 156 Q HA -0.225 4.125 4.340 0.016 0.000 0.202 156 Q C 2.214 178.305 176.000 0.151 0.000 0.978 156 Q CA 2.210 58.107 55.803 0.157 0.000 0.844 156 Q CB -0.113 28.710 28.738 0.143 0.000 0.898 156 Q HN 0.837 nan 8.270 nan 0.000 0.426 157 E N -0.696 119.582 120.200 0.131 0.000 2.152 157 E HA -0.102 4.258 4.350 0.016 0.000 0.192 157 E C 1.860 178.523 176.600 0.104 0.000 0.983 157 E CA 0.829 57.291 56.400 0.104 0.000 0.818 157 E CB -0.243 29.517 29.700 0.099 0.000 0.758 157 E HN 0.379 nan 8.360 nan 0.000 0.467 158 A N 1.157 124.074 122.820 0.162 0.000 1.968 158 A HA -0.088 4.242 4.320 0.016 0.000 0.217 158 A C 1.920 179.533 177.584 0.048 0.000 1.169 158 A CA 0.869 53.047 52.037 0.234 0.000 0.638 158 A CB -0.712 18.560 19.000 0.454 0.000 0.812 158 A HN 0.359 nan 8.150 nan 0.000 0.446 159 F N 1.076 120.730 119.950 -0.493 0.000 2.186 159 F HA -0.095 4.441 4.527 0.015 0.000 0.299 159 F C 2.281 177.935 175.800 -0.243 0.000 1.090 159 F CA 1.327 58.766 58.000 -0.934 0.000 1.307 159 F CB -0.330 38.255 39.000 -0.693 0.000 1.019 159 F HN 0.147 nan 8.300 nan 0.000 0.489 160 R N -0.244 120.152 120.500 -0.174 0.000 2.081 160 R HA -0.088 4.262 4.340 0.016 0.000 0.235 160 R C 2.577 178.740 176.300 -0.230 0.000 1.131 160 R CA 1.237 57.214 56.100 -0.205 0.000 0.960 160 R CB -1.355 28.909 30.300 -0.060 0.000 0.856 160 R HN 0.434 nan 8.270 nan 0.000 0.436 161 G N 0.373 109.113 108.800 -0.100 0.000 2.418 161 G HA2 -0.294 3.676 3.960 0.016 0.000 0.217 161 G HA3 -0.294 3.676 3.960 0.016 0.000 0.217 161 G C 1.153 176.006 174.900 -0.079 0.000 1.158 161 G CA 0.528 45.573 45.100 -0.091 0.000 0.771 161 G HN 0.445 nan 8.290 nan 0.000 0.545 162 W N 1.164 122.372 121.300 -0.153 0.000 2.355 162 W HA -0.020 4.650 4.660 0.016 0.000 0.309 162 W C 2.398 178.799 176.519 -0.196 0.000 1.206 162 W CA 1.358 58.664 57.345 -0.065 0.000 1.284 162 W CB -0.306 29.235 29.460 0.135 0.000 1.145 162 W HN 0.123 nan 8.180 nan 0.000 0.502 163 L N 0.236 121.429 121.223 -0.050 0.000 2.042 163 L HA -0.245 4.105 4.340 0.016 0.000 0.210 163 L C 2.513 179.099 176.870 -0.474 0.000 1.076 163 L CA 2.052 56.796 54.840 -0.160 0.000 0.749 163 L CB -1.008 40.954 42.059 -0.163 0.000 0.893 163 L HN 0.119 nan 8.230 nan 0.000 0.432 164 E N 0.215 119.859 120.200 -0.926 0.000 2.106 164 E HA -0.214 4.145 4.350 0.016 0.000 0.192 164 E C 2.208 178.486 176.600 -0.537 0.000 0.984 164 E CA 1.030 56.703 56.400 -1.210 0.000 0.806 164 E CB 0.049 29.039 29.700 -1.183 0.000 0.750 164 E HN 0.459 nan 8.360 nan 0.000 0.458 165 A N 1.348 123.897 122.820 -0.452 0.000 1.898 165 A HA -0.158 4.172 4.320 0.016 0.000 0.216 165 A C 2.201 179.536 177.584 -0.415 0.000 1.181 165 A CA 1.409 53.230 52.037 -0.360 0.000 0.620 165 A CB -0.452 18.348 19.000 -0.334 0.000 0.819 165 A HN 0.189 nan 8.150 nan 0.000 0.442 166 R N -2.271 117.864 120.500 -0.610 0.000 2.090 166 R HA -0.093 4.257 4.340 0.016 0.000 0.228 166 R C 1.422 177.343 176.300 -0.630 0.000 1.110 166 R CA 1.585 57.241 56.100 -0.740 0.000 0.973 166 R CB -0.175 29.426 30.300 -1.165 0.000 0.869 166 R HN 0.587 nan 8.270 nan 0.000 0.440 167 Y N -1.463 118.726 120.300 -0.185 0.000 2.507 167 Y HA 0.294 4.854 4.550 0.016 0.000 0.263 167 Y C 1.781 177.676 175.900 -0.007 0.000 1.093 167 Y CA 0.532 58.597 58.100 -0.057 0.000 1.285 167 Y CB 0.657 39.125 38.460 0.014 0.000 1.115 167 Y HN 0.353 nan 8.280 nan 0.000 0.533 168 G N 0.289 109.144 108.800 0.091 0.000 4.039 168 G HA2 -0.342 3.628 3.960 0.016 0.000 0.220 168 G HA3 -0.342 3.628 3.960 0.016 0.000 0.220 168 G C 0.553 175.587 174.900 0.225 0.000 1.391 168 G CA 0.672 45.821 45.100 0.081 0.000 0.920 168 G HN 0.533 nan 8.290 nan 0.000 0.599 169 T N -1.758 112.935 114.554 0.233 0.000 2.887 169 T HA 0.669 5.029 4.350 0.016 0.000 0.288 169 T C 1.108 175.777 174.700 -0.052 0.000 1.021 169 T CA 0.124 62.304 62.100 0.133 0.000 1.000 169 T CB 2.203 71.081 68.868 0.018 0.000 1.034 169 T HN 0.907 nan 8.240 nan 0.000 0.467 170 I N 1.151 121.442 120.570 -0.466 0.000 2.567 170 I HA -0.032 4.148 4.170 0.016 0.000 0.257 170 I C 1.923 177.776 176.117 -0.440 0.000 1.184 170 I CA 1.480 62.279 61.300 -0.835 0.000 1.451 170 I CB -0.541 36.949 38.000 -0.850 0.000 1.089 170 I HN 0.782 nan 8.210 nan 0.000 0.441 171 E N 0.675 120.720 120.200 -0.258 0.000 2.072 171 E HA -0.118 4.242 4.350 0.016 0.000 0.191 171 E C 2.310 178.804 176.600 -0.176 0.000 0.985 171 E CA 1.497 57.790 56.400 -0.178 0.000 0.801 171 E CB -0.637 28.999 29.700 -0.106 0.000 0.750 171 E HN 0.555 nan 8.360 nan 0.000 0.452 172 A N 0.657 123.395 122.820 -0.137 0.000 1.972 172 A HA -0.126 4.204 4.320 0.016 0.000 0.219 172 A C 2.194 179.581 177.584 -0.328 0.000 1.169 172 A CA 1.190 53.168 52.037 -0.099 0.000 0.635 172 A CB -0.630 18.408 19.000 0.063 0.000 0.810 172 A HN 0.311 nan 8.150 nan 0.000 0.446 173 L N -0.499 120.372 121.223 -0.587 0.000 2.072 173 L HA -0.149 4.201 4.340 0.016 0.000 0.205 173 L C 2.112 178.494 176.870 -0.813 0.000 1.079 173 L CA 1.508 55.643 54.840 -1.174 0.000 0.752 173 L CB -0.405 40.955 42.059 -1.166 0.000 0.906 173 L HN 0.326 nan 8.230 nan 0.000 0.436 174 N N 0.109 118.530 118.700 -0.465 0.000 2.120 174 N HA -0.272 4.478 4.740 0.016 0.000 0.188 174 N C 1.697 177.135 175.510 -0.121 0.000 1.024 174 N CA 1.768 54.681 53.050 -0.229 0.000 0.852 174 N CB -0.172 38.217 38.487 -0.164 0.000 1.003 174 N HN 0.530 nan 8.380 nan 0.000 0.424 175 E N 0.746 120.868 120.200 -0.129 0.000 2.072 175 E HA -0.076 4.284 4.350 0.016 0.000 0.191 175 E C 1.861 178.463 176.600 0.004 0.000 0.985 175 E CA 0.922 57.294 56.400 -0.047 0.000 0.801 175 E CB 0.010 29.686 29.700 -0.040 0.000 0.750 175 E HN 0.284 nan 8.360 nan 0.000 0.452 176 A N 0.629 123.430 122.820 -0.030 0.000 1.877 176 A HA -0.170 4.159 4.320 0.016 0.000 0.216 176 A C 1.621 179.390 177.584 0.308 0.000 1.186 176 A CA 1.350 53.461 52.037 0.123 0.000 0.620 176 A CB -0.925 18.134 19.000 0.098 0.000 0.822 176 A HN 0.478 nan 8.150 nan 0.000 0.443 177 W N -0.994 120.275 121.300 -0.051 0.000 2.905 177 W HA 0.354 5.023 4.660 0.014 0.000 0.251 177 W C 1.549 178.051 176.519 -0.028 0.000 1.305 177 W CA 0.168 57.507 57.345 -0.009 0.000 1.465 177 W CB -1.076 28.391 29.460 0.011 0.000 1.122 177 W HN 0.624 nan 8.180 nan 0.000 0.659 178 G N 0.969 109.873 108.800 0.173 0.000 2.314 178 G HA2 -0.341 3.628 3.960 0.016 0.000 0.292 178 G HA3 -0.341 3.628 3.960 0.016 0.000 0.292 178 G C 0.908 175.875 174.900 0.113 0.000 1.059 178 G CA 0.812 45.964 45.100 0.086 0.000 0.982 178 G HN 0.290 nan 8.290 nan 0.000 0.505 179 T N -3.335 111.289 114.554 0.118 0.000 3.155 179 T HA 0.327 4.687 4.350 0.016 0.000 0.264 179 T C 2.333 177.061 174.700 0.046 0.000 1.160 179 T CA 1.316 63.468 62.100 0.088 0.000 1.075 179 T CB 0.127 68.999 68.868 0.007 0.000 0.921 179 T HN 1.437 nan 8.240 nan 0.000 0.533 180 A N 0.995 123.851 122.820 0.060 0.000 1.969 180 A HA 0.215 4.545 4.320 0.016 0.000 0.218 180 A C 0.741 178.379 177.584 0.089 0.000 1.169 180 A CA -0.000 52.065 52.037 0.047 0.000 0.635 180 A CB -0.791 18.235 19.000 0.044 0.000 0.810 180 A HN 0.633 nan 8.150 nan 0.000 0.445 181 F N -0.522 119.404 119.950 -0.041 0.000 2.578 181 F HA 0.231 4.768 4.527 0.016 0.000 0.381 181 F C -0.031 175.804 175.800 0.058 0.000 1.069 181 F CA 0.008 57.960 58.000 -0.081 0.000 1.231 181 F CB 0.073 38.932 39.000 -0.236 0.000 1.086 181 F HN 0.415 nan 8.300 nan 0.000 0.564 182 W N 4.281 125.238 121.300 -0.573 0.000 5.271 182 W HA -0.291 4.379 4.660 0.016 0.000 0.364 182 W C 0.999 177.407 176.519 -0.184 0.000 1.342 182 W CA 0.598 57.701 57.345 -0.403 0.000 0.899 182 W CB -2.608 26.643 29.460 -0.348 0.000 2.450 182 W HN 0.657 nan 8.180 nan 0.000 1.508 183 S N -1.096 114.628 115.700 0.041 0.000 3.477 183 S HA -0.287 4.192 4.470 0.016 0.000 0.371 183 S C 1.252 175.826 174.600 -0.042 0.000 0.965 183 S CA 1.443 59.636 58.200 -0.013 0.000 1.239 183 S CB -0.867 62.313 63.200 -0.033 0.000 0.918 183 S HN 0.650 nan 8.310 nan 0.000 0.498 184 Q N -0.311 119.464 119.800 -0.042 0.000 2.392 184 Q HA 0.118 4.468 4.340 0.016 0.000 0.203 184 Q C 0.971 176.667 176.000 -0.508 0.000 0.917 184 Q CA -0.115 55.582 55.803 -0.176 0.000 0.939 184 Q CB 0.245 28.978 28.738 -0.008 0.000 1.063 184 Q HN 0.560 nan 8.270 nan 0.000 0.516 185 R N 0.890 121.206 120.500 -0.307 0.000 2.478 185 R HA -0.127 4.223 4.340 0.016 0.000 0.281 185 R C -1.227 174.814 176.300 -0.433 0.000 0.939 185 R CA 0.645 56.561 56.100 -0.306 0.000 1.120 185 R CB 0.242 30.452 30.300 -0.150 0.000 0.885 185 R HN -0.014 nan 8.270 nan 0.000 0.415 186 Y N 3.270 123.504 120.300 -0.110 0.000 2.360 186 Y HA 0.291 4.850 4.550 0.015 0.000 0.337 186 Y C 1.144 176.935 175.900 -0.182 0.000 1.039 186 Y CA -0.844 57.167 58.100 -0.148 0.000 1.109 186 Y CB 1.791 40.114 38.460 -0.228 0.000 1.201 186 Y HN 0.515 nan 8.280 nan 0.000 0.458 187 R N 0.838 121.349 120.500 0.018 0.000 2.210 187 R HA 0.134 4.484 4.340 0.016 0.000 0.203 187 R C -0.237 175.993 176.300 -0.116 0.000 1.010 187 R CA 0.823 56.891 56.100 -0.054 0.000 1.008 187 R CB 0.285 30.568 30.300 -0.029 0.000 0.923 187 R HN 0.700 nan 8.270 nan 0.000 0.469 188 S N -2.178 113.439 115.700 -0.138 0.000 2.587 188 S HA 0.202 4.681 4.470 0.016 0.000 0.269 188 S C 0.104 174.535 174.600 -0.282 0.000 1.154 188 S CA -0.884 57.174 58.200 -0.236 0.000 0.824 188 S CB 0.262 63.410 63.200 -0.087 0.000 1.118 188 S HN -0.046 nan 8.310 nan 0.000 0.462 189 F N 1.181 121.044 119.950 -0.145 0.000 2.250 189 F HA 0.067 4.603 4.527 0.015 0.000 0.301 189 F C 2.784 178.484 175.800 -0.167 0.000 1.077 189 F CA 1.410 59.282 58.000 -0.213 0.000 1.348 189 F CB -0.783 38.110 39.000 -0.178 0.000 1.040 189 F HN 0.838 nan 8.300 nan 0.000 0.509 190 A N -0.223 122.635 122.820 0.064 0.000 2.070 190 A HA -0.170 4.159 4.320 0.016 0.000 0.220 190 A C 2.070 179.669 177.584 0.024 0.000 1.159 190 A CA 1.505 53.569 52.037 0.045 0.000 0.656 190 A CB -0.595 18.432 19.000 0.046 0.000 0.800 190 A HN 0.452 nan 8.150 nan 0.000 0.453 191 E N -0.332 119.866 120.200 -0.004 0.000 2.371 191 E HA 0.064 4.423 4.350 0.016 0.000 0.194 191 E C -0.321 176.274 176.600 -0.009 0.000 1.012 191 E CA -0.084 56.349 56.400 0.055 0.000 0.860 191 E CB 0.096 29.894 29.700 0.164 0.000 0.811 191 E HN 0.375 nan 8.360 nan 0.000 0.502 192 V N 2.486 122.243 119.914 -0.261 0.000 2.555 192 V HA 0.054 4.184 4.120 0.016 0.000 0.286 192 V C 0.326 176.425 176.094 0.008 0.000 1.044 192 V CA 0.342 62.401 62.300 -0.402 0.000 1.026 192 V CB 1.011 32.486 31.823 -0.580 0.000 0.981 192 V HN 0.081 nan 8.190 nan 0.000 0.480 193 E N 3.140 123.449 120.200 0.182 0.000 2.334 193 E HA 0.586 4.946 4.350 0.016 0.000 0.256 193 E C -0.888 175.970 176.600 0.430 0.000 0.958 193 E CA -1.093 55.476 56.400 0.281 0.000 0.821 193 E CB 1.630 31.479 29.700 0.248 0.000 1.269 193 E HN 0.454 nan 8.360 nan 0.000 0.413 194 L N 2.638 124.019 121.223 0.263 0.000 2.456 194 L HA 0.155 4.505 4.340 0.016 0.000 0.272 194 L C -1.751 175.107 176.870 -0.021 0.000 1.189 194 L CA -1.419 53.417 54.840 -0.008 0.000 0.846 194 L CB 0.061 41.966 42.059 -0.257 0.000 1.111 194 L HN 0.281 nan 8.230 nan 0.000 0.475 195 P HA 0.068 nan 4.420 nan 0.000 0.226 195 P C -1.115 176.051 177.300 -0.223 0.000 1.783 195 P CA 0.145 62.895 63.100 -0.583 0.000 0.980 195 P CB -0.640 30.392 31.700 -1.114 0.000 1.967 196 H N -1.605 117.319 119.070 -0.242 0.000 2.980 196 H HA 0.479 5.043 4.556 0.014 0.000 0.367 196 H C 0.218 175.454 175.328 -0.153 0.000 1.206 196 H CA -1.234 54.676 56.048 -0.230 0.000 1.126 196 H CB 0.986 30.510 29.762 -0.397 0.000 1.838 196 H HN -0.177 nan 8.280 nan 0.000 0.552 197 L N 0.340 121.392 121.223 -0.285 0.000 4.001 197 L HA -0.241 4.109 4.340 0.016 0.000 0.413 197 L C 0.106 176.877 176.870 -0.166 0.000 1.185 197 L CA 0.914 55.579 54.840 -0.291 0.000 0.963 197 L CB -2.248 39.521 42.059 -0.483 0.000 1.976 197 L HN 0.991 nan 8.230 nan 0.000 0.939 198 T N -3.084 111.415 114.554 -0.091 0.000 2.904 198 T HA 0.565 4.925 4.350 0.016 0.000 0.290 198 T C 0.367 175.049 174.700 -0.030 0.000 1.018 198 T CA -0.797 61.285 62.100 -0.030 0.000 1.075 198 T CB 2.172 71.056 68.868 0.028 0.000 0.986 198 T HN 0.029 nan 8.240 nan 0.000 0.523 199 V N 3.212 123.107 119.914 -0.032 0.000 2.470 199 V HA 0.557 4.687 4.120 0.016 0.000 0.276 199 V C 1.020 177.085 176.094 -0.048 0.000 1.040 199 V CA 0.584 62.851 62.300 -0.054 0.000 1.008 199 V CB -0.883 30.891 31.823 -0.081 0.000 0.990 199 V HN 1.599 nan 8.190 nan 0.000 0.477 200 A N 4.853 127.653 122.820 -0.033 0.000 6.581 200 A HA -0.100 4.229 4.320 0.016 0.000 0.228 200 A C -0.074 177.568 177.584 0.096 0.000 2.346 200 A CA 0.079 52.123 52.037 0.012 0.000 0.681 200 A CB -1.079 17.867 19.000 -0.089 0.000 0.930 200 A HN 0.874 nan 8.150 nan 0.000 0.360 201 E N 1.535 121.849 120.200 0.189 0.000 2.383 201 E HA 0.520 4.880 4.350 0.016 0.000 0.264 201 E C -1.771 174.928 176.600 0.165 0.000 1.050 201 E CA -0.396 56.093 56.400 0.149 0.000 0.896 201 E CB 0.258 30.037 29.700 0.131 0.000 0.982 201 E HN 0.625 nan 8.360 nan 0.000 0.424 202 P HA 0.008 nan 4.420 nan 0.000 0.276 202 P C -0.532 176.740 177.300 -0.046 0.000 1.252 202 P CA -0.540 62.564 63.100 0.007 0.000 0.802 202 P CB 0.595 32.220 31.700 -0.125 0.000 1.035 203 N N 1.921 120.601 118.700 -0.034 0.000 2.468 203 N HA 0.013 4.763 4.740 0.016 0.000 0.265 203 N C -1.236 174.067 175.510 -0.344 0.000 1.199 203 N CA -1.517 51.445 53.050 -0.146 0.000 0.928 203 N CB 0.487 38.949 38.487 -0.042 0.000 1.059 203 N HN 0.229 nan 8.380 nan 0.000 0.467 204 P HA -0.106 nan 4.420 nan 0.000 0.216 204 P C 0.938 177.785 177.300 -0.755 0.000 1.150 204 P CA 1.215 63.809 63.100 -0.843 0.000 0.837 204 P CB 0.286 31.125 31.700 -1.435 0.000 0.786 205 S N -1.130 114.218 115.700 -0.587 0.000 2.383 205 S HA -0.174 4.306 4.470 0.016 0.000 0.227 205 S C 2.027 176.269 174.600 -0.598 0.000 1.026 205 S CA 0.943 58.948 58.200 -0.325 0.000 0.981 205 S CB -1.323 61.716 63.200 -0.270 0.000 0.818 205 S HN 0.429 nan 8.310 nan 0.000 0.472 206 H N 0.391 118.766 119.070 -1.157 0.000 2.321 206 H HA -0.025 4.540 4.556 0.015 0.000 0.300 206 H C 2.240 177.294 175.328 -0.456 0.000 1.087 206 H CA 1.226 56.498 56.048 -1.293 0.000 1.319 206 H CB -0.130 29.027 29.762 -1.007 0.000 1.379 206 H HN 0.228 nan 8.280 nan 0.000 0.501 207 L N 0.750 121.735 121.223 -0.397 0.000 2.093 207 L HA -0.105 4.245 4.340 0.016 0.000 0.208 207 L C 2.309 178.894 176.870 -0.476 0.000 1.085 207 L CA 1.051 55.599 54.840 -0.487 0.000 0.755 207 L CB -0.664 41.106 42.059 -0.483 0.000 0.904 207 L HN 0.374 nan 8.230 nan 0.000 0.435 208 L N -0.739 120.392 121.223 -0.153 0.000 2.056 208 L HA -0.156 4.194 4.340 0.016 0.000 0.207 208 L C 1.992 178.934 176.870 0.120 0.000 1.078 208 L CA 1.816 56.715 54.840 0.098 0.000 0.749 208 L CB -0.992 41.328 42.059 0.435 0.000 0.901 208 L HN 0.241 nan 8.230 nan 0.000 0.433 209 D N -1.509 119.042 120.400 0.252 0.000 2.178 209 D HA -0.240 4.410 4.640 0.016 0.000 0.201 209 D C 1.964 178.367 176.300 0.170 0.000 0.980 209 D CA 1.343 55.618 54.000 0.457 0.000 0.842 209 D CB -0.195 41.165 40.800 0.932 0.000 0.948 209 D HN 0.521 nan 8.370 nan 0.000 0.472 210 Y N 0.435 120.674 120.300 -0.102 0.000 2.242 210 Y HA -0.257 4.303 4.550 0.017 0.000 0.291 210 Y C 1.816 177.498 175.900 -0.362 0.000 1.137 210 Y CA 1.330 59.102 58.100 -0.546 0.000 1.181 210 Y CB -0.482 37.515 38.460 -0.772 0.000 0.989 210 Y HN -0.063 nan 8.280 nan 0.000 0.527 211 Y N 0.435 120.367 120.300 -0.613 0.000 2.242 211 Y HA -0.107 4.452 4.550 0.015 0.000 0.291 211 Y C 2.605 177.787 175.900 -1.198 0.000 1.137 211 Y CA 1.260 58.771 58.100 -0.982 0.000 1.181 211 Y CB -0.917 37.005 38.460 -0.896 0.000 0.989 211 Y HN 0.096 nan 8.280 nan 0.000 0.527 212 R N -0.904 119.221 120.500 -0.625 0.000 2.073 212 R HA -0.191 4.159 4.340 0.016 0.000 0.234 212 R C 2.209 178.200 176.300 -0.515 0.000 1.134 212 R CA 1.791 57.644 56.100 -0.412 0.000 0.952 212 R CB -0.862 29.538 30.300 0.167 0.000 0.850 212 R HN 0.313 nan 8.270 nan 0.000 0.433 213 F N 1.429 120.752 119.950 -1.044 0.000 2.095 213 F HA -0.184 4.352 4.527 0.015 0.000 0.298 213 F C 2.181 177.536 175.800 -0.743 0.000 1.104 213 F CA 1.431 58.665 58.000 -1.277 0.000 1.232 213 F CB -0.581 37.686 39.000 -1.222 0.000 0.987 213 F HN -0.005 nan 8.300 nan 0.000 0.475 214 A N -0.550 121.636 122.820 -1.056 0.000 1.908 214 A HA -0.236 4.094 4.320 0.016 0.000 0.218 214 A C 2.410 179.519 177.584 -0.791 0.000 1.181 214 A CA 2.176 53.598 52.037 -1.026 0.000 0.627 214 A CB -1.562 16.872 19.000 -0.943 0.000 0.818 214 A HN 0.518 nan 8.150 nan 0.000 0.445 215 S N -0.494 114.806 115.700 -0.666 0.000 2.368 215 S HA -0.170 4.310 4.470 0.016 0.000 0.224 215 S C 1.656 176.049 174.600 -0.344 0.000 1.029 215 S CA 1.587 59.535 58.200 -0.419 0.000 0.988 215 S CB -0.524 62.559 63.200 -0.196 0.000 0.838 215 S HN 0.553 nan 8.310 nan 0.000 0.462 216 D N 0.993 121.203 120.400 -0.316 0.000 2.144 216 D HA -0.072 4.578 4.640 0.016 0.000 0.199 216 D C 2.264 178.411 176.300 -0.256 0.000 0.984 216 D CA 0.836 54.739 54.000 -0.161 0.000 0.834 216 D CB -0.374 40.458 40.800 0.053 0.000 0.955 216 D HN 0.425 nan 8.370 nan 0.000 0.465 217 Q N 0.339 119.843 119.800 -0.493 0.000 2.096 217 Q HA -0.091 4.258 4.340 0.016 0.000 0.204 217 Q C 2.483 178.267 176.000 -0.360 0.000 0.982 217 Q CA 0.617 56.168 55.803 -0.419 0.000 0.850 217 Q CB -0.413 27.956 28.738 -0.615 0.000 0.901 217 Q HN 0.248 nan 8.270 nan 0.000 0.422 218 V N 0.744 120.279 119.914 -0.632 0.000 2.307 218 V HA -0.243 3.887 4.120 0.016 0.000 0.245 218 V C 2.501 178.296 176.094 -0.499 0.000 1.045 218 V CA 1.956 63.714 62.300 -0.903 0.000 1.024 218 V CB -0.575 30.590 31.823 -1.097 0.000 0.651 218 V HN 0.297 nan 8.190 nan 0.000 0.449 219 R N 0.294 120.606 120.500 -0.314 0.000 2.096 219 R HA -0.162 4.187 4.340 0.016 0.000 0.235 219 R C 2.268 178.513 176.300 -0.093 0.000 1.127 219 R CA 1.668 57.669 56.100 -0.164 0.000 0.968 219 R CB -0.465 29.791 30.300 -0.074 0.000 0.861 219 R HN 0.488 nan 8.270 nan 0.000 0.440 220 A N 0.300 123.084 122.820 -0.060 0.000 1.877 220 A HA -0.192 4.138 4.320 0.016 0.000 0.216 220 A C 2.009 179.614 177.584 0.034 0.000 1.186 220 A CA 1.340 53.378 52.037 0.002 0.000 0.620 220 A CB -0.846 18.175 19.000 0.035 0.000 0.822 220 A HN 0.526 nan 8.150 nan 0.000 0.443 221 F N 1.364 121.262 119.950 -0.086 0.000 2.126 221 F HA -0.236 4.301 4.527 0.017 0.000 0.299 221 F C 2.010 177.782 175.800 -0.045 0.000 1.096 221 F CA 2.166 60.159 58.000 -0.011 0.000 1.255 221 F CB -0.370 38.711 39.000 0.135 0.000 0.997 221 F HN 0.370 nan 8.300 nan 0.000 0.479 222 N N -0.023 118.662 118.700 -0.025 0.000 2.171 222 N HA -0.201 4.549 4.740 0.016 0.000 0.184 222 N C 1.981 177.443 175.510 -0.080 0.000 1.021 222 N CA 1.044 54.068 53.050 -0.043 0.000 0.854 222 N CB -0.245 38.208 38.487 -0.057 0.000 0.994 222 N HN 0.058 nan 8.380 nan 0.000 0.426 223 R N 0.922 121.378 120.500 -0.073 0.000 2.091 223 R HA -0.047 4.302 4.340 0.016 0.000 0.238 223 R C 2.068 178.309 176.300 -0.099 0.000 1.136 223 R CA 0.998 57.058 56.100 -0.066 0.000 0.959 223 R CB -1.160 29.115 30.300 -0.042 0.000 0.856 223 R HN 0.398 nan 8.270 nan 0.000 0.437 224 L N 0.796 121.940 121.223 -0.132 0.000 1.990 224 L HA -0.254 4.095 4.340 0.016 0.000 0.213 224 L C 1.740 178.497 176.870 -0.188 0.000 1.072 224 L CA 2.158 56.902 54.840 -0.161 0.000 0.755 224 L CB -0.943 40.988 42.059 -0.213 0.000 0.889 224 L HN 0.450 nan 8.230 nan 0.000 0.432 225 Q N -0.858 118.801 119.800 -0.235 0.000 2.124 225 Q HA -0.163 4.187 4.340 0.016 0.000 0.202 225 Q C 2.196 178.086 176.000 -0.183 0.000 0.977 225 Q CA 1.601 57.270 55.803 -0.222 0.000 0.850 225 Q CB -0.200 28.408 28.738 -0.216 0.000 0.901 225 Q HN 0.468 nan 8.270 nan 0.000 0.429 226 V N 1.390 121.220 119.914 -0.141 0.000 2.427 226 V HA -0.238 3.892 4.120 0.016 0.000 0.248 226 V C 1.917 177.931 176.094 -0.133 0.000 1.051 226 V CA 1.825 64.049 62.300 -0.126 0.000 1.048 226 V CB -0.486 31.288 31.823 -0.081 0.000 0.666 226 V HN 0.343 nan 8.190 nan 0.000 0.456 227 E N -0.002 120.125 120.200 -0.122 0.000 2.077 227 E HA -0.194 4.166 4.350 0.016 0.000 0.193 227 E C 2.171 178.683 176.600 -0.147 0.000 0.989 227 E CA 1.506 57.834 56.400 -0.119 0.000 0.800 227 E CB -0.192 29.447 29.700 -0.101 0.000 0.746 227 E HN 0.562 nan 8.360 nan 0.000 0.452 228 I N 0.833 121.316 120.570 -0.145 0.000 2.252 228 I HA -0.265 3.915 4.170 0.016 0.000 0.245 228 I C 2.230 178.249 176.117 -0.163 0.000 1.102 228 I CA 0.968 62.199 61.300 -0.116 0.000 1.385 228 I CB -0.158 37.782 38.000 -0.100 0.000 1.064 228 I HN 0.118 nan 8.210 nan 0.000 0.414 229 L N 0.034 121.107 121.223 -0.249 0.000 2.217 229 L HA -0.111 4.238 4.340 0.016 0.000 0.211 229 L C 2.622 179.351 176.870 -0.235 0.000 1.107 229 L CA 0.716 55.342 54.840 -0.357 0.000 0.783 229 L CB -0.478 41.286 42.059 -0.490 0.000 0.919 229 L HN 0.200 nan 8.230 nan 0.000 0.442 230 R N 0.007 120.397 120.500 -0.182 0.000 2.119 230 R HA 0.057 4.407 4.340 0.016 0.000 0.222 230 R C 2.183 178.385 176.300 -0.163 0.000 1.088 230 R CA 1.210 57.228 56.100 -0.138 0.000 0.984 230 R CB -0.557 29.677 30.300 -0.111 0.000 0.884 230 R HN 0.298 nan 8.270 nan 0.000 0.447 231 A N 0.483 123.158 122.820 -0.241 0.000 1.903 231 A HA -0.055 4.275 4.320 0.016 0.000 0.213 231 A C 1.411 178.729 177.584 -0.445 0.000 1.185 231 A CA 0.823 52.636 52.037 -0.373 0.000 0.628 231 A CB -0.262 18.424 19.000 -0.524 0.000 0.830 231 A HN 0.247 nan 8.150 nan 0.000 0.446 232 H N -1.425 117.569 119.070 -0.126 0.000 2.586 232 H HA 0.502 5.068 4.556 0.016 0.000 0.273 232 H C 0.336 175.597 175.328 -0.112 0.000 0.997 232 H CA 0.705 56.680 56.048 -0.122 0.000 1.177 232 H CB 0.439 30.115 29.762 -0.143 0.000 1.471 232 H HN 0.439 nan 8.280 nan 0.000 0.538 233 A N 1.955 124.748 122.820 -0.045 0.000 3.234 233 A HA 0.275 4.605 4.320 0.016 0.000 0.247 233 A C -2.621 174.955 177.584 -0.013 0.000 0.938 233 A CA -1.092 50.938 52.037 -0.012 0.000 1.039 233 A CB 0.351 19.322 19.000 -0.048 0.000 1.197 233 A HN -0.078 nan 8.150 nan 0.000 0.498 234 P HA 0.243 nan 4.420 nan 0.000 0.266 234 P C 1.056 178.360 177.300 0.007 0.000 1.195 234 P CA 1.943 65.031 63.100 -0.020 0.000 0.768 234 P CB 1.067 32.750 31.700 -0.029 0.000 0.838 235 G N 1.675 110.485 108.800 0.017 0.000 2.225 235 G HA2 -0.192 3.778 3.960 0.016 0.000 0.254 235 G HA3 -0.192 3.778 3.960 0.016 0.000 0.254 235 G C 0.048 174.975 174.900 0.046 0.000 0.988 235 G CA -0.037 45.084 45.100 0.035 0.000 0.625 235 G HN 0.568 nan 8.290 nan 0.000 0.527 236 K N 1.327 121.749 120.400 0.036 0.000 2.227 236 K HA 0.531 4.861 4.320 0.016 0.000 0.280 236 K C 0.662 177.272 176.600 0.018 0.000 1.041 236 K CA -0.901 55.381 56.287 -0.009 0.000 0.905 236 K CB 0.630 33.188 32.500 0.097 0.000 1.068 236 K HN 0.430 nan 8.250 nan 0.000 0.470 237 F N 0.518 120.515 119.950 0.078 0.000 2.535 237 F HA 0.357 4.893 4.527 0.016 0.000 0.332 237 F C -0.016 175.743 175.800 -0.068 0.000 1.208 237 F CA -0.981 57.011 58.000 -0.013 0.000 1.330 237 F CB 0.146 39.152 39.000 0.011 0.000 1.167 237 F HN 0.077 nan 8.300 nan 0.000 0.597 238 V N 1.585 121.605 119.914 0.177 0.000 2.623 238 V HA 0.606 4.736 4.120 0.016 0.000 0.304 238 V C -0.161 175.783 176.094 -0.249 0.000 1.054 238 V CA -0.291 62.029 62.300 0.034 0.000 0.882 238 V CB 1.306 33.105 31.823 -0.040 0.000 1.002 238 V HN 1.231 nan 8.190 nan 0.000 0.424 239 T N 2.083 116.480 114.554 -0.262 0.000 2.696 239 T HA 0.731 5.091 4.350 0.016 0.000 0.291 239 T C -1.935 172.639 174.700 -0.210 0.000 1.095 239 T CA -0.392 61.438 62.100 -0.452 0.000 1.026 239 T CB 1.902 70.232 68.868 -0.897 0.000 1.390 239 T HN 0.944 nan 8.240 nan 0.000 0.513 240 H N 1.024 119.849 119.070 -0.408 0.000 2.996 240 H HA 0.526 5.092 4.556 0.016 0.000 0.368 240 H C -0.981 173.957 175.328 -0.649 0.000 1.185 240 H CA -0.780 54.961 56.048 -0.512 0.000 1.160 240 H CB 1.128 30.543 29.762 -0.579 0.000 1.820 240 H HN 0.546 nan 8.280 nan 0.000 0.547 241 N N 4.420 122.368 118.700 -1.252 0.000 2.558 241 N HA 0.137 4.886 4.740 0.016 0.000 0.233 241 N C -1.007 174.023 175.510 -0.799 0.000 1.038 241 N CA -0.309 52.258 53.050 -0.805 0.000 0.934 241 N CB -0.266 37.939 38.487 -0.470 0.000 1.175 241 N HN 0.151 nan 8.380 nan 0.000 0.512 242 F N 1.082 120.835 119.950 -0.329 0.000 2.435 242 F HA 0.348 4.885 4.527 0.016 0.000 0.316 242 F C 1.356 177.108 175.800 -0.080 0.000 1.220 242 F CA -0.419 57.479 58.000 -0.170 0.000 1.241 242 F CB 0.502 39.325 39.000 -0.295 0.000 1.234 242 F HN 0.188 nan 8.300 nan 0.000 0.569 243 M N 0.137 119.916 119.600 0.298 0.000 2.706 243 M HA 0.505 4.994 4.480 0.016 0.000 0.304 243 M C 0.359 176.813 176.300 0.256 0.000 1.217 243 M CA -0.817 54.626 55.300 0.237 0.000 0.922 243 M CB 1.507 34.127 32.600 0.033 0.000 1.637 243 M HN 0.660 nan 8.290 nan 0.000 0.492 244 G N -0.199 108.594 108.800 -0.012 0.000 2.444 244 G HA2 0.480 4.450 3.960 0.016 0.000 0.268 244 G HA3 0.480 4.450 3.960 0.016 0.000 0.268 244 G C -0.521 174.132 174.900 -0.412 0.000 1.203 244 G CA -0.428 44.120 45.100 -0.919 0.000 0.835 244 G HN 0.695 nan 8.290 nan 0.000 0.543 245 F N -0.868 119.055 119.950 -0.044 0.000 2.861 245 F HA -0.168 4.369 4.527 0.016 0.000 0.230 245 F C -0.010 175.942 175.800 0.253 0.000 1.020 245 F CA 0.433 58.519 58.000 0.143 0.000 0.852 245 F CB -1.670 37.322 39.000 -0.013 0.000 0.724 245 F HN 0.427 nan 8.300 nan 0.000 0.843 246 F N 0.756 120.880 119.950 0.290 0.000 2.507 246 F HA 0.560 5.096 4.527 0.015 0.000 0.328 246 F C 0.728 176.756 175.800 0.380 0.000 1.136 246 F CA -0.413 57.753 58.000 0.277 0.000 0.930 246 F CB 1.464 40.598 39.000 0.222 0.000 1.166 246 F HN 0.045 nan 8.300 nan 0.000 0.436 247 T N -0.572 113.890 114.554 -0.154 0.000 3.004 247 T HA 0.124 4.484 4.350 0.016 0.000 0.266 247 T C 0.878 175.607 174.700 0.048 0.000 0.986 247 T CA 0.083 62.276 62.100 0.156 0.000 0.902 247 T CB -0.109 68.896 68.868 0.227 0.000 1.118 247 T HN 0.378 nan 8.240 nan 0.000 0.522 248 D N 1.416 121.458 120.400 -0.597 0.000 2.182 248 D HA 0.041 4.690 4.640 0.016 0.000 0.201 248 D C 0.499 176.764 176.300 -0.058 0.000 0.986 248 D CA 0.726 54.506 54.000 -0.367 0.000 0.847 248 D CB -0.070 40.382 40.800 -0.580 0.000 0.942 248 D HN 0.380 nan 8.370 nan 0.000 0.467 249 L N 0.943 122.141 121.223 -0.042 0.000 2.307 249 L HA 0.258 4.608 4.340 0.016 0.000 0.284 249 L C -0.658 176.128 176.870 -0.141 0.000 1.023 249 L CA -0.705 54.176 54.840 0.068 0.000 0.810 249 L CB 1.660 43.868 42.059 0.248 0.000 1.231 249 L HN -0.287 nan 8.230 nan 0.000 0.423 250 D N 4.137 124.483 120.400 -0.091 0.000 2.416 250 D HA 0.193 4.843 4.640 0.016 0.000 0.240 250 D C 0.932 176.883 176.300 -0.582 0.000 1.250 250 D CA 0.555 54.261 54.000 -0.490 0.000 0.967 250 D CB 1.415 42.219 40.800 0.006 0.000 1.059 250 D HN 0.758 nan 8.370 nan 0.000 0.512 251 A N 3.885 126.009 122.820 -1.159 0.000 1.972 251 A HA -0.173 4.157 4.320 0.016 0.000 0.219 251 A C 1.767 179.074 177.584 -0.462 0.000 1.169 251 A CA 0.820 52.352 52.037 -0.840 0.000 0.635 251 A CB -0.531 17.779 19.000 -1.150 0.000 0.810 251 A HN 0.555 nan 8.150 nan 0.000 0.446 252 F N 0.228 120.041 119.950 -0.229 0.000 2.102 252 F HA -0.110 4.426 4.527 0.016 0.000 0.298 252 F C 2.799 178.589 175.800 -0.016 0.000 1.105 252 F CA 0.934 58.915 58.000 -0.032 0.000 1.239 252 F CB -0.819 38.229 39.000 0.081 0.000 0.991 252 F HN 0.264 nan 8.300 nan 0.000 0.474 253 A N -0.034 122.889 122.820 0.171 0.000 1.858 253 A HA -0.174 4.156 4.320 0.016 0.000 0.216 253 A C 2.252 179.895 177.584 0.098 0.000 1.190 253 A CA 1.649 53.757 52.037 0.118 0.000 0.617 253 A CB -1.271 17.789 19.000 0.100 0.000 0.827 253 A HN 0.414 nan 8.150 nan 0.000 0.443 254 L N -0.550 120.723 121.223 0.084 0.000 2.079 254 L HA -0.152 4.198 4.340 0.016 0.000 0.210 254 L C 2.643 179.624 176.870 0.184 0.000 1.081 254 L CA 1.504 56.418 54.840 0.123 0.000 0.752 254 L CB -0.284 41.880 42.059 0.175 0.000 0.896 254 L HN 0.383 nan 8.230 nan 0.000 0.433 255 A N -1.082 121.877 122.820 0.232 0.000 2.178 255 A HA -0.213 4.117 4.320 0.016 0.000 0.218 255 A C 2.046 179.726 177.584 0.160 0.000 1.157 255 A CA 1.278 53.467 52.037 0.253 0.000 0.689 255 A CB -0.428 18.720 19.000 0.247 0.000 0.787 255 A HN 0.663 nan 8.150 nan 0.000 0.465 256 Q N -0.274 119.604 119.800 0.129 0.000 2.291 256 Q HA -0.125 4.225 4.340 0.016 0.000 0.205 256 Q C 0.374 176.413 176.000 0.065 0.000 0.970 256 Q CA 1.177 57.037 55.803 0.095 0.000 0.876 256 Q CB 0.001 28.787 28.738 0.080 0.000 0.935 256 Q HN 0.597 nan 8.270 nan 0.000 0.455 257 D N -0.227 120.208 120.400 0.059 0.000 2.325 257 D HA 0.129 4.778 4.640 0.016 0.000 0.225 257 D C 0.089 176.395 176.300 0.011 0.000 1.096 257 D CA 0.367 54.383 54.000 0.027 0.000 0.844 257 D CB 0.435 41.244 40.800 0.015 0.000 0.925 257 D HN 0.177 nan 8.370 nan 0.000 0.513 258 L N 0.088 121.325 121.223 0.023 0.000 2.303 258 L HA 0.325 4.674 4.340 0.016 0.000 0.266 258 L C 1.114 177.954 176.870 -0.050 0.000 1.011 258 L CA -0.859 53.958 54.840 -0.039 0.000 0.818 258 L CB 1.922 43.960 42.059 -0.036 0.000 1.326 258 L HN -0.333 nan 8.230 nan 0.000 0.435 259 D N 0.606 120.908 120.400 -0.163 0.000 2.234 259 D HA 0.055 4.705 4.640 0.016 0.000 0.205 259 D C -0.334 175.984 176.300 0.030 0.000 0.962 259 D CA 1.458 55.411 54.000 -0.080 0.000 0.855 259 D CB 0.460 41.205 40.800 -0.092 0.000 0.951 259 D HN 0.307 nan 8.370 nan 0.000 0.500 260 F N -1.551 118.379 119.950 -0.033 0.000 2.770 260 F HA 0.595 5.132 4.527 0.017 0.000 0.313 260 F C -1.642 174.174 175.800 0.026 0.000 1.154 260 F CA -1.881 56.114 58.000 -0.008 0.000 0.923 260 F CB 0.784 39.728 39.000 -0.093 0.000 1.301 260 F HN -0.211 nan 8.300 nan 0.000 0.449 261 A N 1.096 124.205 122.820 0.481 0.000 2.295 261 A HA 0.878 5.207 4.320 0.016 0.000 0.318 261 A C -0.614 177.271 177.584 0.501 0.000 1.134 261 A CA -0.447 51.880 52.037 0.482 0.000 0.827 261 A CB 0.851 20.186 19.000 0.558 0.000 1.136 261 A HN 0.862 nan 8.150 nan 0.000 0.493 262 S N 0.825 116.697 115.700 0.287 0.000 2.570 262 S HA 0.815 5.295 4.470 0.016 0.000 0.286 262 S C -1.161 173.514 174.600 0.125 0.000 1.099 262 S CA -0.487 57.855 58.200 0.236 0.000 0.913 262 S CB 1.451 64.677 63.200 0.043 0.000 1.085 262 S HN 0.969 nan 8.310 nan 0.000 0.480 263 W N 0.956 122.192 121.300 -0.107 0.000 3.075 263 W HA 0.580 5.250 4.660 0.016 0.000 0.334 263 W C -2.247 174.203 176.519 -0.115 0.000 1.243 263 W CA -0.836 56.347 57.345 -0.269 0.000 1.170 263 W CB 0.555 29.661 29.460 -0.590 0.000 1.452 263 W HN 0.434 nan 8.180 nan 0.000 0.572 264 D N 2.306 122.559 120.400 -0.246 0.000 2.414 264 D HA 0.219 4.868 4.640 0.016 0.000 0.232 264 D C -0.573 175.277 176.300 -0.750 0.000 1.070 264 D CA -0.135 53.579 54.000 -0.476 0.000 0.839 264 D CB 1.927 42.674 40.800 -0.087 0.000 1.079 264 D HN 0.287 nan 8.370 nan 0.000 0.521 265 S N 2.501 117.400 115.700 -1.335 0.000 2.430 265 S HA 0.319 4.798 4.470 0.016 0.000 0.289 265 S C -1.065 172.904 174.600 -1.051 0.000 1.143 265 S CA -0.472 57.035 58.200 -1.154 0.000 1.067 265 S CB 0.020 62.523 63.200 -1.162 0.000 0.964 265 S HN 0.259 nan 8.310 nan 0.000 0.485 266 Y N 5.699 125.655 120.300 -0.573 0.000 2.584 266 Y HA 0.337 4.897 4.550 0.017 0.000 0.358 266 Y C -2.064 173.303 175.900 -0.888 0.000 1.028 266 Y CA -1.797 55.885 58.100 -0.696 0.000 1.148 266 Y CB 0.901 39.103 38.460 -0.429 0.000 1.126 266 Y HN 0.487 nan 8.280 nan 0.000 0.658 267 P HA -0.248 nan 4.420 nan 0.000 0.216 267 P C 1.612 178.928 177.300 0.027 0.000 1.157 267 P CA 1.814 64.817 63.100 -0.162 0.000 0.880 267 P CB 0.401 31.844 31.700 -0.428 0.000 0.791 268 L N -1.609 119.596 121.223 -0.030 0.000 2.046 268 L HA -0.111 4.239 4.340 0.016 0.000 0.208 268 L C 2.653 179.505 176.870 -0.030 0.000 1.077 268 L CA 2.049 56.931 54.840 0.070 0.000 0.747 268 L CB -1.810 40.291 42.059 0.070 0.000 0.896 268 L HN 0.116 nan 8.230 nan 0.000 0.432 269 G N -0.054 108.597 108.800 -0.248 0.000 2.402 269 G HA2 -0.235 3.735 3.960 0.016 0.000 0.216 269 G HA3 -0.235 3.735 3.960 0.016 0.000 0.216 269 G C 1.312 176.325 174.900 0.188 0.000 1.162 269 G CA 0.376 45.259 45.100 -0.362 0.000 0.777 269 G HN 0.149 nan 8.290 nan 0.000 0.539 270 F N 1.575 121.744 119.950 0.365 0.000 2.134 270 F HA 0.003 4.539 4.527 0.016 0.000 0.299 270 F C 3.037 179.022 175.800 0.310 0.000 1.097 270 F CA 1.335 59.579 58.000 0.406 0.000 1.264 270 F CB -1.279 37.977 39.000 0.427 0.000 1.001 270 F HN 0.024 nan 8.300 nan 0.000 0.479 271 T N -0.666 114.160 114.554 0.453 0.000 2.746 271 T HA -0.232 4.128 4.350 0.016 0.000 0.267 271 T C 1.566 176.427 174.700 0.269 0.000 1.039 271 T CA 1.768 64.078 62.100 0.351 0.000 1.142 271 T CB -0.528 68.559 68.868 0.366 0.000 0.866 271 T HN 0.229 nan 8.240 nan 0.000 0.444 272 D N 0.682 121.223 120.400 0.235 0.000 2.182 272 D HA -0.046 4.604 4.640 0.016 0.000 0.201 272 D C 1.781 178.207 176.300 0.209 0.000 0.986 272 D CA 0.779 54.906 54.000 0.213 0.000 0.847 272 D CB -0.242 40.664 40.800 0.177 0.000 0.942 272 D HN 0.319 nan 8.370 nan 0.000 0.467 273 L N -0.544 120.815 121.223 0.227 0.000 2.418 273 L HA 0.148 4.497 4.340 0.016 0.000 0.218 273 L C 0.772 177.714 176.870 0.120 0.000 1.125 273 L CA -0.066 54.893 54.840 0.198 0.000 0.835 273 L CB -0.129 42.095 42.059 0.276 0.000 0.953 273 L HN 0.084 nan 8.230 nan 0.000 0.454 274 M N 1.628 121.291 119.600 0.104 0.000 2.233 274 M HA 0.166 4.656 4.480 0.016 0.000 0.350 274 M C -1.889 174.419 176.300 0.014 0.000 1.176 274 M CA -1.448 53.841 55.300 -0.017 0.000 1.150 274 M CB 0.609 33.179 32.600 -0.051 0.000 1.530 274 M HN -0.239 nan 8.290 nan 0.000 0.459 275 P HA 0.258 nan 4.420 nan 0.000 0.231 275 P C -1.167 176.144 177.300 0.018 0.000 1.811 275 P CA 0.137 63.239 63.100 0.004 0.000 1.051 275 P CB -0.313 31.375 31.700 -0.020 0.000 1.951 276 L N 3.661 124.922 121.223 0.062 0.000 2.399 276 L HA 0.468 4.818 4.340 0.016 0.000 0.265 276 L C -1.533 175.400 176.870 0.105 0.000 1.089 276 L CA -2.479 52.423 54.840 0.103 0.000 0.802 276 L CB 0.259 42.431 42.059 0.187 0.000 1.180 276 L HN 0.107 nan 8.230 nan 0.000 0.454 277 P HA 0.072 nan 4.420 nan 0.000 0.267 277 P C -2.340 175.016 177.300 0.092 0.000 1.200 277 P CA -1.128 62.029 63.100 0.095 0.000 0.772 277 P CB 0.165 31.926 31.700 0.101 0.000 0.855 278 P HA -0.271 nan 4.420 nan 0.000 0.219 278 P C 1.662 178.992 177.300 0.050 0.000 1.161 278 P CA 1.946 65.079 63.100 0.054 0.000 0.909 278 P CB -0.139 31.586 31.700 0.040 0.000 0.793 279 E N 0.430 120.658 120.200 0.047 0.000 2.077 279 E HA -0.233 4.127 4.350 0.016 0.000 0.193 279 E C 1.700 178.307 176.600 0.011 0.000 0.989 279 E CA 1.508 57.923 56.400 0.024 0.000 0.800 279 E CB -1.157 28.558 29.700 0.024 0.000 0.746 279 E HN 0.402 nan 8.360 nan 0.000 0.452 280 E N 1.424 121.669 120.200 0.074 0.000 2.107 280 E HA -0.145 4.215 4.350 0.016 0.000 0.191 280 E C 2.260 178.966 176.600 0.177 0.000 0.982 280 E CA 1.272 57.748 56.400 0.125 0.000 0.809 280 E CB -0.221 29.697 29.700 0.365 0.000 0.756 280 E HN 0.482 nan 8.360 nan 0.000 0.459 281 K N 1.263 121.761 120.400 0.163 0.000 2.147 281 K HA -0.132 4.198 4.320 0.016 0.000 0.205 281 K C 2.008 178.674 176.600 0.110 0.000 1.049 281 K CA 1.171 57.556 56.287 0.163 0.000 0.936 281 K CB -0.190 32.379 32.500 0.115 0.000 0.722 281 K HN 0.132 nan 8.250 nan 0.000 0.446 282 L N 0.486 121.738 121.223 0.049 0.000 2.127 282 L HA 0.082 4.431 4.340 0.016 0.000 0.203 282 L C 2.978 179.849 176.870 0.001 0.000 1.080 282 L CA 0.703 55.555 54.840 0.020 0.000 0.768 282 L CB -0.419 41.640 42.059 0.000 0.000 0.924 282 L HN 0.204 nan 8.230 nan 0.000 0.444 283 R N 0.023 120.467 120.500 -0.093 0.000 2.096 283 R HA -0.175 4.174 4.340 0.016 0.000 0.235 283 R C 1.149 177.336 176.300 -0.188 0.000 1.127 283 R CA 1.577 57.535 56.100 -0.237 0.000 0.968 283 R CB 0.019 30.003 30.300 -0.526 0.000 0.861 283 R HN 0.274 nan 8.270 nan 0.000 0.440 284 Y N -0.689 119.726 120.300 0.191 0.000 2.607 284 Y HA 0.396 4.955 4.550 0.016 0.000 0.266 284 Y C 1.465 177.504 175.900 0.232 0.000 1.178 284 Y CA -0.338 57.908 58.100 0.244 0.000 1.226 284 Y CB 0.231 38.846 38.460 0.260 0.000 1.144 284 Y HN 0.133 nan 8.280 nan 0.000 0.528 285 A N 0.597 123.577 122.820 0.265 0.000 1.933 285 A HA -0.148 4.182 4.320 0.016 0.000 0.218 285 A C 2.121 179.823 177.584 0.197 0.000 1.175 285 A CA 1.433 53.590 52.037 0.200 0.000 0.628 285 A CB -0.182 18.884 19.000 0.110 0.000 0.814 285 A HN 0.397 nan 8.150 nan 0.000 0.444 286 R N -1.048 119.557 120.500 0.175 0.000 2.393 286 R HA 0.084 4.434 4.340 0.016 0.000 0.244 286 R C 1.218 177.608 176.300 0.150 0.000 0.920 286 R CA 0.953 57.120 56.100 0.111 0.000 1.076 286 R CB 0.176 30.459 30.300 -0.028 0.000 1.119 286 R HN 0.721 nan 8.270 nan 0.000 0.524 287 T N -4.080 110.682 114.554 0.347 0.000 2.980 287 T HA 0.271 4.630 4.350 0.016 0.000 0.252 287 T C 0.819 175.996 174.700 0.795 0.000 0.962 287 T CA 0.322 62.705 62.100 0.472 0.000 0.932 287 T CB 1.103 70.318 68.868 0.577 0.000 1.188 287 T HN 0.257 nan 8.240 nan 0.000 0.500 288 G N 1.540 110.724 108.800 0.640 0.000 2.692 288 G HA2 -0.048 3.922 3.960 0.016 0.000 0.686 288 G HA3 -0.048 3.922 3.960 0.016 0.000 0.686 288 G C -0.674 174.454 174.900 0.381 0.000 1.243 288 G CA -0.429 45.002 45.100 0.551 0.000 0.782 288 G HN 0.830 nan 8.290 nan 0.000 0.625 289 H N 3.278 122.448 119.070 0.166 0.000 2.928 289 H HA 0.145 4.711 4.556 0.016 0.000 0.338 289 H C -1.013 174.096 175.328 -0.365 0.000 1.047 289 H CA -0.188 55.743 56.048 -0.195 0.000 1.435 289 H CB 1.055 30.868 29.762 0.086 0.000 1.428 289 H HN 0.168 nan 8.280 nan 0.000 0.590 290 P HA -0.152 nan 4.420 nan 0.000 0.218 290 P C 0.318 177.373 177.300 -0.408 0.000 1.146 290 P CA 1.520 63.838 63.100 -1.304 0.000 0.820 290 P CB 0.321 31.428 31.700 -0.988 0.000 0.778 291 D N -2.267 118.204 120.400 0.119 0.000 2.398 291 D HA 0.044 4.693 4.640 0.016 0.000 0.210 291 D C 1.709 178.299 176.300 0.484 0.000 1.094 291 D CA -0.011 54.186 54.000 0.328 0.000 0.839 291 D CB -0.064 40.875 40.800 0.232 0.000 0.963 291 D HN -0.019 nan 8.370 nan 0.000 0.506 292 V N 1.268 121.502 119.914 0.533 0.000 2.343 292 V HA -0.224 3.906 4.120 0.016 0.000 0.247 292 V C 2.200 178.510 176.094 0.361 0.000 1.051 292 V CA 2.304 64.913 62.300 0.515 0.000 1.036 292 V CB -0.069 32.068 31.823 0.523 0.000 0.654 292 V HN 0.208 nan 8.190 nan 0.000 0.451 293 A N -0.726 122.260 122.820 0.277 0.000 1.878 293 A HA 0.170 4.500 4.320 0.016 0.000 0.213 293 A C 2.390 179.815 177.584 -0.265 0.000 1.192 293 A CA 1.485 53.599 52.037 0.129 0.000 0.619 293 A CB -0.903 18.187 19.000 0.150 0.000 0.837 293 A HN 0.689 nan 8.150 nan 0.000 0.446 294 A N -0.633 122.146 122.820 -0.069 0.000 1.917 294 A HA -0.141 4.189 4.320 0.016 0.000 0.219 294 A C 2.036 179.448 177.584 -0.288 0.000 1.182 294 A CA 1.836 53.752 52.037 -0.201 0.000 0.633 294 A CB -0.849 18.241 19.000 0.151 0.000 0.819 294 A HN 0.777 nan 8.150 nan 0.000 0.448 295 F N 0.677 120.339 119.950 -0.481 0.000 2.126 295 F HA -0.232 4.304 4.527 0.016 0.000 0.299 295 F C 2.109 177.224 175.800 -1.140 0.000 1.096 295 F CA 2.346 59.637 58.000 -1.182 0.000 1.255 295 F CB -0.685 37.641 39.000 -1.123 0.000 0.997 295 F HN 0.427 nan 8.300 nan 0.000 0.479 296 H N -1.781 116.557 119.070 -1.219 0.000 2.462 296 H HA -0.060 4.506 4.556 0.016 0.000 0.292 296 H C 2.106 176.575 175.328 -1.432 0.000 1.049 296 H CA 1.559 56.598 56.048 -1.683 0.000 1.334 296 H CB -0.275 28.202 29.762 -2.142 0.000 1.404 296 H HN 0.293 nan 8.280 nan 0.000 0.544 297 H N 0.393 119.015 119.070 -0.745 0.000 2.357 297 H HA -0.095 4.471 4.556 0.016 0.000 0.301 297 H C 1.427 176.266 175.328 -0.815 0.000 1.082 297 H CA 1.310 57.008 56.048 -0.583 0.000 1.342 297 H CB -0.103 29.558 29.762 -0.169 0.000 1.389 297 H HN 0.441 nan 8.280 nan 0.000 0.511 298 D N 0.548 120.644 120.400 -0.505 0.000 2.097 298 D HA -0.110 4.540 4.640 0.016 0.000 0.197 298 D C 2.426 178.328 176.300 -0.664 0.000 0.984 298 D CA 0.414 54.169 54.000 -0.409 0.000 0.826 298 D CB -0.479 40.200 40.800 -0.203 0.000 0.973 298 D HN 0.175 nan 8.370 nan 0.000 0.460 299 L N 0.132 120.687 121.223 -1.114 0.000 1.989 299 L HA -0.217 4.132 4.340 0.016 0.000 0.211 299 L C 2.078 178.304 176.870 -1.073 0.000 1.071 299 L CA 1.726 55.791 54.840 -1.293 0.000 0.749 299 L CB -0.935 39.903 42.059 -2.035 0.000 0.890 299 L HN -0.011 nan 8.230 nan 0.000 0.431 300 Y N -0.219 119.559 120.300 -0.871 0.000 2.439 300 Y HA -0.081 4.478 4.550 0.016 0.000 0.292 300 Y C 2.821 178.433 175.900 -0.480 0.000 1.130 300 Y CA 1.340 59.065 58.100 -0.626 0.000 1.254 300 Y CB -0.566 37.587 38.460 -0.511 0.000 1.000 300 Y HN 0.262 nan 8.280 nan 0.000 0.554 301 R N 0.016 120.157 120.500 -0.599 0.000 2.115 301 R HA -0.093 4.257 4.340 0.016 0.000 0.230 301 R C 2.398 178.675 176.300 -0.038 0.000 1.111 301 R CA 1.285 57.230 56.100 -0.258 0.000 0.976 301 R CB -0.582 29.578 30.300 -0.233 0.000 0.870 301 R HN 0.401 nan 8.270 nan 0.000 0.445 302 G N -0.156 108.568 108.800 -0.126 0.000 2.394 302 G HA2 -0.155 3.815 3.960 0.016 0.000 0.215 302 G HA3 -0.155 3.815 3.960 0.016 0.000 0.215 302 G C 1.362 176.357 174.900 0.158 0.000 1.165 302 G CA 0.587 45.709 45.100 0.037 0.000 0.784 302 G HN 0.193 nan 8.290 nan 0.000 0.535 303 V N 1.428 121.294 119.914 -0.079 0.000 2.392 303 V HA -0.049 4.081 4.120 0.016 0.000 0.249 303 V C 2.750 178.923 176.094 0.133 0.000 1.059 303 V CA 1.812 64.038 62.300 -0.124 0.000 1.051 303 V CB -0.674 30.891 31.823 -0.431 0.000 0.658 303 V HN 0.426 nan 8.190 nan 0.000 0.455 304 G N -0.940 107.967 108.800 0.179 0.000 3.262 304 G HA2 0.068 4.037 3.960 0.016 0.000 0.228 304 G HA3 0.068 4.037 3.960 0.016 0.000 0.228 304 G C 0.772 175.806 174.900 0.224 0.000 1.197 304 G CA -0.296 44.959 45.100 0.259 0.000 0.819 304 G HN 0.502 nan 8.290 nan 0.000 0.531 305 R N -1.414 119.200 120.500 0.190 0.000 3.627 305 R HA -0.238 4.112 4.340 0.016 0.000 0.281 305 R C 1.525 177.913 176.300 0.147 0.000 1.140 305 R CA 0.593 56.787 56.100 0.157 0.000 0.761 305 R CB -1.840 28.543 30.300 0.139 0.000 1.181 305 R HN 1.103 nan 8.270 nan 0.000 0.472 306 G N -0.681 108.216 108.800 0.162 0.000 2.218 306 G HA2 -0.295 3.675 3.960 0.016 0.000 0.216 306 G HA3 -0.295 3.675 3.960 0.016 0.000 0.216 306 G C 0.058 175.088 174.900 0.216 0.000 0.994 306 G CA 0.141 45.337 45.100 0.161 0.000 0.637 306 G HN 0.324 nan 8.290 nan 0.000 0.505 307 R N -0.102 120.551 120.500 0.256 0.000 2.534 307 R HA 0.706 5.055 4.340 0.016 0.000 0.301 307 R C -0.636 175.912 176.300 0.414 0.000 0.961 307 R CA -0.508 55.745 56.100 0.256 0.000 0.871 307 R CB 1.429 31.835 30.300 0.176 0.000 1.170 307 R HN 0.563 nan 8.270 nan 0.000 0.446 308 F N -0.252 119.768 119.950 0.116 0.000 2.713 308 F HA 0.696 5.233 4.527 0.016 0.000 0.311 308 F C -2.157 173.802 175.800 0.265 0.000 1.141 308 F CA -1.450 56.683 58.000 0.222 0.000 0.939 308 F CB 1.079 40.248 39.000 0.281 0.000 1.325 308 F HN 0.302 nan 8.300 nan 0.000 0.453 309 W N 1.196 122.403 121.300 -0.155 0.000 2.882 309 W HA 0.725 5.394 4.660 0.017 0.000 0.345 309 W C -1.395 175.090 176.519 -0.057 0.000 1.125 309 W CA -1.705 55.432 57.345 -0.347 0.000 1.167 309 W CB 1.990 31.271 29.460 -0.298 0.000 1.431 309 W HN 0.439 nan 8.180 nan 0.000 0.543 310 V N 3.906 123.825 119.914 0.007 0.000 2.277 310 V HA 0.002 4.132 4.120 0.016 0.000 0.269 310 V C 0.855 176.867 176.094 -0.138 0.000 1.036 310 V CA -0.398 61.825 62.300 -0.129 0.000 0.821 310 V CB 0.787 32.469 31.823 -0.235 0.000 1.052 310 V HN 0.608 nan 8.190 nan 0.000 0.462 311 M N 3.368 122.938 119.600 -0.050 0.000 2.296 311 M HA 0.083 4.572 4.480 0.016 0.000 0.265 311 M C 0.617 176.891 176.300 -0.042 0.000 1.064 311 M CA 1.632 56.943 55.300 0.017 0.000 1.109 311 M CB 0.088 32.696 32.600 0.014 0.000 1.396 311 M HN 0.588 nan 8.290 nan 0.000 0.430 312 E N 0.045 120.142 120.200 -0.171 0.000 2.241 312 E HA 0.345 4.705 4.350 0.016 0.000 0.263 312 E C -1.362 174.999 176.600 -0.397 0.000 0.882 312 E CA -0.479 55.845 56.400 -0.126 0.000 0.769 312 E CB 1.531 31.203 29.700 -0.046 0.000 1.185 312 E HN 0.013 nan 8.360 nan 0.000 0.415 313 Q N 2.522 122.176 119.800 -0.243 0.000 2.330 313 Q HA 0.162 4.512 4.340 0.016 0.000 0.269 313 Q C -1.214 174.773 176.000 -0.021 0.000 1.022 313 Q CA -0.643 54.986 55.803 -0.290 0.000 0.796 313 Q CB 1.667 30.245 28.738 -0.266 0.000 1.271 313 Q HN 0.481 nan 8.270 nan 0.000 0.450 314 Q N 5.395 125.078 119.800 -0.194 0.000 2.274 314 Q HA 0.104 4.454 4.340 0.016 0.000 0.280 314 Q C -1.768 174.456 176.000 0.373 0.000 1.047 314 Q CA -0.820 55.068 55.803 0.141 0.000 0.907 314 Q CB 0.766 29.479 28.738 -0.043 0.000 1.171 314 Q HN 0.539 nan 8.270 nan 0.000 0.381 315 P HA 0.291 nan 4.420 nan 0.000 0.291 315 P C -0.217 177.197 177.300 0.189 0.000 1.341 315 P CA 0.263 63.526 63.100 0.272 0.000 0.999 315 P CB 1.210 33.021 31.700 0.184 0.000 1.501 316 G N 0.807 109.728 108.800 0.202 0.000 2.428 316 G HA2 0.361 4.331 3.960 0.016 0.000 0.305 316 G HA3 0.361 4.331 3.960 0.016 0.000 0.305 316 G C -3.396 171.530 174.900 0.044 0.000 1.260 316 G CA -0.827 44.339 45.100 0.109 0.000 0.853 316 G HN -0.288 nan 8.290 nan 0.000 0.480 317 P HA 0.368 nan 4.420 nan 0.000 0.271 317 P C 0.475 177.598 177.300 -0.294 0.000 1.218 317 P CA 0.075 63.106 63.100 -0.116 0.000 0.780 317 P CB 1.460 33.112 31.700 -0.079 0.000 0.901 318 V N 0.053 119.703 119.914 -0.441 0.000 3.438 318 V HA 0.456 4.585 4.120 0.016 0.000 0.298 318 V C 1.316 177.133 176.094 -0.463 0.000 1.148 318 V CA -0.359 61.516 62.300 -0.709 0.000 0.994 318 V CB 1.018 32.253 31.823 -0.980 0.000 1.236 318 V HN 0.676 nan 8.190 nan 0.000 0.455 319 N N -0.753 117.729 118.700 -0.364 0.000 2.257 319 N HA 0.004 4.754 4.740 0.016 0.000 0.200 319 N C 1.332 176.794 175.510 -0.078 0.000 1.163 319 N CA 0.758 53.730 53.050 -0.131 0.000 0.891 319 N CB 0.225 38.753 38.487 0.069 0.000 1.067 319 N HN 0.986 nan 8.380 nan 0.000 0.497 320 W N 0.729 121.998 121.300 -0.051 0.000 3.211 320 W HA 0.602 5.272 4.660 0.017 0.000 0.292 320 W C -0.007 176.493 176.519 -0.033 0.000 1.268 320 W CA -0.548 56.775 57.345 -0.037 0.000 1.702 320 W CB -0.222 29.215 29.460 -0.038 0.000 1.092 320 W HN -0.021 nan 8.180 nan 0.000 0.643 321 A N 2.047 124.743 122.820 -0.207 0.000 2.264 321 A HA 0.444 4.774 4.320 0.016 0.000 0.304 321 A C -1.351 176.169 177.584 -0.107 0.000 1.100 321 A CA -1.145 50.840 52.037 -0.087 0.000 0.839 321 A CB 0.420 19.245 19.000 -0.291 0.000 1.121 321 A HN -0.150 nan 8.150 nan 0.000 0.496 322 P HA -0.059 nan 4.420 nan 0.000 0.218 322 P C -0.426 176.500 177.300 -0.624 0.000 1.149 322 P CA 1.465 64.346 63.100 -0.366 0.000 0.817 322 P CB -0.010 31.444 31.700 -0.409 0.000 0.785 323 H N -1.522 117.539 119.070 -0.015 0.000 2.667 323 H HA 0.377 4.943 4.556 0.017 0.000 0.353 323 H C -0.205 175.073 175.328 -0.082 0.000 1.072 323 H CA -0.751 55.280 56.048 -0.028 0.000 1.214 323 H CB 0.825 30.590 29.762 0.004 0.000 1.600 323 H HN -0.172 nan 8.280 nan 0.000 0.527 324 N N 4.395 123.094 118.700 -0.002 0.000 2.851 324 N HA 0.201 4.951 4.740 0.016 0.000 0.248 324 N C -2.651 172.833 175.510 -0.042 0.000 1.221 324 N CA -1.189 51.803 53.050 -0.096 0.000 0.847 324 N CB 1.499 39.877 38.487 -0.182 0.000 1.150 324 N HN 0.459 nan 8.380 nan 0.000 0.507 325 P HA 0.128 nan 4.420 nan 0.000 0.276 325 P C 0.112 177.415 177.300 0.005 0.000 1.261 325 P CA -0.342 62.766 63.100 0.014 0.000 0.800 325 P CB 0.743 32.468 31.700 0.042 0.000 1.066 326 S N 0.497 116.200 115.700 0.005 0.000 2.586 326 S HA 0.444 4.924 4.470 0.016 0.000 0.274 326 S C -2.442 172.166 174.600 0.014 0.000 1.281 326 S CA -1.532 56.671 58.200 0.005 0.000 1.035 326 S CB -0.191 63.002 63.200 -0.011 0.000 0.962 326 S HN 0.134 nan 8.310 nan 0.000 0.512 327 P HA 0.230 nan 4.420 nan 0.000 0.271 327 P C -0.867 176.333 177.300 -0.166 0.000 1.218 327 P CA -0.134 62.962 63.100 -0.007 0.000 0.780 327 P CB 0.428 32.133 31.700 0.009 0.000 0.901 328 A N 5.133 127.756 122.820 -0.329 0.000 2.386 328 A HA 0.331 4.661 4.320 0.016 0.000 0.246 328 A C -2.093 175.254 177.584 -0.396 0.000 1.089 328 A CA -1.174 50.558 52.037 -0.509 0.000 0.790 328 A CB -1.326 16.942 19.000 -1.220 0.000 1.042 328 A HN 0.415 nan 8.150 nan 0.000 0.497 329 P HA 0.257 nan 4.420 nan 0.000 0.261 329 P C 0.867 178.136 177.300 -0.052 0.000 1.203 329 P CA 1.915 64.957 63.100 -0.097 0.000 0.767 329 P CB 0.409 32.103 31.700 -0.009 0.000 0.785 330 G N 3.335 112.095 108.800 -0.067 0.000 2.213 330 G HA2 -0.281 3.689 3.960 0.016 0.000 0.226 330 G HA3 -0.281 3.689 3.960 0.016 0.000 0.226 330 G C 1.023 175.840 174.900 -0.140 0.000 0.992 330 G CA -0.065 45.017 45.100 -0.030 0.000 0.632 330 G HN 0.335 nan 8.290 nan 0.000 0.511 331 M N 0.554 119.947 119.600 -0.345 0.000 2.229 331 M HA 0.081 4.570 4.480 0.016 0.000 0.264 331 M C 2.710 178.504 176.300 -0.844 0.000 1.063 331 M CA 1.549 56.394 55.300 -0.759 0.000 1.114 331 M CB -1.156 30.787 32.600 -1.094 0.000 1.387 331 M HN 0.225 nan 8.290 nan 0.000 0.420 332 V N 0.091 119.768 119.914 -0.395 0.000 2.407 332 V HA -0.263 3.867 4.120 0.016 0.000 0.248 332 V C 2.541 178.701 176.094 0.110 0.000 1.055 332 V CA 1.974 64.286 62.300 0.020 0.000 1.049 332 V CB -0.899 30.973 31.823 0.081 0.000 0.662 332 V HN 0.464 nan 8.190 nan 0.000 0.455 333 R N 0.139 120.664 120.500 0.042 0.000 2.066 333 R HA -0.129 4.221 4.340 0.016 0.000 0.232 333 R C 2.376 178.811 176.300 0.224 0.000 1.131 333 R CA 1.752 57.939 56.100 0.145 0.000 0.955 333 R CB -0.396 30.002 30.300 0.163 0.000 0.851 333 R HN 0.499 nan 8.270 nan 0.000 0.432 334 L N 0.093 121.377 121.223 0.101 0.000 1.989 334 L HA -0.211 4.139 4.340 0.016 0.000 0.211 334 L C 2.008 178.950 176.870 0.119 0.000 1.071 334 L CA 1.518 56.433 54.840 0.125 0.000 0.749 334 L CB -0.410 41.583 42.059 -0.110 0.000 0.890 334 L HN 0.360 nan 8.230 nan 0.000 0.431 335 W N 0.109 121.455 121.300 0.077 0.000 2.342 335 W HA -0.164 4.506 4.660 0.017 0.000 0.297 335 W C 2.599 179.153 176.519 0.058 0.000 1.213 335 W CA 1.598 58.989 57.345 0.076 0.000 1.251 335 W CB -1.747 27.779 29.460 0.110 0.000 1.136 335 W HN 0.245 nan 8.180 nan 0.000 0.526 336 T N -1.053 113.672 114.554 0.285 0.000 2.674 336 T HA -0.239 4.121 4.350 0.016 0.000 0.265 336 T C 1.535 176.252 174.700 0.028 0.000 1.039 336 T CA 1.776 63.925 62.100 0.081 0.000 1.150 336 T CB -0.853 68.039 68.868 0.039 0.000 0.864 336 T HN 0.159 nan 8.240 nan 0.000 0.427 337 W N 1.574 122.971 121.300 0.162 0.000 2.374 337 W HA -0.036 4.634 4.660 0.016 0.000 0.288 337 W C 2.549 179.163 176.519 0.159 0.000 1.218 337 W CA 0.817 58.312 57.345 0.250 0.000 1.245 337 W CB 0.007 29.755 29.460 0.480 0.000 1.126 337 W HN 0.399 nan 8.180 nan 0.000 0.545 338 E N 0.415 120.685 120.200 0.116 0.000 2.051 338 E HA -0.230 4.130 4.350 0.016 0.000 0.192 338 E C 2.282 178.935 176.600 0.088 0.000 0.991 338 E CA 1.544 57.799 56.400 -0.242 0.000 0.799 338 E CB -0.313 29.120 29.700 -0.445 0.000 0.748 338 E HN 0.143 nan 8.360 nan 0.000 0.449 339 A N 1.211 124.007 122.820 -0.040 0.000 1.883 339 A HA -0.182 4.147 4.320 0.016 0.000 0.217 339 A C 2.250 179.721 177.584 -0.189 0.000 1.186 339 A CA 1.467 53.265 52.037 -0.398 0.000 0.624 339 A CB -0.803 18.010 19.000 -0.312 0.000 0.822 339 A HN 0.340 nan 8.150 nan 0.000 0.444 340 L N -0.867 120.287 121.223 -0.115 0.000 2.046 340 L HA -0.202 4.148 4.340 0.016 0.000 0.208 340 L C 3.081 179.905 176.870 -0.076 0.000 1.077 340 L CA 1.064 55.841 54.840 -0.106 0.000 0.747 340 L CB -0.569 41.458 42.059 -0.053 0.000 0.896 340 L HN 0.444 nan 8.230 nan 0.000 0.432 341 A N -1.168 121.571 122.820 -0.136 0.000 1.972 341 A HA -0.209 4.121 4.320 0.016 0.000 0.219 341 A C 1.946 179.385 177.584 -0.242 0.000 1.169 341 A CA 1.254 52.977 52.037 -0.523 0.000 0.635 341 A CB -0.747 17.770 19.000 -0.804 0.000 0.810 341 A HN 0.462 nan 8.150 nan 0.000 0.446 342 H N -1.254 117.799 119.070 -0.028 0.000 2.543 342 H HA 0.197 4.763 4.556 0.016 0.000 0.269 342 H C 1.557 177.031 175.328 0.243 0.000 1.005 342 H CA 0.673 56.795 56.048 0.122 0.000 1.146 342 H CB 0.048 29.935 29.762 0.209 0.000 1.353 342 H HN 0.664 nan 8.280 nan 0.000 0.595 343 G N 0.510 109.402 108.800 0.153 0.000 2.159 343 G HA2 -0.248 3.722 3.960 0.016 0.000 0.227 343 G HA3 -0.248 3.722 3.960 0.016 0.000 0.227 343 G C 0.494 175.245 174.900 -0.250 0.000 0.986 343 G CA 0.025 45.178 45.100 0.088 0.000 0.651 343 G HN 0.604 nan 8.290 nan 0.000 0.523 344 A N 0.213 122.687 122.820 -0.578 0.000 2.524 344 A HA 0.573 4.903 4.320 0.016 0.000 0.250 344 A C 1.159 178.313 177.584 -0.717 0.000 1.078 344 A CA 1.203 52.550 52.037 -1.150 0.000 0.761 344 A CB 0.167 18.645 19.000 -0.871 0.000 1.012 344 A HN 0.520 nan 8.150 nan 0.000 0.500 345 E N 1.130 120.879 120.200 -0.752 0.000 2.106 345 E HA -0.007 4.353 4.350 0.016 0.000 0.192 345 E C -0.180 175.862 176.600 -0.930 0.000 0.984 345 E CA 1.085 57.069 56.400 -0.693 0.000 0.806 345 E CB 0.099 29.427 29.700 -0.619 0.000 0.750 345 E HN 0.522 nan 8.360 nan 0.000 0.458 346 V N 0.575 119.721 119.914 -1.280 0.000 2.888 346 V HA 0.253 4.383 4.120 0.016 0.000 0.309 346 V C -0.800 174.810 176.094 -0.807 0.000 1.114 346 V CA -0.846 60.720 62.300 -1.224 0.000 0.940 346 V CB 2.405 32.949 31.823 -2.132 0.000 1.021 346 V HN -0.228 nan 8.190 nan 0.000 0.426 347 V N 2.713 122.255 119.914 -0.620 0.000 2.349 347 V HA 0.504 4.634 4.120 0.016 0.000 0.284 347 V C 0.011 175.756 176.094 -0.582 0.000 1.014 347 V CA -0.255 61.721 62.300 -0.541 0.000 0.826 347 V CB 1.647 33.160 31.823 -0.518 0.000 1.009 347 V HN 0.876 nan 8.190 nan 0.000 0.431 348 S N 5.205 120.639 115.700 -0.444 0.000 2.437 348 S HA 0.687 5.167 4.470 0.016 0.000 0.305 348 S C -0.881 173.563 174.600 -0.259 0.000 1.109 348 S CA -0.412 57.619 58.200 -0.282 0.000 1.099 348 S CB 0.492 63.656 63.200 -0.060 0.000 1.004 348 S HN 0.476 nan 8.310 nan 0.000 0.475 349 Y N 3.347 123.695 120.300 0.080 0.000 2.299 349 Y HA 0.451 5.011 4.550 0.016 0.000 0.326 349 Y C -0.167 175.883 175.900 0.249 0.000 1.164 349 Y CA -0.704 57.482 58.100 0.143 0.000 1.234 349 Y CB 0.682 39.228 38.460 0.143 0.000 1.219 349 Y HN 0.672 nan 8.280 nan 0.000 0.497 350 F N 5.467 125.622 119.950 0.342 0.000 2.375 350 F HA 0.582 5.119 4.527 0.016 0.000 0.361 350 F C -0.317 175.740 175.800 0.428 0.000 1.117 350 F CA -0.753 57.468 58.000 0.369 0.000 1.037 350 F CB 0.352 39.569 39.000 0.361 0.000 1.192 350 F HN 0.588 nan 8.300 nan 0.000 0.452 351 R N 4.308 124.825 120.500 0.029 0.000 2.885 351 R HA 0.240 4.590 4.340 0.016 0.000 0.260 351 R C 0.556 176.997 176.300 0.235 0.000 1.107 351 R CA -0.917 55.128 56.100 -0.091 0.000 0.978 351 R CB 0.425 30.390 30.300 -0.560 0.000 1.227 351 R HN 0.741 nan 8.270 nan 0.000 0.473 352 W N 1.160 122.556 121.300 0.161 0.000 2.333 352 W HA -0.061 4.609 4.660 0.016 0.000 0.316 352 W C -0.033 176.619 176.519 0.222 0.000 1.215 352 W CA 1.416 58.883 57.345 0.203 0.000 1.278 352 W CB 0.342 29.918 29.460 0.194 0.000 1.154 352 W HN 0.516 nan 8.180 nan 0.000 0.486 353 R N 0.943 121.586 120.500 0.238 0.000 2.604 353 R HA 0.124 4.474 4.340 0.016 0.000 0.281 353 R C -0.573 175.894 176.300 0.278 0.000 1.020 353 R CA -0.587 55.542 56.100 0.047 0.000 0.899 353 R CB 1.571 31.690 30.300 -0.303 0.000 1.205 353 R HN -0.046 nan 8.270 nan 0.000 0.450 354 Q N 2.692 122.592 119.800 0.167 0.000 2.274 354 Q HA 0.194 4.543 4.340 0.016 0.000 0.280 354 Q C -0.844 175.306 176.000 0.250 0.000 1.047 354 Q CA 0.114 56.024 55.803 0.178 0.000 0.907 354 Q CB 0.896 29.698 28.738 0.107 0.000 1.171 354 Q HN 0.653 nan 8.270 nan 0.000 0.381 355 A N 6.230 129.089 122.820 0.064 0.000 2.401 355 A HA 0.300 4.630 4.320 0.016 0.000 0.259 355 A C -1.843 175.530 177.584 -0.352 0.000 1.103 355 A CA -1.244 50.606 52.037 -0.312 0.000 0.789 355 A CB 0.322 18.948 19.000 -0.623 0.000 1.035 355 A HN 0.780 nan 8.150 nan 0.000 0.491 356 P HA 0.137 nan 4.420 nan 0.000 0.255 356 P C -0.400 176.808 177.300 -0.153 0.000 1.248 356 P CA 0.484 63.473 63.100 -0.185 0.000 0.807 356 P CB -0.286 31.418 31.700 0.008 0.000 1.150 357 F N -2.323 117.578 119.950 -0.082 0.000 2.675 357 F HA 0.809 5.346 4.527 0.016 0.000 0.324 357 F C -0.061 175.658 175.800 -0.136 0.000 1.106 357 F CA -1.233 56.703 58.000 -0.107 0.000 0.970 357 F CB 0.620 39.535 39.000 -0.141 0.000 1.385 357 F HN 0.042 nan 8.300 nan 0.000 0.489 358 A N 0.762 123.702 122.820 0.199 0.000 6.506 358 A HA -0.221 4.109 4.320 0.016 0.000 0.234 358 A C 0.821 178.406 177.584 0.002 0.000 2.257 358 A CA 0.805 52.886 52.037 0.074 0.000 0.695 358 A CB -1.854 17.198 19.000 0.086 0.000 0.929 358 A HN 1.003 nan 8.150 nan 0.000 0.364 359 Q N -0.480 119.303 119.800 -0.028 0.000 2.112 359 Q HA -0.132 4.217 4.340 0.016 0.000 0.206 359 Q C 1.283 177.288 176.000 0.010 0.000 0.987 359 Q CA 2.367 58.156 55.803 -0.023 0.000 0.858 359 Q CB -0.104 28.602 28.738 -0.053 0.000 0.905 359 Q HN 0.725 nan 8.270 nan 0.000 0.420 360 E N 0.169 120.372 120.200 0.005 0.000 2.411 360 E HA -0.017 4.343 4.350 0.016 0.000 0.204 360 E C 0.888 177.520 176.600 0.054 0.000 1.059 360 E CA -0.159 56.285 56.400 0.074 0.000 1.112 360 E CB 0.174 29.939 29.700 0.109 0.000 1.168 360 E HN 0.457 nan 8.360 nan 0.000 0.445 361 Q N 0.011 119.809 119.800 -0.002 0.000 2.291 361 Q HA -0.103 4.247 4.340 0.016 0.000 0.206 361 Q C 1.440 177.456 176.000 0.027 0.000 0.976 361 Q CA 0.930 56.715 55.803 -0.030 0.000 0.875 361 Q CB 0.011 28.726 28.738 -0.038 0.000 0.927 361 Q HN 0.223 nan 8.270 nan 0.000 0.450 362 M N 0.408 120.039 119.600 0.052 0.000 2.495 362 M HA 0.115 4.605 4.480 0.016 0.000 0.237 362 M C 0.188 176.532 176.300 0.073 0.000 1.131 362 M CA 0.313 55.639 55.300 0.045 0.000 1.032 362 M CB -0.400 32.209 32.600 0.016 0.000 1.513 362 M HN 0.195 nan 8.290 nan 0.000 0.488 363 H N 1.595 120.691 119.070 0.044 0.000 2.782 363 H HA 0.512 5.077 4.556 0.016 0.000 0.285 363 H C -0.622 174.769 175.328 0.105 0.000 1.093 363 H CA -0.378 55.725 56.048 0.092 0.000 1.410 363 H CB 0.686 30.562 29.762 0.190 0.000 1.439 363 H HN 0.210 nan 8.280 nan 0.000 0.469 364 A N 3.564 126.490 122.820 0.177 0.000 2.386 364 A HA 0.512 4.841 4.320 0.016 0.000 0.246 364 A C 0.734 178.498 177.584 0.301 0.000 1.089 364 A CA 0.403 52.547 52.037 0.179 0.000 0.790 364 A CB 0.205 19.245 19.000 0.068 0.000 1.042 364 A HN 0.842 nan 8.150 nan 0.000 0.497 365 G N -1.664 107.229 108.800 0.155 0.000 3.022 365 G HA2 0.472 4.442 3.960 0.016 0.000 0.284 365 G HA3 0.472 4.442 3.960 0.016 0.000 0.284 365 G C 0.350 175.244 174.900 -0.010 0.000 1.375 365 G CA -0.638 44.535 45.100 0.122 0.000 0.902 365 G HN 0.584 nan 8.290 nan 0.000 0.538 366 L N -0.554 120.619 121.223 -0.083 0.000 2.291 366 L HA 0.131 4.480 4.340 0.016 0.000 0.214 366 L C 0.456 176.936 176.870 -0.651 0.000 1.120 366 L CA 0.864 55.521 54.840 -0.306 0.000 0.799 366 L CB -0.330 41.563 42.059 -0.277 0.000 0.925 366 L HN 0.373 nan 8.230 nan 0.000 0.446 367 H N -1.743 117.072 119.070 -0.425 0.000 2.821 367 H HA 0.462 5.028 4.556 0.016 0.000 0.373 367 H C -0.326 174.846 175.328 -0.260 0.000 1.165 367 H CA -0.896 54.878 56.048 -0.456 0.000 1.154 367 H CB 1.074 30.416 29.762 -0.700 0.000 1.765 367 H HN -0.098 nan 8.280 nan 0.000 0.549 368 R N 1.862 122.304 120.500 -0.097 0.000 2.652 368 R HA 0.115 4.465 4.340 0.016 0.000 0.271 368 R C -1.656 174.624 176.300 -0.034 0.000 1.129 368 R CA -1.538 54.536 56.100 -0.045 0.000 1.200 368 R CB -0.096 30.180 30.300 -0.039 0.000 1.146 368 R HN 0.445 nan 8.270 nan 0.000 0.581 369 P HA -0.148 nan 4.420 nan 0.000 0.219 369 P C 0.041 177.357 177.300 0.026 0.000 1.146 369 P CA 1.263 64.405 63.100 0.070 0.000 0.808 369 P CB 0.044 31.800 31.700 0.093 0.000 0.779 370 D N -2.401 117.995 120.400 -0.006 0.000 2.319 370 D HA 0.060 4.710 4.640 0.016 0.000 0.230 370 D C 0.391 176.649 176.300 -0.070 0.000 1.094 370 D CA -0.054 53.937 54.000 -0.015 0.000 0.856 370 D CB -0.678 40.119 40.800 -0.004 0.000 0.915 370 D HN -0.108 nan 8.370 nan 0.000 0.517 371 S N -2.040 113.579 115.700 -0.134 0.000 2.857 371 S HA -0.197 4.283 4.470 0.016 0.000 0.268 371 S C 0.790 175.299 174.600 -0.152 0.000 1.297 371 S CA 0.551 58.623 58.200 -0.213 0.000 1.280 371 S CB -1.799 61.274 63.200 -0.211 0.000 1.562 371 S HN 0.905 nan 8.310 nan 0.000 0.661 372 A N 2.438 125.196 122.820 -0.104 0.000 2.462 372 A HA 0.513 4.843 4.320 0.016 0.000 0.243 372 A C -1.781 175.697 177.584 -0.176 0.000 1.076 372 A CA -0.890 51.085 52.037 -0.103 0.000 0.773 372 A CB -0.005 18.960 19.000 -0.060 0.000 1.010 372 A HN 0.260 nan 8.150 nan 0.000 0.493 373 P HA 0.095 nan 4.420 nan 0.000 0.271 373 P C -0.709 176.338 177.300 -0.423 0.000 1.216 373 P CA 0.035 62.677 63.100 -0.763 0.000 0.771 373 P CB 0.862 31.835 31.700 -1.212 0.000 0.864 374 D N 0.978 121.106 120.400 -0.453 0.000 2.478 374 D HA 0.069 4.719 4.640 0.016 0.000 0.263 374 D C 1.337 177.596 176.300 -0.068 0.000 1.153 374 D CA -0.559 53.338 54.000 -0.172 0.000 1.038 374 D CB 0.955 41.662 40.800 -0.155 0.000 1.120 374 D HN 0.332 nan 8.370 nan 0.000 0.564 375 Q N 0.081 119.912 119.800 0.051 0.000 2.135 375 Q HA -0.131 4.219 4.340 0.016 0.000 0.204 375 Q C 1.731 177.760 176.000 0.048 0.000 0.981 375 Q CA 2.037 57.922 55.803 0.137 0.000 0.856 375 Q CB -0.458 28.322 28.738 0.071 0.000 0.902 375 Q HN 0.661 nan 8.270 nan 0.000 0.425 376 G N -0.001 108.765 108.800 -0.057 0.000 2.450 376 G HA2 -0.298 3.672 3.960 0.016 0.000 0.220 376 G HA3 -0.298 3.672 3.960 0.016 0.000 0.220 376 G C 1.119 175.857 174.900 -0.270 0.000 1.130 376 G CA 0.668 45.685 45.100 -0.138 0.000 0.760 376 G HN 0.486 nan 8.290 nan 0.000 0.557 377 F N 1.099 120.747 119.950 -0.504 0.000 2.069 377 F HA -0.026 4.511 4.527 0.016 0.000 0.298 377 F C 2.275 177.766 175.800 -0.514 0.000 1.113 377 F CA 1.423 59.022 58.000 -0.669 0.000 1.214 377 F CB -0.281 38.084 39.000 -1.058 0.000 0.978 377 F HN 0.120 nan 8.300 nan 0.000 0.474 378 F N 1.061 120.952 119.950 -0.098 0.000 2.171 378 F HA -0.140 4.397 4.527 0.016 0.000 0.300 378 F C 2.435 178.126 175.800 -0.181 0.000 1.090 378 F CA 1.681 59.600 58.000 -0.135 0.000 1.293 378 F CB -1.093 37.911 39.000 0.007 0.000 1.013 378 F HN 0.087 nan 8.300 nan 0.000 0.486 379 E N -0.046 120.150 120.200 -0.007 0.000 2.106 379 E HA -0.130 4.229 4.350 0.016 0.000 0.192 379 E C 2.420 178.964 176.600 -0.094 0.000 0.984 379 E CA 0.892 57.279 56.400 -0.021 0.000 0.806 379 E CB -0.282 29.409 29.700 -0.015 0.000 0.750 379 E HN 0.367 nan 8.360 nan 0.000 0.458 380 A N 1.733 124.397 122.820 -0.259 0.000 1.897 380 A HA -0.185 4.144 4.320 0.016 0.000 0.215 380 A C 2.055 179.501 177.584 -0.229 0.000 1.181 380 A CA 1.357 53.235 52.037 -0.264 0.000 0.620 380 A CB -0.303 18.349 19.000 -0.580 0.000 0.821 380 A HN 0.042 nan 8.150 nan 0.000 0.443 381 K N -0.446 119.721 120.400 -0.389 0.000 2.063 381 K HA -0.237 4.092 4.320 0.016 0.000 0.208 381 K C 2.271 178.801 176.600 -0.118 0.000 1.048 381 K CA 1.744 57.836 56.287 -0.325 0.000 0.928 381 K CB -0.141 32.064 32.500 -0.491 0.000 0.713 381 K HN 0.299 nan 8.250 nan 0.000 0.442 382 R N 0.633 121.099 120.500 -0.057 0.000 2.081 382 R HA -0.082 4.268 4.340 0.016 0.000 0.235 382 R C 1.908 178.258 176.300 0.084 0.000 1.131 382 R CA 1.637 57.762 56.100 0.041 0.000 0.960 382 R CB -0.661 29.686 30.300 0.079 0.000 0.856 382 R HN 0.083 nan 8.270 nan 0.000 0.436 383 V N 0.902 120.839 119.914 0.038 0.000 2.427 383 V HA -0.160 3.970 4.120 0.016 0.000 0.248 383 V C 2.365 178.421 176.094 -0.064 0.000 1.051 383 V CA 1.779 64.067 62.300 -0.021 0.000 1.048 383 V CB -0.900 30.789 31.823 -0.224 0.000 0.666 383 V HN 0.550 nan 8.190 nan 0.000 0.456 384 A N 0.006 122.790 122.820 -0.060 0.000 1.902 384 A HA -0.233 4.096 4.320 0.016 0.000 0.217 384 A C 2.173 179.765 177.584 0.012 0.000 1.181 384 A CA 1.851 53.858 52.037 -0.049 0.000 0.623 384 A CB -0.422 18.543 19.000 -0.057 0.000 0.818 384 A HN 0.632 nan 8.150 nan 0.000 0.443 385 E N -0.228 119.994 120.200 0.037 0.000 2.106 385 E HA -0.185 4.175 4.350 0.016 0.000 0.192 385 E C 1.964 178.637 176.600 0.122 0.000 0.984 385 E CA 1.302 57.742 56.400 0.067 0.000 0.806 385 E CB -0.186 29.551 29.700 0.061 0.000 0.750 385 E HN 0.748 nan 8.360 nan 0.000 0.458 386 E N 0.639 120.955 120.200 0.195 0.000 2.072 386 E HA -0.155 4.205 4.350 0.016 0.000 0.190 386 E C 2.073 178.906 176.600 0.389 0.000 0.982 386 E CA 0.465 57.053 56.400 0.314 0.000 0.803 386 E CB -0.018 29.989 29.700 0.512 0.000 0.755 386 E HN 0.071 nan 8.360 nan 0.000 0.453 387 L N 1.164 122.588 121.223 0.335 0.000 2.083 387 L HA -0.085 4.265 4.340 0.016 0.000 0.209 387 L C 2.198 179.181 176.870 0.188 0.000 1.083 387 L CA 1.780 56.783 54.840 0.272 0.000 0.752 387 L CB -0.657 41.380 42.059 -0.037 0.000 0.899 387 L HN 0.037 nan 8.230 nan 0.000 0.433 388 A N -0.548 122.343 122.820 0.119 0.000 1.940 388 A HA -0.128 4.201 4.320 0.016 0.000 0.219 388 A C 2.270 179.919 177.584 0.108 0.000 1.176 388 A CA 1.805 53.894 52.037 0.087 0.000 0.631 388 A CB -0.967 18.068 19.000 0.060 0.000 0.814 388 A HN 0.547 nan 8.150 nan 0.000 0.446 389 A N -1.532 121.369 122.820 0.135 0.000 2.275 389 A HA 0.525 4.854 4.320 0.016 0.000 0.212 389 A C 0.696 178.381 177.584 0.167 0.000 1.201 389 A CA 0.071 52.183 52.037 0.124 0.000 0.843 389 A CB -0.119 18.939 19.000 0.097 0.000 0.873 389 A HN 0.366 nan 8.150 nan 0.000 0.492 390 L N 0.890 122.261 121.223 0.247 0.000 2.556 390 L HA 0.443 4.793 4.340 0.016 0.000 0.243 390 L C 0.344 177.451 176.870 0.395 0.000 1.331 390 L CA -0.635 54.423 54.840 0.363 0.000 0.927 390 L CB 1.029 43.333 42.059 0.408 0.000 1.219 390 L HN 0.222 nan 8.230 nan 0.000 0.490 391 A N 2.535 125.514 122.820 0.265 0.000 2.540 391 A HA 0.430 4.760 4.320 0.016 0.000 0.239 391 A C 0.008 177.642 177.584 0.082 0.000 1.061 391 A CA 0.119 52.243 52.037 0.145 0.000 0.758 391 A CB 0.168 19.218 19.000 0.082 0.000 0.991 391 A HN 0.580 nan 8.150 nan 0.000 0.502 392 L N 3.568 124.778 121.223 -0.022 0.000 2.334 392 L HA 0.385 4.735 4.340 0.016 0.000 0.277 392 L C -1.907 174.736 176.870 -0.379 0.000 1.075 392 L CA -1.878 52.813 54.840 -0.248 0.000 0.804 392 L CB 0.909 42.952 42.059 -0.028 0.000 1.174 392 L HN 0.503 nan 8.230 nan 0.000 0.438 393 P HA 0.199 nan 4.420 nan 0.000 0.273 393 P C -2.531 174.606 177.300 -0.272 0.000 1.250 393 P CA -0.998 61.815 63.100 -0.479 0.000 0.793 393 P CB -0.124 31.171 31.700 -0.676 0.000 1.011 394 P HA 0.044 nan 4.420 nan 0.000 0.274 394 P C -0.749 176.493 177.300 -0.098 0.000 1.237 394 P CA -0.027 63.004 63.100 -0.115 0.000 0.793 394 P CB 0.527 32.177 31.700 -0.084 0.000 0.977 395 V N 1.658 121.537 119.914 -0.060 0.000 2.508 395 V HA 0.316 4.446 4.120 0.016 0.000 0.281 395 V C 0.983 177.061 176.094 -0.027 0.000 1.041 395 V CA 0.061 62.340 62.300 -0.034 0.000 1.016 395 V CB 0.151 31.979 31.823 0.007 0.000 0.984 395 V HN 0.759 nan 8.190 nan 0.000 0.478 396 A N 4.460 127.262 122.820 -0.030 0.000 2.256 396 A HA 0.542 4.872 4.320 0.016 0.000 0.318 396 A C 0.020 177.594 177.584 -0.018 0.000 1.103 396 A CA -0.604 51.414 52.037 -0.031 0.000 0.860 396 A CB 0.631 19.608 19.000 -0.038 0.000 1.182 396 A HN 0.784 nan 8.150 nan 0.000 0.501 397 Q N 0.420 120.196 119.800 -0.040 0.000 2.311 397 Q HA 0.418 4.768 4.340 0.016 0.000 0.272 397 Q C 0.266 176.262 176.000 -0.007 0.000 1.012 397 Q CA -0.080 55.694 55.803 -0.048 0.000 0.891 397 Q CB 0.571 29.198 28.738 -0.185 0.000 1.201 397 Q HN 0.879 nan 8.270 nan 0.000 0.391 398 A N 5.773 128.653 122.820 0.100 0.000 2.366 398 A HA 0.241 4.571 4.320 0.016 0.000 0.249 398 A C -1.682 175.989 177.584 0.144 0.000 1.084 398 A CA -1.067 51.036 52.037 0.110 0.000 0.794 398 A CB -0.052 19.020 19.000 0.121 0.000 1.034 398 A HN 0.811 nan 8.150 nan 0.000 0.491 399 P HA 0.028 nan 4.420 nan 0.000 0.222 399 P C -0.002 177.310 177.300 0.019 0.000 1.153 399 P CA 0.872 64.000 63.100 0.047 0.000 0.798 399 P CB 0.061 31.766 31.700 0.008 0.000 0.796 400 V N 0.139 119.991 119.914 -0.102 0.000 2.604 400 V HA 0.667 4.797 4.120 0.016 0.000 0.305 400 V C -0.048 175.776 176.094 -0.449 0.000 1.043 400 V CA -1.106 60.936 62.300 -0.430 0.000 0.888 400 V CB 1.783 33.208 31.823 -0.663 0.000 0.995 400 V HN 0.061 nan 8.190 nan 0.000 0.429 401 A N 4.391 126.774 122.820 -0.730 0.000 2.337 401 A HA 0.893 5.223 4.320 0.016 0.000 0.329 401 A C -1.040 176.294 177.584 -0.415 0.000 1.146 401 A CA -0.554 51.000 52.037 -0.806 0.000 0.800 401 A CB 1.270 19.421 19.000 -1.416 0.000 1.220 401 A HN 0.901 nan 8.150 nan 0.000 0.472 402 L N 3.392 124.469 121.223 -0.243 0.000 2.319 402 L HA 0.554 4.904 4.340 0.016 0.000 0.281 402 L C -1.147 175.700 176.870 -0.037 0.000 1.005 402 L CA -0.740 54.035 54.840 -0.108 0.000 0.828 402 L CB 1.620 43.689 42.059 0.018 0.000 1.227 402 L HN 0.441 nan 8.230 nan 0.000 0.415 403 V N 5.908 125.810 119.914 -0.019 0.000 2.372 403 V HA 0.159 4.289 4.120 0.016 0.000 0.261 403 V C -0.122 176.050 176.094 0.130 0.000 1.055 403 V CA -0.010 62.320 62.300 0.050 0.000 0.930 403 V CB 0.420 32.304 31.823 0.102 0.000 1.031 403 V HN 0.500 nan 8.190 nan 0.000 0.479 404 F N 4.394 124.358 119.950 0.024 0.000 2.425 404 F HA 0.691 5.227 4.527 0.016 0.000 0.331 404 F C -0.177 175.663 175.800 0.066 0.000 1.085 404 F CA -0.490 57.558 58.000 0.079 0.000 1.028 404 F CB 1.705 40.728 39.000 0.038 0.000 1.177 404 F HN 0.500 nan 8.300 nan 0.000 0.487 405 D N 3.416 123.559 120.400 -0.428 0.000 2.890 405 D HA 0.188 4.838 4.640 0.016 0.000 0.233 405 D C -0.242 175.653 176.300 -0.674 0.000 1.306 405 D CA -0.295 53.500 54.000 -0.341 0.000 0.929 405 D CB 0.848 41.475 40.800 -0.288 0.000 1.512 405 D HN 0.434 nan 8.370 nan 0.000 0.568 406 Y N 1.751 121.839 120.300 -0.353 0.000 2.242 406 Y HA -0.048 4.512 4.550 0.016 0.000 0.291 406 Y C 2.222 177.331 175.900 -1.318 0.000 1.137 406 Y CA 1.285 58.986 58.100 -0.666 0.000 1.181 406 Y CB 0.047 38.196 38.460 -0.519 0.000 0.989 406 Y HN 0.570 nan 8.280 nan 0.000 0.527 407 E N 0.183 119.799 120.200 -0.974 0.000 2.118 407 E HA -0.241 4.118 4.350 0.016 0.000 0.195 407 E C 2.338 178.550 176.600 -0.648 0.000 0.992 407 E CA 1.040 56.934 56.400 -0.843 0.000 0.804 407 E CB -0.187 29.291 29.700 -0.369 0.000 0.741 407 E HN 0.426 nan 8.360 nan 0.000 0.458 408 A N 1.117 123.488 122.820 -0.748 0.000 1.908 408 A HA -0.150 4.180 4.320 0.016 0.000 0.218 408 A C 2.396 179.363 177.584 -1.029 0.000 1.181 408 A CA 1.850 53.328 52.037 -0.930 0.000 0.627 408 A CB -0.814 17.587 19.000 -0.998 0.000 0.818 408 A HN 0.425 nan 8.150 nan 0.000 0.445 409 A N -1.027 121.183 122.820 -1.016 0.000 1.902 409 A HA -0.150 4.180 4.320 0.016 0.000 0.217 409 A C 1.987 179.523 177.584 -0.081 0.000 1.181 409 A CA 1.528 53.275 52.037 -0.483 0.000 0.623 409 A CB -0.809 18.028 19.000 -0.272 0.000 0.818 409 A HN 0.755 nan 8.150 nan 0.000 0.443 410 W N -0.111 121.094 121.300 -0.158 0.000 2.358 410 W HA -0.047 4.624 4.660 0.019 0.000 0.303 410 W C 2.092 178.649 176.519 0.063 0.000 1.208 410 W CA 0.274 57.621 57.345 0.005 0.000 1.274 410 W CB -1.270 28.242 29.460 0.087 0.000 1.138 410 W HN 0.283 nan 8.180 nan 0.000 0.515 411 I N -0.972 119.601 120.570 0.006 0.000 2.179 411 I HA -0.344 3.835 4.170 0.016 0.000 0.242 411 I C 2.171 178.263 176.117 -0.041 0.000 1.088 411 I CA 1.665 62.843 61.300 -0.203 0.000 1.357 411 I CB -0.746 36.794 38.000 -0.765 0.000 1.051 411 I HN -0.067 nan 8.210 nan 0.000 0.409 412 Y N 0.329 120.675 120.300 0.076 0.000 2.439 412 Y HA -0.181 4.379 4.550 0.016 0.000 0.292 412 Y C 2.585 178.619 175.900 0.223 0.000 1.130 412 Y CA 0.548 58.729 58.100 0.134 0.000 1.254 412 Y CB -0.089 38.548 38.460 0.294 0.000 1.000 412 Y HN 0.257 nan 8.280 nan 0.000 0.554 413 E N 0.351 120.767 120.200 0.361 0.000 2.107 413 E HA -0.131 4.228 4.350 0.016 0.000 0.191 413 E C 1.929 178.736 176.600 0.345 0.000 0.982 413 E CA 1.130 57.727 56.400 0.328 0.000 0.809 413 E CB -0.019 29.849 29.700 0.281 0.000 0.756 413 E HN 0.226 nan 8.360 nan 0.000 0.459 414 V N 0.482 120.632 119.914 0.393 0.000 2.453 414 V HA -0.116 4.014 4.120 0.016 0.000 0.247 414 V C 1.443 177.669 176.094 0.221 0.000 1.048 414 V CA 1.507 63.992 62.300 0.310 0.000 1.049 414 V CB -0.076 31.962 31.823 0.358 0.000 0.672 414 V HN 0.312 nan 8.190 nan 0.000 0.457 415 Q N -0.082 119.898 119.800 0.299 0.000 3.429 415 Q HA 0.203 4.553 4.340 0.016 0.000 0.237 415 Q C -2.036 174.082 176.000 0.197 0.000 0.932 415 Q CA -1.341 54.598 55.803 0.227 0.000 0.731 415 Q CB 1.952 30.866 28.738 0.293 0.000 1.383 415 Q HN 0.294 nan 8.270 nan 0.000 0.446 416 P HA -0.168 nan 4.420 nan 0.000 0.219 416 P C 0.575 177.929 177.300 0.089 0.000 1.150 416 P CA 0.950 64.138 63.100 0.148 0.000 0.814 416 P CB 0.475 32.310 31.700 0.224 0.000 0.787 417 Q N -0.705 119.184 119.800 0.149 0.000 2.151 417 Q HA -0.176 4.174 4.340 0.016 0.000 0.161 417 Q C 0.228 176.381 176.000 0.255 0.000 0.610 417 Q CA 1.857 57.780 55.803 0.200 0.000 1.451 417 Q CB -2.149 26.762 28.738 0.289 0.000 1.538 417 Q HN 0.452 nan 8.270 nan 0.000 0.864 418 G N -1.695 107.283 108.800 0.297 0.000 2.732 418 G HA2 0.689 4.659 3.960 0.016 0.000 0.295 418 G HA3 0.689 4.659 3.960 0.016 0.000 0.295 418 G C 0.465 175.487 174.900 0.203 0.000 1.456 418 G CA 0.026 45.297 45.100 0.284 0.000 1.050 418 G HN 0.562 nan 8.290 nan 0.000 0.525 419 A N 1.899 124.791 122.820 0.120 0.000 1.948 419 A HA -0.038 4.292 4.320 0.016 0.000 0.220 419 A C 1.803 179.414 177.584 0.045 0.000 1.177 419 A CA 1.926 54.012 52.037 0.082 0.000 0.636 419 A CB -0.067 18.964 19.000 0.051 0.000 0.815 419 A HN 0.559 nan 8.150 nan 0.000 0.449 420 E N -1.339 118.855 120.200 -0.009 0.000 2.489 420 E HA 0.021 4.381 4.350 0.016 0.000 0.193 420 E C 0.290 176.723 176.600 -0.278 0.000 1.057 420 E CA -0.363 55.950 56.400 -0.144 0.000 0.866 420 E CB -0.044 29.523 29.700 -0.223 0.000 0.916 420 E HN 0.692 nan 8.360 nan 0.000 0.500 421 W N 1.769 122.911 121.300 -0.264 0.000 2.308 421 W HA 0.253 4.922 4.660 0.016 0.000 0.324 421 W C -0.407 176.021 176.519 -0.152 0.000 1.387 421 W CA 0.353 57.505 57.345 -0.322 0.000 1.250 421 W CB 0.773 30.103 29.460 -0.216 0.000 1.257 421 W HN -0.131 nan 8.180 nan 0.000 0.554 422 S N 6.060 121.368 115.700 -0.653 0.000 2.733 422 S HA 0.152 4.631 4.470 0.016 0.000 0.294 422 S C 0.184 174.642 174.600 -0.236 0.000 1.149 422 S CA -0.662 57.400 58.200 -0.229 0.000 1.034 422 S CB 0.649 63.769 63.200 -0.133 0.000 1.015 422 S HN 0.485 nan 8.310 nan 0.000 0.486 423 Y N 5.480 125.721 120.300 -0.098 0.000 2.114 423 Y HA -0.008 4.551 4.550 0.016 0.000 0.284 423 Y C 1.538 177.390 175.900 -0.081 0.000 1.143 423 Y CA 1.929 60.016 58.100 -0.021 0.000 1.135 423 Y CB -0.300 38.289 38.460 0.214 0.000 0.980 423 Y HN 0.751 nan 8.280 nan 0.000 0.499 424 L N -0.666 120.464 121.223 -0.155 0.000 2.083 424 L HA -0.169 4.181 4.340 0.016 0.000 0.209 424 L C 2.662 179.363 176.870 -0.283 0.000 1.083 424 L CA 1.293 55.995 54.840 -0.230 0.000 0.752 424 L CB -1.191 40.823 42.059 -0.076 0.000 0.899 424 L HN 0.418 nan 8.230 nan 0.000 0.433 425 G N -0.027 108.643 108.800 -0.216 0.000 2.422 425 G HA2 -0.268 3.702 3.960 0.016 0.000 0.218 425 G HA3 -0.268 3.702 3.960 0.016 0.000 0.218 425 G C 1.551 176.343 174.900 -0.180 0.000 1.146 425 G CA 0.579 45.594 45.100 -0.142 0.000 0.769 425 G HN 0.201 nan 8.290 nan 0.000 0.547 426 L N 0.749 121.768 121.223 -0.340 0.000 2.027 426 L HA 0.057 4.406 4.340 0.016 0.000 0.206 426 L C 2.933 179.562 176.870 -0.402 0.000 1.074 426 L CA 1.312 55.742 54.840 -0.683 0.000 0.745 426 L CB -0.619 40.930 42.059 -0.849 0.000 0.898 426 L HN 0.079 nan 8.230 nan 0.000 0.433 427 V N -1.024 118.652 119.914 -0.397 0.000 2.255 427 V HA -0.345 3.784 4.120 0.016 0.000 0.247 427 V C 2.320 178.287 176.094 -0.211 0.000 1.051 427 V CA 2.156 64.288 62.300 -0.279 0.000 1.018 427 V CB -0.893 30.681 31.823 -0.415 0.000 0.641 427 V HN 0.551 nan 8.190 nan 0.000 0.445 428 Y N -0.010 120.017 120.300 -0.456 0.000 2.207 428 Y HA -0.234 4.326 4.550 0.017 0.000 0.287 428 Y C 2.292 178.067 175.900 -0.209 0.000 1.156 428 Y CA 1.786 59.642 58.100 -0.407 0.000 1.182 428 Y CB -0.169 38.057 38.460 -0.390 0.000 0.979 428 Y HN 0.175 nan 8.280 nan 0.000 0.521 429 L N -1.541 119.570 121.223 -0.187 0.000 2.046 429 L HA -0.244 4.106 4.340 0.016 0.000 0.208 429 L C 2.003 178.673 176.870 -0.334 0.000 1.077 429 L CA 1.478 56.138 54.840 -0.300 0.000 0.747 429 L CB -0.479 41.301 42.059 -0.464 0.000 0.896 429 L HN 0.138 nan 8.230 nan 0.000 0.432 430 F N -1.358 118.450 119.950 -0.236 0.000 2.186 430 F HA -0.211 4.326 4.527 0.016 0.000 0.299 430 F C 2.334 178.053 175.800 -0.135 0.000 1.090 430 F CA 1.519 59.409 58.000 -0.184 0.000 1.307 430 F CB -0.839 38.055 39.000 -0.177 0.000 1.019 430 F HN 0.112 nan 8.300 nan 0.000 0.489 431 Y N 0.478 120.731 120.300 -0.078 0.000 2.128 431 Y HA -0.266 4.294 4.550 0.017 0.000 0.284 431 Y C 2.619 178.415 175.900 -0.175 0.000 1.154 431 Y CA 1.930 59.950 58.100 -0.134 0.000 1.149 431 Y CB -0.766 37.552 38.460 -0.236 0.000 0.976 431 Y HN -0.088 nan 8.280 nan 0.000 0.505 432 S N 0.172 115.696 115.700 -0.294 0.000 2.399 432 S HA -0.180 4.299 4.470 0.016 0.000 0.231 432 S C 2.227 176.713 174.600 -0.191 0.000 1.022 432 S CA 0.865 58.895 58.200 -0.284 0.000 0.983 432 S CB -0.729 62.335 63.200 -0.227 0.000 0.803 432 S HN 0.636 nan 8.310 nan 0.000 0.480 433 A N 1.509 124.240 122.820 -0.150 0.000 1.877 433 A HA -0.024 4.306 4.320 0.016 0.000 0.216 433 A C 2.093 179.636 177.584 -0.067 0.000 1.186 433 A CA 1.170 53.155 52.037 -0.086 0.000 0.620 433 A CB -0.685 18.275 19.000 -0.066 0.000 0.822 433 A HN 0.458 nan 8.150 nan 0.000 0.443 434 L N -1.113 120.052 121.223 -0.097 0.000 2.056 434 L HA -0.158 4.191 4.340 0.016 0.000 0.207 434 L C 2.863 179.650 176.870 -0.139 0.000 1.078 434 L CA 1.069 55.856 54.840 -0.089 0.000 0.749 434 L CB -0.509 41.473 42.059 -0.128 0.000 0.901 434 L HN 0.296 nan 8.230 nan 0.000 0.433 435 R N 0.032 120.368 120.500 -0.272 0.000 2.096 435 R HA -0.092 4.258 4.340 0.016 0.000 0.235 435 R C 2.194 178.450 176.300 -0.073 0.000 1.127 435 R CA 0.918 56.888 56.100 -0.216 0.000 0.968 435 R CB -0.450 29.646 30.300 -0.340 0.000 0.861 435 R HN 0.305 nan 8.270 nan 0.000 0.440 436 R N 0.751 121.214 120.500 -0.061 0.000 2.280 436 R HA 0.052 4.402 4.340 0.016 0.000 0.207 436 R C 1.880 178.191 176.300 0.017 0.000 1.043 436 R CA 0.506 56.604 56.100 -0.003 0.000 1.006 436 R CB -0.198 30.103 30.300 0.001 0.000 0.885 436 R HN 0.274 nan 8.270 nan 0.000 0.467 437 L N -0.662 120.567 121.223 0.009 0.000 2.592 437 L HA 0.177 4.527 4.340 0.016 0.000 0.227 437 L C 1.046 177.942 176.870 0.042 0.000 1.127 437 L CA 0.418 55.278 54.840 0.032 0.000 0.884 437 L CB 0.113 42.197 42.059 0.043 0.000 1.065 437 L HN 0.297 nan 8.230 nan 0.000 0.457 438 G N 0.647 109.469 108.800 0.038 0.000 2.148 438 G HA2 -0.277 3.692 3.960 0.016 0.000 0.254 438 G HA3 -0.277 3.692 3.960 0.016 0.000 0.254 438 G C 0.168 175.093 174.900 0.041 0.000 0.981 438 G CA -0.118 45.015 45.100 0.056 0.000 0.670 438 G HN 0.233 nan 8.290 nan 0.000 0.528 439 L N 0.678 121.910 121.223 0.016 0.000 2.326 439 L HA 0.476 4.825 4.340 0.016 0.000 0.278 439 L C 0.129 176.986 176.870 -0.021 0.000 1.092 439 L CA -0.937 53.904 54.840 0.002 0.000 0.810 439 L CB 0.769 42.829 42.059 0.001 0.000 1.153 439 L HN -0.034 nan 8.230 nan 0.000 0.439 440 D N 1.499 121.895 120.400 -0.008 0.000 2.304 440 D HA 0.459 5.109 4.640 0.016 0.000 0.247 440 D C -0.565 175.733 176.300 -0.004 0.000 1.089 440 D CA 0.015 54.016 54.000 0.002 0.000 0.910 440 D CB 1.894 42.696 40.800 0.003 0.000 1.199 440 D HN 0.019 nan 8.370 nan 0.000 0.426 441 V N 1.966 121.905 119.914 0.042 0.000 2.735 441 V HA 0.360 4.490 4.120 0.016 0.000 0.310 441 V C -0.647 175.484 176.094 0.062 0.000 1.061 441 V CA -0.875 61.448 62.300 0.039 0.000 0.913 441 V CB 2.355 34.247 31.823 0.116 0.000 1.005 441 V HN 0.398 nan 8.190 nan 0.000 0.428 442 D N 1.959 122.354 120.400 -0.008 0.000 2.391 442 D HA 0.529 5.179 4.640 0.016 0.000 0.245 442 D C -0.730 175.513 176.300 -0.094 0.000 1.069 442 D CA -0.139 53.856 54.000 -0.008 0.000 0.831 442 D CB 2.412 43.272 40.800 0.099 0.000 1.204 442 D HN 0.236 nan 8.370 nan 0.000 0.503 443 V N 2.687 122.544 119.914 -0.095 0.000 2.407 443 V HA 0.499 4.629 4.120 0.016 0.000 0.278 443 V C 0.408 176.504 176.094 0.003 0.000 1.037 443 V CA -0.565 61.680 62.300 -0.093 0.000 0.900 443 V CB 1.428 33.090 31.823 -0.268 0.000 0.983 443 V HN 0.417 nan 8.190 nan 0.000 0.459 444 V N 3.822 123.747 119.914 0.018 0.000 3.078 444 V HA 0.824 4.953 4.120 0.016 0.000 0.311 444 V C -2.818 173.182 176.094 -0.158 0.000 1.138 444 V CA -2.321 59.967 62.300 -0.020 0.000 1.007 444 V CB 2.543 34.324 31.823 -0.070 0.000 1.045 444 V HN 0.659 nan 8.190 nan 0.000 0.432 445 P HA 0.524 nan 4.420 nan 0.000 0.280 445 P C -2.997 174.094 177.300 -0.349 0.000 1.272 445 P CA -2.227 60.439 63.100 -0.724 0.000 0.819 445 P CB 0.546 31.440 31.700 -1.342 0.000 1.122 446 P HA 0.122 nan 4.420 nan 0.000 0.268 446 P C 1.025 178.179 177.300 -0.244 0.000 1.205 446 P CA 1.262 64.239 63.100 -0.204 0.000 0.771 446 P CB -0.161 31.456 31.700 -0.137 0.000 0.858 447 G N 1.239 109.863 108.800 -0.294 0.000 2.268 447 G HA2 -0.215 3.754 3.960 0.016 0.000 0.240 447 G HA3 -0.215 3.754 3.960 0.016 0.000 0.240 447 G C 0.461 175.250 174.900 -0.184 0.000 1.010 447 G CA 0.030 44.990 45.100 -0.234 0.000 0.618 447 G HN 0.854 nan 8.290 nan 0.000 0.516 448 A N 0.513 123.226 122.820 -0.179 0.000 2.425 448 A HA 0.673 5.003 4.320 0.016 0.000 0.249 448 A C 0.963 178.506 177.584 -0.068 0.000 1.084 448 A CA 1.231 53.202 52.037 -0.110 0.000 0.781 448 A CB 0.551 19.486 19.000 -0.108 0.000 1.019 448 A HN 1.776 nan 8.150 nan 0.000 0.490 449 S N 1.099 116.789 115.700 -0.017 0.000 2.549 449 S HA 0.198 4.678 4.470 0.016 0.000 0.286 449 S C 0.590 175.257 174.600 0.111 0.000 1.314 449 S CA -0.270 57.944 58.200 0.023 0.000 1.062 449 S CB -0.249 62.964 63.200 0.021 0.000 0.865 449 S HN 0.547 nan 8.310 nan 0.000 0.498 450 L N 3.958 125.263 121.223 0.137 0.000 2.700 450 L HA 0.298 4.648 4.340 0.016 0.000 0.234 450 L C 1.277 178.301 176.870 0.256 0.000 1.156 450 L CA -0.417 54.599 54.840 0.293 0.000 0.946 450 L CB -0.115 42.069 42.059 0.208 0.000 1.216 450 L HN 0.537 nan 8.230 nan 0.000 0.493 451 R N 1.383 121.944 120.500 0.101 0.000 2.538 451 R HA 0.123 4.473 4.340 0.016 0.000 0.282 451 R C 1.062 177.290 176.300 -0.120 0.000 1.009 451 R CA 1.188 57.293 56.100 0.009 0.000 1.063 451 R CB 0.362 30.657 30.300 -0.010 0.000 0.945 451 R HN 0.414 nan 8.270 nan 0.000 0.414 452 G N 3.219 111.949 108.800 -0.117 0.000 2.217 452 G HA2 -0.303 3.667 3.960 0.016 0.000 0.246 452 G HA3 -0.303 3.667 3.960 0.016 0.000 0.246 452 G C -0.390 174.345 174.900 -0.276 0.000 0.990 452 G CA 0.225 45.193 45.100 -0.222 0.000 0.627 452 G HN 0.576 nan 8.290 nan 0.000 0.522 453 Y N 0.619 120.904 120.300 -0.025 0.000 2.299 453 Y HA 0.585 5.145 4.550 0.016 0.000 0.326 453 Y C 1.680 177.563 175.900 -0.029 0.000 1.164 453 Y CA 0.151 58.219 58.100 -0.054 0.000 1.234 453 Y CB 1.360 39.773 38.460 -0.080 0.000 1.219 453 Y HN 0.187 nan 8.280 nan 0.000 0.497 454 A N 3.990 126.886 122.820 0.127 0.000 1.902 454 A HA 0.024 4.354 4.320 0.016 0.000 0.217 454 A C 0.089 177.830 177.584 0.262 0.000 1.181 454 A CA 1.715 53.845 52.037 0.156 0.000 0.623 454 A CB -0.578 18.530 19.000 0.179 0.000 0.818 454 A HN 0.743 nan 8.150 nan 0.000 0.443 455 F N -5.259 114.719 119.950 0.047 0.000 2.741 455 F HA 0.720 5.257 4.527 0.016 0.000 0.311 455 F C -0.749 175.015 175.800 -0.060 0.000 1.149 455 F CA -1.145 56.842 58.000 -0.022 0.000 0.930 455 F CB 0.703 39.666 39.000 -0.063 0.000 1.312 455 F HN 0.212 nan 8.300 nan 0.000 0.450 456 A N 1.249 124.079 122.820 0.017 0.000 2.413 456 A HA 0.875 5.205 4.320 0.016 0.000 0.307 456 A C -1.863 175.643 177.584 -0.129 0.000 1.087 456 A CA -0.973 50.962 52.037 -0.170 0.000 0.750 456 A CB 1.845 20.765 19.000 -0.133 0.000 1.296 456 A HN 1.002 nan 8.150 nan 0.000 0.423 457 V N 1.320 121.102 119.914 -0.220 0.000 2.540 457 V HA 0.494 4.623 4.120 0.016 0.000 0.302 457 V C -0.660 175.241 176.094 -0.321 0.000 1.035 457 V CA -0.454 61.659 62.300 -0.312 0.000 0.873 457 V CB 1.769 33.394 31.823 -0.330 0.000 0.992 457 V HN 0.656 nan 8.190 nan 0.000 0.428 458 V N 6.741 126.425 119.914 -0.383 0.000 2.276 458 V HA 0.239 4.368 4.120 0.016 0.000 0.268 458 V C -1.655 174.299 176.094 -0.233 0.000 1.032 458 V CA -1.357 60.829 62.300 -0.190 0.000 0.810 458 V CB 1.070 32.866 31.823 -0.046 0.000 1.060 458 V HN 0.679 nan 8.190 nan 0.000 0.446 459 P HA -0.177 nan 4.420 nan 0.000 0.219 459 P C 0.547 177.866 177.300 0.030 0.000 1.158 459 P CA 1.635 64.608 63.100 -0.212 0.000 0.895 459 P CB 0.278 31.919 31.700 -0.098 0.000 0.792 460 S N -2.644 113.163 115.700 0.179 0.000 2.602 460 S HA 0.409 4.889 4.470 0.016 0.000 0.301 460 S C -2.203 172.579 174.600 0.303 0.000 1.091 460 S CA -0.667 57.722 58.200 0.314 0.000 0.895 460 S CB 0.000 63.499 63.200 0.498 0.000 1.090 460 S HN -0.085 nan 8.310 nan 0.000 0.449 461 L N 8.103 129.456 121.223 0.217 0.000 2.470 461 L HA 0.581 4.930 4.340 0.016 0.000 0.253 461 L C -1.731 175.164 176.870 0.043 0.000 1.163 461 L CA -1.788 53.115 54.840 0.105 0.000 0.932 461 L CB 1.506 43.671 42.059 0.176 0.000 1.213 461 L HN 0.443 nan 8.230 nan 0.000 0.485 462 P HA -0.170 nan 4.420 nan 0.000 0.215 462 P C 0.434 177.659 177.300 -0.125 0.000 1.157 462 P CA 1.404 64.444 63.100 -0.101 0.000 0.874 462 P CB 0.438 31.927 31.700 -0.351 0.000 0.790 463 I N 0.356 120.834 120.570 -0.153 0.000 2.321 463 I HA 0.161 4.341 4.170 0.016 0.000 0.291 463 I C -0.190 175.895 176.117 -0.053 0.000 0.998 463 I CA -0.843 60.390 61.300 -0.110 0.000 1.227 463 I CB 2.037 39.962 38.000 -0.125 0.000 1.368 463 I HN -0.330 nan 8.210 nan 0.000 0.466 464 V N 7.418 127.313 119.914 -0.032 0.000 2.293 464 V HA 0.365 4.495 4.120 0.016 0.000 0.275 464 V C 0.436 176.526 176.094 -0.006 0.000 1.021 464 V CA -0.684 61.622 62.300 0.011 0.000 0.815 464 V CB 0.685 32.516 31.823 0.013 0.000 1.025 464 V HN 0.693 nan 8.190 nan 0.000 0.448 465 R N 1.904 122.393 120.500 -0.018 0.000 2.577 465 R HA 0.229 4.579 4.340 0.016 0.000 0.269 465 R C 1.289 177.567 176.300 -0.036 0.000 1.084 465 R CA -0.583 55.499 56.100 -0.029 0.000 1.163 465 R CB 1.036 31.314 30.300 -0.038 0.000 1.100 465 R HN 0.644 nan 8.270 nan 0.000 0.547 466 E N 1.682 121.862 120.200 -0.034 0.000 2.070 466 E HA -0.249 4.110 4.350 0.016 0.000 0.197 466 E C 1.121 177.686 176.600 -0.057 0.000 1.004 466 E CA 1.928 58.307 56.400 -0.035 0.000 0.805 466 E CB 0.067 29.751 29.700 -0.028 0.000 0.744 466 E HN 0.530 nan 8.360 nan 0.000 0.451 467 E N 0.159 120.316 120.200 -0.072 0.000 2.058 467 E HA -0.139 4.221 4.350 0.016 0.000 0.194 467 E C 1.965 178.461 176.600 -0.173 0.000 0.997 467 E CA 1.538 57.878 56.400 -0.100 0.000 0.801 467 E CB -0.653 28.990 29.700 -0.094 0.000 0.746 467 E HN 0.406 nan 8.360 nan 0.000 0.450 468 A N 0.589 123.285 122.820 -0.206 0.000 1.877 468 A HA -0.144 4.186 4.320 0.016 0.000 0.216 468 A C 2.178 179.452 177.584 -0.516 0.000 1.186 468 A CA 1.315 53.103 52.037 -0.414 0.000 0.620 468 A CB -0.746 18.107 19.000 -0.246 0.000 0.822 468 A HN 0.259 nan 8.150 nan 0.000 0.443 469 L N 0.078 121.225 121.223 -0.127 0.000 2.012 469 L HA -0.198 4.151 4.340 0.016 0.000 0.210 469 L C 2.360 179.241 176.870 0.018 0.000 1.073 469 L CA 2.849 57.731 54.840 0.070 0.000 0.748 469 L CB -0.690 41.395 42.059 0.044 0.000 0.891 469 L HN 0.540 nan 8.230 nan 0.000 0.431 470 E N -0.174 119.997 120.200 -0.049 0.000 2.058 470 E HA -0.226 4.134 4.350 0.016 0.000 0.194 470 E C 2.086 178.668 176.600 -0.029 0.000 0.997 470 E CA 1.762 58.148 56.400 -0.024 0.000 0.801 470 E CB -0.497 29.179 29.700 -0.039 0.000 0.746 470 E HN 0.527 nan 8.360 nan 0.000 0.450 471 A N -0.413 122.318 122.820 -0.149 0.000 1.940 471 A HA -0.133 4.196 4.320 0.016 0.000 0.219 471 A C 2.020 179.597 177.584 -0.012 0.000 1.176 471 A CA 1.553 53.501 52.037 -0.149 0.000 0.631 471 A CB -0.872 17.945 19.000 -0.306 0.000 0.814 471 A HN 0.355 nan 8.150 nan 0.000 0.446 472 F N -0.270 119.762 119.950 0.137 0.000 2.146 472 F HA -0.020 4.516 4.527 0.016 0.000 0.298 472 F C 2.496 178.471 175.800 0.292 0.000 1.096 472 F CA 1.083 59.229 58.000 0.244 0.000 1.275 472 F CB -0.755 38.427 39.000 0.303 0.000 1.008 472 F HN 0.113 nan 8.300 nan 0.000 0.480 473 R N 0.232 120.943 120.500 0.351 0.000 2.091 473 R HA -0.134 4.216 4.340 0.016 0.000 0.238 473 R C 1.669 178.119 176.300 0.249 0.000 1.136 473 R CA 1.316 57.589 56.100 0.288 0.000 0.959 473 R CB -0.363 30.028 30.300 0.152 0.000 0.856 473 R HN 0.202 nan 8.270 nan 0.000 0.437 474 E N 0.346 120.650 120.200 0.174 0.000 2.511 474 E HA 0.064 4.424 4.350 0.016 0.000 0.196 474 E C 0.052 176.730 176.600 0.131 0.000 1.066 474 E CA 0.062 56.536 56.400 0.122 0.000 0.871 474 E CB 0.107 29.850 29.700 0.072 0.000 0.863 474 E HN 0.226 nan 8.360 nan 0.000 0.520 475 A N 1.294 124.230 122.820 0.193 0.000 2.511 475 A HA -0.010 4.319 4.320 0.016 0.000 0.242 475 A C 0.997 178.641 177.584 0.099 0.000 1.069 475 A CA 0.068 52.205 52.037 0.168 0.000 0.763 475 A CB 0.261 19.400 19.000 0.232 0.000 1.001 475 A HN 0.082 nan 8.150 nan 0.000 0.498 476 E N 1.989 122.235 120.200 0.077 0.000 2.250 476 E HA 0.110 4.470 4.350 0.016 0.000 0.192 476 E C 1.045 177.662 176.600 0.028 0.000 0.986 476 E CA 0.601 57.028 56.400 0.045 0.000 0.849 476 E CB 0.241 29.963 29.700 0.037 0.000 0.797 476 E HN 0.761 nan 8.360 nan 0.000 0.482 477 G N 1.483 110.311 108.800 0.046 0.000 2.644 477 G HA2 0.422 4.392 3.960 0.016 0.000 0.307 477 G HA3 0.422 4.392 3.960 0.016 0.000 0.307 477 G C -2.833 172.061 174.900 -0.010 0.000 1.250 477 G CA -1.592 43.531 45.100 0.040 0.000 0.996 477 G HN -0.218 nan 8.290 nan 0.000 0.489 478 P HA 0.237 nan 4.420 nan 0.000 0.267 478 P C -0.607 176.650 177.300 -0.072 0.000 1.201 478 P CA -0.125 62.905 63.100 -0.117 0.000 0.775 478 P CB 0.968 32.599 31.700 -0.114 0.000 0.854 479 V N 3.738 123.541 119.914 -0.184 0.000 2.483 479 V HA 0.281 4.410 4.120 0.016 0.000 0.297 479 V C -0.359 175.465 176.094 -0.450 0.000 1.027 479 V CA -0.655 61.471 62.300 -0.290 0.000 0.855 479 V CB 1.602 33.236 31.823 -0.314 0.000 0.995 479 V HN 0.331 nan 8.190 nan 0.000 0.424 480 L N 5.981 126.942 121.223 -0.437 0.000 2.272 480 L HA 0.678 5.027 4.340 0.016 0.000 0.289 480 L C -1.057 175.493 176.870 -0.532 0.000 1.032 480 L CA 0.258 54.874 54.840 -0.374 0.000 0.810 480 L CB 0.605 42.513 42.059 -0.252 0.000 1.205 480 L HN 0.416 nan 8.230 nan 0.000 0.422 481 F N 3.676 123.545 119.950 -0.134 0.000 2.410 481 F HA 0.670 5.206 4.527 0.016 0.000 0.349 481 F C 1.183 176.840 175.800 -0.238 0.000 1.117 481 F CA -0.229 57.679 58.000 -0.153 0.000 1.104 481 F CB 1.392 40.388 39.000 -0.007 0.000 1.122 481 F HN 0.646 nan 8.300 nan 0.000 0.483 482 G N 2.918 111.695 108.800 -0.039 0.000 2.562 482 G HA2 0.454 4.424 3.960 0.016 0.000 0.275 482 G HA3 0.454 4.424 3.960 0.016 0.000 0.275 482 G C -2.667 172.204 174.900 -0.048 0.000 1.196 482 G CA -1.549 43.515 45.100 -0.061 0.000 0.908 482 G HN 0.360 nan 8.290 nan 0.000 0.524 483 P HA 0.033 nan 4.420 nan 0.000 0.267 483 P C 0.071 177.507 177.300 0.226 0.000 1.200 483 P CA 0.216 63.407 63.100 0.153 0.000 0.772 483 P CB 0.701 32.602 31.700 0.336 0.000 0.855 484 R N -1.633 119.036 120.500 0.283 0.000 3.922 484 R HA -0.101 4.249 4.340 0.016 0.000 0.447 484 R C 0.186 176.619 176.300 0.222 0.000 1.035 484 R CA 0.590 56.791 56.100 0.169 0.000 1.289 484 R CB -2.628 27.552 30.300 -0.200 0.000 1.906 484 R HN 0.478 nan 8.270 nan 0.000 0.540 485 S N 0.109 115.979 115.700 0.283 0.000 2.549 485 S HA 0.333 4.813 4.470 0.016 0.000 0.286 485 S C 1.350 175.996 174.600 0.076 0.000 1.314 485 S CA 0.846 59.161 58.200 0.192 0.000 1.062 485 S CB 1.387 64.715 63.200 0.213 0.000 0.865 485 S HN 0.627 nan 8.310 nan 0.000 0.498 486 G N 2.129 110.923 108.800 -0.010 0.000 2.225 486 G HA2 -0.306 3.664 3.960 0.016 0.000 0.267 486 G HA3 -0.306 3.664 3.960 0.016 0.000 0.267 486 G C 0.671 175.545 174.900 -0.043 0.000 1.024 486 G CA 0.564 45.625 45.100 -0.066 0.000 0.784 486 G HN 1.008 nan 8.290 nan 0.000 0.507 487 S N -1.965 113.729 115.700 -0.009 0.000 2.575 487 S HA 0.437 4.917 4.470 0.016 0.000 0.215 487 S C 0.758 175.343 174.600 -0.025 0.000 0.966 487 S CA 0.407 58.610 58.200 0.005 0.000 0.911 487 S CB 0.785 64.021 63.200 0.061 0.000 0.780 487 S HN 0.364 nan 8.310 nan 0.000 0.514 488 K N 2.131 122.487 120.400 -0.073 0.000 2.469 488 K HA 0.446 4.776 4.320 0.016 0.000 0.254 488 K C -0.233 176.322 176.600 -0.076 0.000 0.939 488 K CA -0.335 55.893 56.287 -0.099 0.000 0.812 488 K CB 1.641 33.977 32.500 -0.274 0.000 1.301 488 K HN 0.328 nan 8.250 nan 0.000 0.433 489 T N -2.358 112.181 114.554 -0.025 0.000 2.824 489 T HA 0.249 4.609 4.350 0.016 0.000 0.277 489 T C 1.111 175.818 174.700 0.013 0.000 0.975 489 T CA -0.483 61.620 62.100 0.004 0.000 0.966 489 T CB 0.881 69.775 68.868 0.044 0.000 1.054 489 T HN 0.493 nan 8.240 nan 0.000 0.533 490 E N 0.268 120.495 120.200 0.044 0.000 2.265 490 E HA -0.096 4.263 4.350 0.016 0.000 0.196 490 E C 1.562 178.261 176.600 0.165 0.000 0.996 490 E CA 1.508 57.953 56.400 0.076 0.000 0.832 490 E CB -0.247 29.501 29.700 0.080 0.000 0.756 490 E HN 0.870 nan 8.360 nan 0.000 0.491 491 T N -2.544 112.133 114.554 0.205 0.000 3.206 491 T HA 0.110 4.469 4.350 0.016 0.000 0.253 491 T C 0.526 175.440 174.700 0.357 0.000 1.042 491 T CA -0.545 61.749 62.100 0.324 0.000 0.931 491 T CB -0.695 68.369 68.868 0.327 0.000 1.029 491 T HN 0.236 nan 8.240 nan 0.000 0.564 492 F N 0.936 120.937 119.950 0.086 0.000 2.985 492 F HA -0.226 4.310 4.527 0.017 0.000 0.303 492 F C -0.025 175.775 175.800 0.001 0.000 0.976 492 F CA -0.021 57.994 58.000 0.026 0.000 1.013 492 F CB -1.102 37.901 39.000 0.006 0.000 1.060 492 F HN 0.412 nan 8.300 nan 0.000 0.780 493 Q N 0.611 120.548 119.800 0.228 0.000 2.458 493 Q HA 0.642 4.992 4.340 0.016 0.000 0.282 493 Q C -0.158 175.891 176.000 0.082 0.000 1.106 493 Q CA -1.235 54.648 55.803 0.133 0.000 0.814 493 Q CB 2.334 31.126 28.738 0.090 0.000 1.425 493 Q HN 0.290 nan 8.270 nan 0.000 0.437 494 I N 2.773 123.369 120.570 0.044 0.000 2.416 494 I HA 0.173 4.352 4.170 0.016 0.000 0.288 494 I C -2.085 174.037 176.117 0.008 0.000 1.051 494 I CA -1.819 59.493 61.300 0.021 0.000 1.375 494 I CB 0.661 38.664 38.000 0.004 0.000 1.407 494 I HN 0.251 nan 8.210 nan 0.000 0.516 495 P HA -0.002 nan 4.420 nan 0.000 0.265 495 P C 0.017 177.309 177.300 -0.013 0.000 1.187 495 P CA -0.094 63.000 63.100 -0.011 0.000 0.766 495 P CB 0.545 32.228 31.700 -0.028 0.000 0.820 496 K N 2.228 122.621 120.400 -0.011 0.000 2.152 496 K HA -0.185 4.144 4.320 0.016 0.000 0.206 496 K C 1.518 178.107 176.600 -0.019 0.000 1.048 496 K CA 1.502 57.782 56.287 -0.012 0.000 0.933 496 K CB -0.370 32.124 32.500 -0.008 0.000 0.721 496 K HN 0.584 nan 8.250 nan 0.000 0.447 497 E N 1.605 121.789 120.200 -0.027 0.000 2.489 497 E HA 0.008 4.368 4.350 0.016 0.000 0.193 497 E C -0.092 176.482 176.600 -0.043 0.000 1.057 497 E CA 0.036 56.414 56.400 -0.036 0.000 0.866 497 E CB -0.457 29.215 29.700 -0.046 0.000 0.916 497 E HN 0.214 nan 8.360 nan 0.000 0.500 498 L N -1.491 119.711 121.223 -0.036 0.000 0.585 498 L HA -0.172 4.178 4.340 0.016 0.000 0.356 498 L C -2.527 174.311 176.870 -0.054 0.000 0.963 498 L CA -0.321 54.498 54.840 -0.036 0.000 1.223 498 L CB -1.278 40.761 42.059 -0.033 0.000 0.011 498 L HN 0.035 nan 8.230 nan 0.000 0.091 499 P HA 0.098 nan 4.420 nan 0.000 0.269 499 P C -2.133 175.083 177.300 -0.138 0.000 1.215 499 P CA -0.768 62.294 63.100 -0.064 0.000 0.780 499 P CB 0.139 31.839 31.700 0.001 0.000 0.898 500 P HA 0.026 nan 4.420 nan 0.000 0.249 500 P C 0.895 178.092 177.300 -0.172 0.000 1.593 500 P CA 0.454 63.427 63.100 -0.211 0.000 0.896 500 P CB -0.532 30.944 31.700 -0.373 0.000 1.581 501 G N 2.287 111.011 108.800 -0.127 0.000 2.685 501 G HA2 -0.297 3.673 3.960 0.016 0.000 0.329 501 G HA3 -0.297 3.673 3.960 0.016 0.000 0.329 501 G C -1.451 173.379 174.900 -0.116 0.000 1.271 501 G CA 0.721 45.760 45.100 -0.101 0.000 1.003 501 G HN 0.162 nan 8.290 nan 0.000 0.549 502 P HA -0.010 nan 4.420 nan 0.000 0.218 502 P C 2.079 179.290 177.300 -0.149 0.000 1.146 502 P CA 1.404 64.445 63.100 -0.099 0.000 0.813 502 P CB -0.174 31.485 31.700 -0.069 0.000 0.778 503 L N -0.932 120.155 121.223 -0.226 0.000 2.456 503 L HA -0.149 4.201 4.340 0.016 0.000 0.224 503 L C 2.164 178.871 176.870 -0.271 0.000 1.148 503 L CA 1.060 55.695 54.840 -0.342 0.000 0.825 503 L CB -0.866 40.867 42.059 -0.544 0.000 0.937 503 L HN 0.089 nan 8.230 nan 0.000 0.450 504 Q N -0.174 119.505 119.800 -0.202 0.000 2.488 504 Q HA -0.068 4.281 4.340 0.016 0.000 0.211 504 Q C 2.172 178.098 176.000 -0.122 0.000 0.967 504 Q CA 0.875 56.581 55.803 -0.161 0.000 0.926 504 Q CB 0.028 28.686 28.738 -0.133 0.000 0.992 504 Q HN 0.554 nan 8.270 nan 0.000 0.506 505 A N -0.025 122.720 122.820 -0.125 0.000 2.169 505 A HA 0.030 4.360 4.320 0.016 0.000 0.212 505 A C 1.660 179.180 177.584 -0.106 0.000 1.153 505 A CA 0.577 52.559 52.037 -0.092 0.000 0.756 505 A CB 0.106 19.060 19.000 -0.077 0.000 0.813 505 A HN 0.270 nan 8.150 nan 0.000 0.471 506 L N -1.928 119.190 121.223 -0.175 0.000 2.547 506 L HA 0.352 4.701 4.340 0.016 0.000 0.218 506 L C -0.228 176.592 176.870 -0.084 0.000 1.048 506 L CA 0.183 54.886 54.840 -0.229 0.000 0.859 506 L CB 0.171 41.863 42.059 -0.612 0.000 1.128 506 L HN 0.133 nan 8.230 nan 0.000 0.483 507 L N 2.041 123.204 121.223 -0.099 0.000 2.349 507 L HA 0.386 4.736 4.340 0.016 0.000 0.278 507 L C -2.339 174.483 176.870 -0.079 0.000 0.996 507 L CA -1.412 53.406 54.840 -0.036 0.000 0.825 507 L CB 2.050 44.085 42.059 -0.040 0.000 1.243 507 L HN -0.229 nan 8.230 nan 0.000 0.412 508 P HA 0.221 nan 4.420 nan 0.000 0.231 508 P C -1.355 175.884 177.300 -0.101 0.000 1.811 508 P CA -0.204 62.861 63.100 -0.058 0.000 1.051 508 P CB -0.004 31.686 31.700 -0.016 0.000 1.951 509 L N -0.786 120.337 121.223 -0.165 0.000 2.518 509 L HA 0.711 5.060 4.340 0.016 0.000 0.257 509 L C -1.178 175.551 176.870 -0.236 0.000 0.980 509 L CA -0.949 53.747 54.840 -0.239 0.000 0.837 509 L CB 2.110 43.932 42.059 -0.395 0.000 1.410 509 L HN -0.170 nan 8.230 nan 0.000 0.410 510 K N 1.211 121.493 120.400 -0.198 0.000 2.422 510 K HA 0.738 5.068 4.320 0.016 0.000 0.251 510 K C -1.509 175.027 176.600 -0.106 0.000 0.933 510 K CA -0.991 55.209 56.287 -0.145 0.000 0.798 510 K CB 2.974 35.426 32.500 -0.080 0.000 1.238 510 K HN 0.480 nan 8.250 nan 0.000 0.428 511 V N 3.666 123.532 119.914 -0.079 0.000 2.334 511 V HA 0.020 4.150 4.120 0.016 0.000 0.267 511 V C 1.053 177.163 176.094 0.028 0.000 1.040 511 V CA -0.284 62.024 62.300 0.014 0.000 0.866 511 V CB 0.891 32.747 31.823 0.055 0.000 1.019 511 V HN 0.737 nan 8.190 nan 0.000 0.468 512 V N 2.629 122.585 119.914 0.070 0.000 3.608 512 V HA 0.397 4.527 4.120 0.016 0.000 0.269 512 V C 0.691 176.776 176.094 -0.014 0.000 1.245 512 V CA 0.483 62.813 62.300 0.051 0.000 1.138 512 V CB -0.523 31.364 31.823 0.106 0.000 0.841 512 V HN 0.797 nan 8.190 nan 0.000 0.451 513 R N 0.140 120.604 120.500 -0.061 0.000 2.664 513 R HA 0.593 4.943 4.340 0.016 0.000 0.260 513 R C -1.837 174.251 176.300 -0.353 0.000 1.062 513 R CA -0.053 55.851 56.100 -0.326 0.000 0.902 513 R CB 2.366 32.206 30.300 -0.767 0.000 1.258 513 R HN 0.318 nan 8.270 nan 0.000 0.465 514 V N -0.992 118.672 119.914 -0.416 0.000 3.001 514 V HA 0.763 4.893 4.120 0.016 0.000 0.314 514 V C -0.986 174.707 176.094 -0.669 0.000 1.099 514 V CA -0.649 61.353 62.300 -0.497 0.000 0.989 514 V CB 2.153 33.738 31.823 -0.396 0.000 1.040 514 V HN 0.894 nan 8.190 nan 0.000 0.434 515 E N 1.611 121.322 120.200 -0.816 0.000 2.314 515 E HA 0.629 4.989 4.350 0.016 0.000 0.272 515 E C -1.217 174.961 176.600 -0.704 0.000 0.884 515 E CA -0.700 55.334 56.400 -0.609 0.000 0.753 515 E CB 2.335 31.823 29.700 -0.352 0.000 1.213 515 E HN 0.987 nan 8.360 nan 0.000 0.432 516 S N 2.583 118.051 115.700 -0.387 0.000 2.478 516 S HA 0.629 5.108 4.470 0.016 0.000 0.312 516 S C -0.464 174.098 174.600 -0.064 0.000 1.094 516 S CA -0.834 57.293 58.200 -0.122 0.000 1.081 516 S CB 0.586 63.822 63.200 0.061 0.000 1.007 516 S HN 0.375 nan 8.310 nan 0.000 0.475 517 L N 3.381 124.597 121.223 -0.012 0.000 2.334 517 L HA 0.641 4.991 4.340 0.016 0.000 0.273 517 L C -2.183 174.689 176.870 0.002 0.000 1.013 517 L CA -2.597 52.236 54.840 -0.013 0.000 0.816 517 L CB 1.855 43.908 42.059 -0.010 0.000 1.278 517 L HN 0.488 nan 8.230 nan 0.000 0.431 518 P HA 0.151 nan 4.420 nan 0.000 0.271 518 P C -2.617 174.683 177.300 0.001 0.000 1.218 518 P CA -1.218 61.883 63.100 0.002 0.000 0.780 518 P CB -0.105 31.598 31.700 0.004 0.000 0.901 519 P HA -0.022 nan 4.420 nan 0.000 0.265 519 P C 0.945 178.251 177.300 0.010 0.000 1.193 519 P CA 1.029 64.126 63.100 -0.006 0.000 0.765 519 P CB 0.066 31.759 31.700 -0.012 0.000 0.823 520 G N 2.214 111.025 108.800 0.019 0.000 2.258 520 G HA2 -0.238 3.732 3.960 0.016 0.000 0.233 520 G HA3 -0.238 3.732 3.960 0.016 0.000 0.233 520 G C -0.053 174.867 174.900 0.034 0.000 1.006 520 G CA -0.106 45.010 45.100 0.027 0.000 0.620 520 G HN 0.584 nan 8.290 nan 0.000 0.511 521 L N 2.036 123.277 121.223 0.030 0.000 2.342 521 L HA 0.665 5.015 4.340 0.016 0.000 0.285 521 L C -0.059 176.842 176.870 0.053 0.000 1.095 521 L CA -0.432 54.427 54.840 0.033 0.000 0.843 521 L CB 0.163 42.233 42.059 0.019 0.000 1.201 521 L HN 0.230 nan 8.230 nan 0.000 0.445 522 L N 4.771 126.035 121.223 0.068 0.000 2.354 522 L HA 0.617 4.967 4.340 0.016 0.000 0.269 522 L C -0.626 176.316 176.870 0.120 0.000 1.005 522 L CA -0.636 54.269 54.840 0.107 0.000 0.819 522 L CB 2.240 44.365 42.059 0.111 0.000 1.311 522 L HN 0.480 nan 8.230 nan 0.000 0.423 523 E N 1.036 121.352 120.200 0.195 0.000 2.290 523 E HA 0.406 4.765 4.350 0.016 0.000 0.274 523 E C -1.557 175.270 176.600 0.379 0.000 0.889 523 E CA -0.713 55.832 56.400 0.242 0.000 0.760 523 E CB 2.722 32.532 29.700 0.183 0.000 1.206 523 E HN 0.297 nan 8.360 nan 0.000 0.419 524 V N 2.626 122.692 119.914 0.253 0.000 2.572 524 V HA 0.341 4.471 4.120 0.016 0.000 0.291 524 V C 0.207 176.364 176.094 0.104 0.000 1.039 524 V CA 0.233 62.632 62.300 0.164 0.000 1.055 524 V CB 0.823 32.689 31.823 0.072 0.000 0.969 524 V HN 0.696 nan 8.190 nan 0.000 0.482 525 A N 5.832 128.607 122.820 -0.075 0.000 2.303 525 A HA 0.781 5.110 4.320 0.016 0.000 0.320 525 A C -0.119 177.415 177.584 -0.084 0.000 1.192 525 A CA -0.652 51.156 52.037 -0.382 0.000 0.821 525 A CB 0.688 19.251 19.000 -0.728 0.000 1.188 525 A HN 0.936 nan 8.150 nan 0.000 0.492 526 E N 1.909 122.055 120.200 -0.090 0.000 2.393 526 E HA 0.834 5.193 4.350 0.016 0.000 0.273 526 E C -0.081 176.500 176.600 -0.032 0.000 0.918 526 E CA -0.781 55.596 56.400 -0.038 0.000 0.773 526 E CB 2.152 31.816 29.700 -0.060 0.000 1.275 526 E HN 1.125 nan 8.360 nan 0.000 0.451 527 G N -0.257 108.537 108.800 -0.010 0.000 2.348 527 G HA2 0.389 4.359 3.960 0.016 0.000 0.296 527 G HA3 0.389 4.359 3.960 0.016 0.000 0.296 527 G C 0.149 175.050 174.900 0.001 0.000 1.258 527 G CA -0.193 44.900 45.100 -0.012 0.000 0.868 527 G HN 0.611 nan 8.290 nan 0.000 0.488 528 A N -0.668 122.152 122.820 -0.000 0.000 1.978 528 A HA 0.079 4.409 4.320 0.016 0.000 0.220 528 A C 2.407 180.007 177.584 0.026 0.000 1.170 528 A CA 2.013 54.051 52.037 0.002 0.000 0.636 528 A CB -0.546 18.451 19.000 -0.005 0.000 0.810 528 A HN 0.623 nan 8.150 nan 0.000 0.448 529 L N -1.986 119.281 121.223 0.073 0.000 2.201 529 L HA 0.169 4.519 4.340 0.016 0.000 0.212 529 L C 1.415 178.411 176.870 0.209 0.000 1.105 529 L CA 0.700 55.632 54.840 0.152 0.000 0.775 529 L CB -0.348 41.822 42.059 0.184 0.000 0.913 529 L HN 0.678 nan 8.230 nan 0.000 0.440 530 G N -0.697 108.156 108.800 0.087 0.000 2.320 530 G HA2 0.053 4.023 3.960 0.016 0.000 0.274 530 G HA3 0.053 4.023 3.960 0.016 0.000 0.274 530 G C -1.286 173.311 174.900 -0.505 0.000 1.324 530 G CA -0.959 43.974 45.100 -0.278 0.000 0.957 530 G HN -0.025 nan 8.290 nan 0.000 0.481 531 R N -0.557 119.427 120.500 -0.861 0.000 2.437 531 R HA 0.634 4.984 4.340 0.016 0.000 0.310 531 R C -1.531 174.242 176.300 -0.879 0.000 0.955 531 R CA -0.424 55.321 56.100 -0.591 0.000 0.851 531 R CB 1.281 31.397 30.300 -0.307 0.000 1.161 531 R HN 0.285 nan 8.270 nan 0.000 0.446 532 F N 3.316 123.240 119.950 -0.042 0.000 2.553 532 F HA 0.361 4.897 4.527 0.016 0.000 0.335 532 F C -2.194 173.618 175.800 0.020 0.000 1.148 532 F CA -2.788 55.200 58.000 -0.019 0.000 0.963 532 F CB 1.949 40.925 39.000 -0.041 0.000 1.217 532 F HN 0.254 nan 8.300 nan 0.000 0.441 533 P HA 0.292 nan 4.420 nan 0.000 0.276 533 P C -0.792 176.648 177.300 0.234 0.000 1.253 533 P CA 0.200 63.409 63.100 0.182 0.000 0.766 533 P CB 0.692 32.466 31.700 0.125 0.000 0.845 534 L N 2.653 124.058 121.223 0.303 0.000 2.333 534 L HA 0.897 5.246 4.340 0.016 0.000 0.263 534 L C 0.802 177.858 176.870 0.310 0.000 1.014 534 L CA -0.493 54.548 54.840 0.336 0.000 0.820 534 L CB 2.472 44.783 42.059 0.420 0.000 1.352 534 L HN 0.476 nan 8.230 nan 0.000 0.421 535 G N -0.431 108.534 108.800 0.276 0.000 2.772 535 G HA2 0.460 4.430 3.960 0.016 0.000 0.284 535 G HA3 0.460 4.430 3.960 0.016 0.000 0.284 535 G C -0.040 174.973 174.900 0.190 0.000 1.217 535 G CA 0.010 45.221 45.100 0.186 0.000 0.831 535 G HN 0.688 nan 8.290 nan 0.000 0.523 536 L N -2.685 118.588 121.223 0.082 0.000 3.363 536 L HA -0.142 4.208 4.340 0.016 0.000 0.346 536 L C 0.050 177.063 176.870 0.239 0.000 3.762 536 L CA 2.307 57.166 54.840 0.031 0.000 1.796 536 L CB -0.664 41.222 42.059 -0.288 0.000 3.000 536 L HN 0.740 nan 8.230 nan 0.000 0.779 537 W N 1.504 122.910 121.300 0.177 0.000 3.097 537 W HA 0.624 5.294 4.660 0.016 0.000 0.335 537 W C -0.688 176.002 176.519 0.284 0.000 1.114 537 W CA -0.536 56.972 57.345 0.272 0.000 1.231 537 W CB 1.505 31.277 29.460 0.520 0.000 1.388 537 W HN 0.188 nan 8.180 nan 0.000 0.485 538 R N 3.832 124.212 120.500 -0.200 0.000 2.584 538 R HA 0.394 4.743 4.340 0.016 0.000 0.276 538 R C -1.323 174.922 176.300 -0.091 0.000 1.046 538 R CA -0.334 55.772 56.100 0.010 0.000 0.906 538 R CB 2.211 32.475 30.300 -0.059 0.000 1.215 538 R HN 0.569 nan 8.270 nan 0.000 0.449 539 E N 2.896 123.233 120.200 0.229 0.000 2.238 539 E HA 0.283 4.642 4.350 0.016 0.000 0.267 539 E C -1.254 175.631 176.600 0.475 0.000 0.887 539 E CA -0.814 55.748 56.400 0.270 0.000 0.769 539 E CB 1.652 31.590 29.700 0.397 0.000 1.187 539 E HN 0.341 nan 8.360 nan 0.000 0.416 540 W N 2.093 123.435 121.300 0.069 0.000 2.332 540 W HA 0.321 4.992 4.660 0.017 0.000 0.306 540 W C -0.556 176.011 176.519 0.080 0.000 1.149 540 W CA -0.789 56.602 57.345 0.076 0.000 1.271 540 W CB 0.617 30.090 29.460 0.022 0.000 1.243 540 W HN 0.155 nan 8.180 nan 0.000 0.459 541 V N 3.505 123.595 119.914 0.294 0.000 2.398 541 V HA 0.234 4.364 4.120 0.016 0.000 0.286 541 V C 0.012 176.136 176.094 0.050 0.000 1.026 541 V CA -1.163 61.197 62.300 0.100 0.000 0.868 541 V CB 1.636 33.417 31.823 -0.070 0.000 0.982 541 V HN 0.409 nan 8.190 nan 0.000 0.443 542 E N 3.700 123.895 120.200 -0.008 0.000 2.109 542 E HA 0.709 5.069 4.350 0.016 0.000 0.278 542 E C -0.598 175.960 176.600 -0.069 0.000 0.954 542 E CA -0.266 56.133 56.400 -0.002 0.000 0.779 542 E CB 1.319 31.028 29.700 0.016 0.000 1.093 542 E HN 0.894 nan 8.360 nan 0.000 0.401 543 A N 4.717 127.514 122.820 -0.039 0.000 2.597 543 A HA 0.417 4.747 4.320 0.016 0.000 0.292 543 A C -2.413 175.190 177.584 0.031 0.000 1.057 543 A CA -0.926 51.080 52.037 -0.051 0.000 0.674 543 A CB 1.279 20.166 19.000 -0.188 0.000 1.278 543 A HN 0.626 nan 8.150 nan 0.000 0.416 544 P HA 0.184 nan 4.420 nan 0.000 0.245 544 P C 0.062 177.415 177.300 0.088 0.000 1.206 544 P CA 0.303 63.434 63.100 0.053 0.000 0.781 544 P CB -0.029 31.691 31.700 0.034 0.000 0.994 545 L N 0.590 121.890 121.223 0.129 0.000 2.426 545 L HA 0.193 4.542 4.340 0.016 0.000 0.271 545 L C 0.861 177.874 176.870 0.239 0.000 1.169 545 L CA -0.678 54.282 54.840 0.199 0.000 0.836 545 L CB 0.134 42.370 42.059 0.294 0.000 1.112 545 L HN -0.207 nan 8.230 nan 0.000 0.465 546 K N 5.857 126.343 120.400 0.144 0.000 2.284 546 K HA 0.259 4.589 4.320 0.016 0.000 0.287 546 K C -2.262 174.332 176.600 -0.010 0.000 1.081 546 K CA -1.624 54.705 56.287 0.070 0.000 0.910 546 K CB 0.562 33.083 32.500 0.036 0.000 1.088 546 K HN 0.161 nan 8.250 nan 0.000 0.478 547 P HA -0.043 nan 4.420 nan 0.000 0.267 547 P C 0.240 177.383 177.300 -0.262 0.000 1.200 547 P CA 0.033 62.823 63.100 -0.517 0.000 0.772 547 P CB 0.790 32.078 31.700 -0.686 0.000 0.855 548 L N 0.645 121.719 121.223 -0.247 0.000 2.270 548 L HA 0.132 4.481 4.340 0.016 0.000 0.210 548 L C 0.984 177.781 176.870 -0.121 0.000 1.104 548 L CA 0.810 55.573 54.840 -0.129 0.000 0.804 548 L CB -0.226 41.780 42.059 -0.088 0.000 0.937 548 L HN 0.302 nan 8.230 nan 0.000 0.450 549 L N -0.664 120.451 121.223 -0.180 0.000 2.408 549 L HA 0.458 4.808 4.340 0.016 0.000 0.268 549 L C -0.936 175.803 176.870 -0.219 0.000 0.986 549 L CA -0.285 54.459 54.840 -0.159 0.000 0.820 549 L CB 2.335 44.302 42.059 -0.153 0.000 1.303 549 L HN -0.179 nan 8.230 nan 0.000 0.411 550 T N 1.417 115.863 114.554 -0.181 0.000 2.861 550 T HA 0.552 4.912 4.350 0.016 0.000 0.287 550 T C -0.363 174.260 174.700 -0.129 0.000 1.003 550 T CA -0.441 61.579 62.100 -0.133 0.000 0.977 550 T CB 1.421 70.255 68.868 -0.057 0.000 0.996 550 T HN 0.083 nan 8.240 nan 0.000 0.448 551 F N 1.453 121.414 119.950 0.018 0.000 2.390 551 F HA 0.184 4.721 4.527 0.016 0.000 0.307 551 F C 2.178 177.982 175.800 0.006 0.000 1.227 551 F CA -0.443 57.574 58.000 0.027 0.000 1.179 551 F CB 0.677 39.698 39.000 0.035 0.000 1.280 551 F HN 0.456 nan 8.300 nan 0.000 0.548 552 Q N 0.690 120.646 119.800 0.261 0.000 2.226 552 Q HA -0.157 4.193 4.340 0.016 0.000 0.204 552 Q C 1.186 177.231 176.000 0.076 0.000 0.975 552 Q CA 1.370 57.247 55.803 0.124 0.000 0.866 552 Q CB -0.694 28.107 28.738 0.104 0.000 0.915 552 Q HN 0.661 nan 8.270 nan 0.000 0.440 553 D N -1.581 118.863 120.400 0.073 0.000 2.328 553 D HA 0.150 4.800 4.640 0.016 0.000 0.226 553 D C 1.088 177.383 176.300 -0.008 0.000 1.066 553 D CA 0.684 54.684 54.000 -0.001 0.000 0.861 553 D CB -0.020 40.739 40.800 -0.067 0.000 0.912 553 D HN 0.230 nan 8.370 nan 0.000 0.521 554 G N -0.005 108.819 108.800 0.041 0.000 2.199 554 G HA2 -0.307 3.663 3.960 0.016 0.000 0.254 554 G HA3 -0.307 3.663 3.960 0.016 0.000 0.254 554 G C 0.175 175.101 174.900 0.042 0.000 0.982 554 G CA 0.009 45.124 45.100 0.027 0.000 0.632 554 G HN 0.437 nan 8.290 nan 0.000 0.529 555 K N 1.010 121.451 120.400 0.068 0.000 2.270 555 K HA 0.486 4.816 4.320 0.016 0.000 0.276 555 K C 1.060 177.799 176.600 0.231 0.000 1.023 555 K CA 0.081 56.434 56.287 0.108 0.000 0.955 555 K CB 1.028 33.532 32.500 0.007 0.000 0.975 555 K HN 0.280 nan 8.250 nan 0.000 0.471 556 G N 0.555 109.498 108.800 0.239 0.000 2.483 556 G HA2 0.313 4.283 3.960 0.016 0.000 0.248 556 G HA3 0.313 4.283 3.960 0.016 0.000 0.248 556 G C 0.377 175.421 174.900 0.240 0.000 1.248 556 G CA -0.280 44.862 45.100 0.070 0.000 0.838 556 G HN 0.684 nan 8.290 nan 0.000 0.566 557 A N 1.178 123.993 122.820 -0.008 0.000 2.211 557 A HA 0.547 4.876 4.320 0.016 0.000 0.208 557 A C 0.222 177.858 177.584 0.087 0.000 1.250 557 A CA 0.387 52.481 52.037 0.095 0.000 0.935 557 A CB 0.275 19.089 19.000 -0.309 0.000 0.982 557 A HN 0.911 nan 8.150 nan 0.000 0.490 558 L N -0.476 120.690 121.223 -0.095 0.000 2.505 558 L HA 0.708 5.058 4.340 0.016 0.000 0.266 558 L C -2.004 174.773 176.870 -0.155 0.000 0.954 558 L CA -0.668 54.161 54.840 -0.018 0.000 0.852 558 L CB 1.462 43.474 42.059 -0.079 0.000 1.282 558 L HN 0.197 nan 8.230 nan 0.000 0.403 559 Y N 3.504 123.892 120.300 0.146 0.000 2.602 559 Y HA 0.828 5.388 4.550 0.016 0.000 0.342 559 Y C -0.218 175.762 175.900 0.133 0.000 1.029 559 Y CA -0.751 57.433 58.100 0.141 0.000 1.080 559 Y CB 2.093 40.660 38.460 0.178 0.000 1.284 559 Y HN 0.627 nan 8.280 nan 0.000 0.485 560 R N 1.406 122.068 120.500 0.269 0.000 2.604 560 R HA 0.574 4.924 4.340 0.016 0.000 0.270 560 R C -2.133 174.269 176.300 0.170 0.000 1.052 560 R CA -0.627 55.586 56.100 0.188 0.000 0.902 560 R CB 1.949 32.305 30.300 0.094 0.000 1.233 560 R HN 0.682 nan 8.270 nan 0.000 0.455 561 E N 2.744 123.048 120.200 0.173 0.000 2.317 561 E HA 0.433 4.793 4.350 0.016 0.000 0.270 561 E C -0.014 176.680 176.600 0.156 0.000 0.899 561 E CA 0.485 56.977 56.400 0.153 0.000 0.814 561 E CB 1.299 31.096 29.700 0.162 0.000 1.296 561 E HN 0.910 nan 8.360 nan 0.000 0.404 562 G N 5.360 114.211 108.800 0.085 0.000 2.561 562 G HA2 -0.408 3.562 3.960 0.016 0.000 0.289 562 G HA3 -0.408 3.562 3.960 0.016 0.000 0.289 562 G C 0.669 175.529 174.900 -0.067 0.000 1.169 562 G CA 0.551 45.671 45.100 0.033 0.000 0.980 562 G HN 0.748 nan 8.290 nan 0.000 0.550 563 R N -0.032 120.315 120.500 -0.254 0.000 2.317 563 R HA 0.390 4.740 4.340 0.016 0.000 0.208 563 R C -0.079 175.890 176.300 -0.552 0.000 0.914 563 R CA 0.231 56.075 56.100 -0.427 0.000 1.060 563 R CB 0.015 29.994 30.300 -0.535 0.000 1.015 563 R HN 0.452 nan 8.270 nan 0.000 0.498 564 Y N 0.843 121.183 120.300 0.066 0.000 2.341 564 Y HA 0.471 5.031 4.550 0.016 0.000 0.337 564 Y C -0.415 175.556 175.900 0.118 0.000 1.014 564 Y CA -1.306 56.853 58.100 0.099 0.000 1.111 564 Y CB 1.492 40.074 38.460 0.205 0.000 1.194 564 Y HN -0.145 nan 8.280 nan 0.000 0.462 565 L N 3.424 124.784 121.223 0.228 0.000 2.341 565 L HA 0.521 4.871 4.340 0.016 0.000 0.267 565 L C -1.269 175.800 176.870 0.333 0.000 1.009 565 L CA -1.056 53.909 54.840 0.208 0.000 0.819 565 L CB 1.669 43.759 42.059 0.052 0.000 1.323 565 L HN 0.567 nan 8.230 nan 0.000 0.425 566 Y N 2.092 122.526 120.300 0.224 0.000 2.386 566 Y HA 0.646 5.206 4.550 0.016 0.000 0.334 566 Y C -1.440 174.607 175.900 0.246 0.000 1.002 566 Y CA -1.023 57.225 58.100 0.246 0.000 1.068 566 Y CB 1.760 40.351 38.460 0.217 0.000 1.203 566 Y HN 0.504 nan 8.280 nan 0.000 0.443 567 L N 6.414 127.372 121.223 -0.441 0.000 2.265 567 L HA 0.690 5.039 4.340 0.016 0.000 0.289 567 L C 0.122 176.833 176.870 -0.265 0.000 1.033 567 L CA 0.080 54.802 54.840 -0.197 0.000 0.814 567 L CB 1.148 43.155 42.059 -0.087 0.000 1.203 567 L HN 0.801 nan 8.230 nan 0.000 0.423 568 A N 4.548 127.472 122.820 0.173 0.000 2.411 568 A HA 0.790 5.120 4.320 0.016 0.000 0.251 568 A C 0.463 178.338 177.584 0.486 0.000 1.317 568 A CA 0.482 52.780 52.037 0.436 0.000 0.904 568 A CB -0.606 18.777 19.000 0.639 0.000 0.993 568 A HN 0.923 nan 8.150 nan 0.000 0.504 569 A N -1.394 121.676 122.820 0.416 0.000 2.612 569 A HA 0.514 4.844 4.320 0.016 0.000 0.293 569 A C -0.993 176.862 177.584 0.452 0.000 1.075 569 A CA -0.489 51.867 52.037 0.532 0.000 0.680 569 A CB 0.326 19.661 19.000 0.558 0.000 1.279 569 A HN 0.567 nan 8.150 nan 0.000 0.411 570 W N 3.675 125.185 121.300 0.351 0.000 2.308 570 W HA 0.350 5.019 4.660 0.016 0.000 0.324 570 W C -2.541 174.003 176.519 0.042 0.000 1.387 570 W CA -0.914 56.524 57.345 0.154 0.000 1.250 570 W CB 0.825 30.384 29.460 0.164 0.000 1.257 570 W HN 0.540 nan 8.180 nan 0.000 0.554 571 P HA 0.095 nan 4.420 nan 0.000 0.281 571 P C -0.535 176.603 177.300 -0.270 0.000 1.249 571 P CA -0.138 62.751 63.100 -0.352 0.000 0.810 571 P CB 1.668 33.018 31.700 -0.583 0.000 1.008 572 S N 1.454 117.082 115.700 -0.120 0.000 2.687 572 S HA 0.410 4.889 4.470 0.016 0.000 0.283 572 S C -1.892 172.633 174.600 -0.123 0.000 1.170 572 S CA -1.388 56.801 58.200 -0.019 0.000 1.008 572 S CB 0.586 63.839 63.200 0.088 0.000 1.026 572 S HN 0.209 nan 8.310 nan 0.000 0.541 573 P HA -0.050 nan 4.420 nan 0.000 0.218 573 P C 0.933 178.202 177.300 -0.052 0.000 1.149 573 P CA 1.111 64.158 63.100 -0.088 0.000 0.817 573 P CB 0.035 31.724 31.700 -0.018 0.000 0.785 574 E N -0.663 119.554 120.200 0.028 0.000 2.051 574 E HA -0.161 4.198 4.350 0.016 0.000 0.192 574 E C 1.832 178.469 176.600 0.062 0.000 0.991 574 E CA 0.846 57.316 56.400 0.116 0.000 0.799 574 E CB -1.358 28.485 29.700 0.239 0.000 0.748 574 E HN 0.110 nan 8.360 nan 0.000 0.449 575 L N 0.600 121.731 121.223 -0.152 0.000 2.017 575 L HA -0.053 4.297 4.340 0.016 0.000 0.208 575 L C 2.055 178.684 176.870 -0.402 0.000 1.073 575 L CA 2.155 56.571 54.840 -0.706 0.000 0.745 575 L CB -1.044 40.519 42.059 -0.826 0.000 0.894 575 L HN 0.112 nan 8.230 nan 0.000 0.432 576 A N -0.435 122.206 122.820 -0.298 0.000 1.908 576 A HA -0.125 4.204 4.320 0.016 0.000 0.218 576 A C 2.345 179.867 177.584 -0.104 0.000 1.181 576 A CA 1.782 53.683 52.037 -0.225 0.000 0.627 576 A CB -1.629 17.142 19.000 -0.380 0.000 0.818 576 A HN 0.552 nan 8.150 nan 0.000 0.445 577 G N -0.849 107.900 108.800 -0.086 0.000 2.404 577 G HA2 -0.199 3.770 3.960 0.016 0.000 0.215 577 G HA3 -0.199 3.770 3.960 0.016 0.000 0.215 577 G C 1.789 176.681 174.900 -0.014 0.000 1.174 577 G CA 0.825 45.910 45.100 -0.027 0.000 0.780 577 G HN 0.556 nan 8.290 nan 0.000 0.537 578 R N -0.668 119.824 120.500 -0.014 0.000 2.090 578 R HA 0.071 4.420 4.340 0.016 0.000 0.228 578 R C 2.442 178.712 176.300 -0.051 0.000 1.110 578 R CA 0.862 56.971 56.100 0.015 0.000 0.973 578 R CB -0.506 29.883 30.300 0.148 0.000 0.869 578 R HN 0.363 nan 8.270 nan 0.000 0.440 579 L N 0.986 122.135 121.223 -0.123 0.000 2.017 579 L HA -0.129 4.221 4.340 0.016 0.000 0.208 579 L C 1.859 178.645 176.870 -0.139 0.000 1.073 579 L CA 1.701 56.459 54.840 -0.137 0.000 0.745 579 L CB -0.519 41.447 42.059 -0.154 0.000 0.894 579 L HN 0.033 nan 8.230 nan 0.000 0.432 580 L N -0.698 120.475 121.223 -0.083 0.000 2.083 580 L HA -0.125 4.225 4.340 0.016 0.000 0.209 580 L C 2.833 179.643 176.870 -0.100 0.000 1.083 580 L CA 1.915 56.712 54.840 -0.072 0.000 0.752 580 L CB -1.453 40.664 42.059 0.096 0.000 0.899 580 L HN 0.444 nan 8.230 nan 0.000 0.433 581 S N -0.822 114.849 115.700 -0.048 0.000 2.356 581 S HA -0.180 4.300 4.470 0.016 0.000 0.223 581 S C 2.205 176.758 174.600 -0.078 0.000 1.032 581 S CA 1.209 59.392 58.200 -0.029 0.000 1.005 581 S CB -0.175 63.023 63.200 -0.002 0.000 0.867 581 S HN 0.436 nan 8.310 nan 0.000 0.449 582 A N 1.398 124.157 122.820 -0.102 0.000 1.908 582 A HA 0.017 4.347 4.320 0.016 0.000 0.218 582 A C 2.230 179.697 177.584 -0.195 0.000 1.181 582 A CA 1.520 53.489 52.037 -0.114 0.000 0.627 582 A CB -0.835 18.107 19.000 -0.098 0.000 0.818 582 A HN 0.581 nan 8.150 nan 0.000 0.445 583 L N -0.899 120.115 121.223 -0.348 0.000 2.046 583 L HA -0.193 4.157 4.340 0.016 0.000 0.208 583 L C 3.125 179.683 176.870 -0.519 0.000 1.077 583 L CA 1.022 55.509 54.840 -0.588 0.000 0.747 583 L CB -0.567 40.806 42.059 -1.144 0.000 0.896 583 L HN 0.448 nan 8.230 nan 0.000 0.432 584 A N 0.092 122.694 122.820 -0.363 0.000 1.883 584 A HA -0.211 4.118 4.320 0.016 0.000 0.217 584 A C 2.539 180.128 177.584 0.009 0.000 1.186 584 A CA 1.878 53.928 52.037 0.022 0.000 0.624 584 A CB -0.777 18.312 19.000 0.148 0.000 0.822 584 A HN 0.409 nan 8.150 nan 0.000 0.444 585 A N -0.293 122.507 122.820 -0.034 0.000 1.877 585 A HA -0.221 4.109 4.320 0.016 0.000 0.216 585 A C 2.061 179.630 177.584 -0.024 0.000 1.186 585 A CA 1.915 53.941 52.037 -0.017 0.000 0.620 585 A CB -0.662 18.323 19.000 -0.025 0.000 0.822 585 A HN 0.697 nan 8.150 nan 0.000 0.443 586 E N -0.087 120.078 120.200 -0.060 0.000 2.160 586 E HA -0.131 4.229 4.350 0.016 0.000 0.195 586 E C 1.745 178.330 176.600 -0.026 0.000 0.991 586 E CA 1.040 57.408 56.400 -0.053 0.000 0.810 586 E CB -0.232 29.414 29.700 -0.090 0.000 0.742 586 E HN 0.532 nan 8.360 nan 0.000 0.466 587 A N -0.085 122.730 122.820 -0.007 0.000 2.238 587 A HA 0.249 4.578 4.320 0.016 0.000 0.208 587 A C 1.689 179.304 177.584 0.052 0.000 1.177 587 A CA 0.881 52.947 52.037 0.049 0.000 0.804 587 A CB -0.369 18.719 19.000 0.148 0.000 0.823 587 A HN 0.495 nan 8.150 nan 0.000 0.482 588 G N -1.237 107.584 108.800 0.034 0.000 2.143 588 G HA2 -0.213 3.757 3.960 0.016 0.000 0.249 588 G HA3 -0.213 3.757 3.960 0.016 0.000 0.249 588 G C 0.068 174.996 174.900 0.047 0.000 0.981 588 G CA 0.317 45.437 45.100 0.033 0.000 0.665 588 G HN 0.431 nan 8.290 nan 0.000 0.528 589 L N 1.185 122.449 121.223 0.069 0.000 2.371 589 L HA 0.437 4.787 4.340 0.016 0.000 0.272 589 L C 0.939 177.848 176.870 0.065 0.000 1.124 589 L CA -0.957 53.932 54.840 0.081 0.000 0.816 589 L CB 0.960 43.100 42.059 0.135 0.000 1.129 589 L HN 0.208 nan 8.230 nan 0.000 0.448 590 K N 3.430 123.865 120.400 0.058 0.000 2.174 590 K HA 0.573 4.903 4.320 0.016 0.000 0.275 590 K C -0.639 175.997 176.600 0.059 0.000 1.015 590 K CA -0.519 55.798 56.287 0.051 0.000 0.933 590 K CB 1.743 34.271 32.500 0.047 0.000 1.025 590 K HN 0.381 nan 8.250 nan 0.000 0.463 591 V N -0.565 119.381 119.914 0.053 0.000 3.040 591 V HA 0.691 4.821 4.120 0.016 0.000 0.312 591 V C -0.755 175.369 176.094 0.051 0.000 1.115 591 V CA -1.246 61.087 62.300 0.056 0.000 0.998 591 V CB 1.730 33.585 31.823 0.055 0.000 1.042 591 V HN 0.703 nan 8.190 nan 0.000 0.433 592 L N 1.471 122.726 121.223 0.055 0.000 2.381 592 L HA 0.586 4.935 4.340 0.016 0.000 0.268 592 L C 0.146 177.046 176.870 0.051 0.000 0.997 592 L CA -0.588 54.285 54.840 0.055 0.000 0.818 592 L CB 2.496 44.596 42.059 0.069 0.000 1.310 592 L HN 0.723 nan 8.230 nan 0.000 0.416 593 S N 3.534 119.261 115.700 0.046 0.000 3.729 593 S HA 0.395 4.875 4.470 0.016 0.000 0.235 593 S C 0.087 174.718 174.600 0.051 0.000 1.367 593 S CA -0.539 57.688 58.200 0.044 0.000 0.907 593 S CB -0.518 62.705 63.200 0.037 0.000 1.471 593 S HN 0.304 nan 8.310 nan 0.000 0.476 594 L N 4.417 125.676 121.223 0.060 0.000 2.456 594 L HA 0.223 4.572 4.340 0.016 0.000 0.272 594 L C -1.576 175.339 176.870 0.074 0.000 1.189 594 L CA -1.576 53.309 54.840 0.074 0.000 0.846 594 L CB -0.088 42.024 42.059 0.088 0.000 1.111 594 L HN 0.238 nan 8.230 nan 0.000 0.475 595 P HA 0.053 nan 4.420 nan 0.000 0.272 595 P C 0.067 177.428 177.300 0.103 0.000 1.230 595 P CA -0.331 62.819 63.100 0.082 0.000 0.788 595 P CB 0.823 32.570 31.700 0.078 0.000 0.949 596 E N 1.481 121.746 120.200 0.109 0.000 2.108 596 E HA -0.191 4.169 4.350 0.016 0.000 0.203 596 E C 1.993 178.702 176.600 0.183 0.000 1.022 596 E CA 2.438 58.923 56.400 0.141 0.000 0.823 596 E CB -0.955 28.839 29.700 0.157 0.000 0.744 596 E HN 0.753 nan 8.360 nan 0.000 0.456 597 G N -0.785 108.146 108.800 0.218 0.000 3.088 597 G HA2 0.177 4.146 3.960 0.016 0.000 0.217 597 G HA3 0.177 4.146 3.960 0.016 0.000 0.217 597 G C -0.063 175.017 174.900 0.300 0.000 1.159 597 G CA -0.406 44.874 45.100 0.300 0.000 0.760 597 G HN 0.041 nan 8.290 nan 0.000 0.550 598 L N 1.068 122.426 121.223 0.225 0.000 2.322 598 L HA 0.742 5.092 4.340 0.016 0.000 0.279 598 L C -0.655 176.360 176.870 0.242 0.000 1.036 598 L CA -0.784 54.205 54.840 0.247 0.000 0.807 598 L CB 1.302 43.472 42.059 0.184 0.000 1.226 598 L HN -0.130 nan 8.230 nan 0.000 0.433 599 R N 4.907 125.604 120.500 0.329 0.000 2.725 599 R HA 0.680 5.030 4.340 0.016 0.000 0.277 599 R C -1.542 174.954 176.300 0.327 0.000 0.987 599 R CA -0.697 55.597 56.100 0.324 0.000 0.901 599 R CB 1.839 32.388 30.300 0.414 0.000 1.207 599 R HN 0.642 nan 8.270 nan 0.000 0.463 600 L N 1.327 122.700 121.223 0.249 0.000 2.354 600 L HA 0.691 5.041 4.340 0.016 0.000 0.264 600 L C -0.357 176.617 176.870 0.174 0.000 1.008 600 L CA -1.169 53.773 54.840 0.170 0.000 0.819 600 L CB 2.191 44.319 42.059 0.115 0.000 1.339 600 L HN 0.393 nan 8.230 nan 0.000 0.420 601 R N 1.302 121.868 120.500 0.110 0.000 2.536 601 R HA 0.480 4.829 4.340 0.016 0.000 0.269 601 R C -1.599 174.711 176.300 0.017 0.000 1.113 601 R CA -0.570 55.543 56.100 0.021 0.000 0.948 601 R CB 1.511 31.775 30.300 -0.060 0.000 1.237 601 R HN 0.597 nan 8.270 nan 0.000 0.441 602 R N 2.347 122.836 120.500 -0.018 0.000 2.674 602 R HA 0.657 5.007 4.340 0.016 0.000 0.266 602 R C -0.535 175.777 176.300 0.020 0.000 1.016 602 R CA -1.095 55.020 56.100 0.025 0.000 1.062 602 R CB 1.537 31.832 30.300 -0.008 0.000 1.142 602 R HN 0.566 nan 8.270 nan 0.000 0.517 603 R N 0.439 120.989 120.500 0.084 0.000 2.605 603 R HA 0.288 4.637 4.340 0.016 0.000 0.291 603 R C -0.203 176.056 176.300 -0.069 0.000 1.226 603 R CA 0.582 56.690 56.100 0.013 0.000 0.981 603 R CB 1.009 31.349 30.300 0.066 0.000 1.215 603 R HN 0.867 nan 8.270 nan 0.000 0.428 604 G N 1.677 110.416 108.800 -0.102 0.000 2.556 604 G HA2 -0.434 3.536 3.960 0.016 0.000 0.283 604 G HA3 -0.434 3.536 3.960 0.016 0.000 0.283 604 G C 0.693 175.557 174.900 -0.059 0.000 1.177 604 G CA 0.577 45.595 45.100 -0.137 0.000 0.978 604 G HN 0.839 nan 8.290 nan 0.000 0.554 605 T N -2.719 111.817 114.554 -0.031 0.000 3.107 605 T HA 0.322 4.682 4.350 0.016 0.000 0.249 605 T C 0.583 175.391 174.700 0.179 0.000 1.096 605 T CA 0.871 63.017 62.100 0.078 0.000 1.012 605 T CB 0.021 68.957 68.868 0.114 0.000 0.977 605 T HN 0.514 nan 8.240 nan 0.000 0.527 606 W N 1.479 122.691 121.300 -0.147 0.000 2.237 606 W HA 0.617 5.287 4.660 0.016 0.000 0.335 606 W C -0.445 175.843 176.519 -0.384 0.000 1.230 606 W CA -1.847 55.317 57.345 -0.302 0.000 1.253 606 W CB 0.503 29.811 29.460 -0.253 0.000 1.129 606 W HN -0.162 nan 8.180 nan 0.000 0.590 607 V N 3.497 123.037 119.914 -0.624 0.000 2.531 607 V HA 0.397 4.527 4.120 0.016 0.000 0.301 607 V C -0.860 174.557 176.094 -1.128 0.000 1.034 607 V CA -1.037 60.761 62.300 -0.836 0.000 0.865 607 V CB 1.155 32.207 31.823 -1.285 0.000 0.995 607 V HN 0.161 nan 8.190 nan 0.000 0.424 608 F N 2.636 122.166 119.950 -0.700 0.000 2.443 608 F HA 0.798 5.335 4.527 0.016 0.000 0.335 608 F C 0.518 175.890 175.800 -0.714 0.000 1.104 608 F CA -0.683 56.894 58.000 -0.704 0.000 1.013 608 F CB 1.887 40.575 39.000 -0.520 0.000 1.136 608 F HN 0.546 nan 8.300 nan 0.000 0.470 609 A N 4.023 126.556 122.820 -0.477 0.000 2.319 609 A HA 0.776 5.106 4.320 0.016 0.000 0.310 609 A C -1.601 175.794 177.584 -0.315 0.000 1.152 609 A CA -0.427 51.508 52.037 -0.170 0.000 0.783 609 A CB 0.114 19.282 19.000 0.280 0.000 1.184 609 A HN 0.510 nan 8.150 nan 0.000 0.474 610 F N 2.026 122.151 119.950 0.292 0.000 2.426 610 F HA 0.414 4.951 4.527 0.017 0.000 0.348 610 F C 0.406 176.367 175.800 0.268 0.000 1.124 610 F CA -0.940 57.222 58.000 0.270 0.000 1.008 610 F CB 1.803 41.022 39.000 0.365 0.000 1.139 610 F HN 0.579 nan 8.300 nan 0.000 0.452 611 N N 2.605 121.490 118.700 0.308 0.000 2.485 611 N HA 0.129 4.879 4.740 0.016 0.000 0.243 611 N C -0.209 175.414 175.510 0.187 0.000 0.987 611 N CA -0.355 52.840 53.050 0.241 0.000 0.940 611 N CB 0.238 38.797 38.487 0.120 0.000 1.122 611 N HN 0.455 nan 8.380 nan 0.000 0.509 612 Y N 2.615 123.070 120.300 0.258 0.000 2.553 612 Y HA 0.202 4.762 4.550 0.016 0.000 0.303 612 Y C 1.805 177.911 175.900 0.344 0.000 1.194 612 Y CA 0.788 59.086 58.100 0.331 0.000 1.305 612 Y CB -0.444 38.202 38.460 0.310 0.000 1.045 612 Y HN 0.760 nan 8.280 nan 0.000 0.514 613 G N 1.010 109.938 108.800 0.212 0.000 2.698 613 G HA2 -0.252 3.718 3.960 0.016 0.000 0.233 613 G HA3 -0.252 3.718 3.960 0.016 0.000 0.233 613 G C -1.697 173.273 174.900 0.116 0.000 1.352 613 G CA -0.278 44.829 45.100 0.012 0.000 0.879 613 G HN 0.168 nan 8.290 nan 0.000 0.567 614 P HA 0.147 nan 4.420 nan 0.000 0.245 614 P C 0.400 177.621 177.300 -0.132 0.000 1.206 614 P CA 1.009 64.081 63.100 -0.046 0.000 0.781 614 P CB 0.324 32.044 31.700 0.034 0.000 0.994 615 E N -0.426 119.726 120.200 -0.080 0.000 2.281 615 E HA 0.591 4.951 4.350 0.016 0.000 0.262 615 E C -0.364 176.192 176.600 -0.072 0.000 0.933 615 E CA -1.214 55.140 56.400 -0.077 0.000 0.809 615 E CB 1.766 31.445 29.700 -0.034 0.000 1.242 615 E HN -0.095 nan 8.360 nan 0.000 0.418 616 A N 0.835 123.615 122.820 -0.067 0.000 2.425 616 A HA 0.427 4.757 4.320 0.016 0.000 0.242 616 A C -0.020 177.552 177.584 -0.021 0.000 1.077 616 A CA -0.236 51.770 52.037 -0.051 0.000 0.781 616 A CB 0.101 19.069 19.000 -0.053 0.000 1.020 616 A HN 0.400 nan 8.150 nan 0.000 0.494 617 V N -1.036 118.874 119.914 -0.007 0.000 3.147 617 V HA 0.630 4.760 4.120 0.016 0.000 0.306 617 V C -0.670 175.424 176.094 -0.000 0.000 1.209 617 V CA -0.995 61.310 62.300 0.009 0.000 1.023 617 V CB 1.713 33.562 31.823 0.045 0.000 1.059 617 V HN 0.894 nan 8.190 nan 0.000 0.435 618 E N 1.682 121.878 120.200 -0.007 0.000 2.227 618 E HA 0.636 4.996 4.350 0.016 0.000 0.282 618 E C -0.026 176.564 176.600 -0.018 0.000 1.015 618 E CA -0.464 55.917 56.400 -0.032 0.000 0.823 618 E CB 1.944 31.615 29.700 -0.049 0.000 1.081 618 E HN 1.108 nan 8.360 nan 0.000 0.396 619 A N 4.939 127.732 122.820 -0.045 0.000 2.409 619 A HA 0.211 4.541 4.320 0.016 0.000 0.267 619 A C -1.853 175.623 177.584 -0.180 0.000 1.127 619 A CA -1.226 50.772 52.037 -0.065 0.000 0.795 619 A CB -0.050 18.868 19.000 -0.136 0.000 1.061 619 A HN 0.400 nan 8.150 nan 0.000 0.502 620 P HA 0.224 nan 4.420 nan 0.000 0.226 620 P C -0.104 177.127 177.300 -0.115 0.000 1.783 620 P CA 0.362 63.433 63.100 -0.049 0.000 0.980 620 P CB -0.220 31.516 31.700 0.059 0.000 1.967 621 A N 1.842 124.382 122.820 -0.467 0.000 2.327 621 A HA 0.480 4.809 4.320 0.016 0.000 0.283 621 A C 0.866 178.278 177.584 -0.286 0.000 1.127 621 A CA -0.356 51.251 52.037 -0.716 0.000 0.810 621 A CB 0.290 18.235 19.000 -1.760 0.000 1.066 621 A HN 0.450 nan 8.150 nan 0.000 0.492 622 S N 1.501 117.135 115.700 -0.110 0.000 2.576 622 S HA 0.209 4.689 4.470 0.016 0.000 0.272 622 S C 0.157 174.713 174.600 -0.074 0.000 1.352 622 S CA -0.147 58.028 58.200 -0.041 0.000 1.021 622 S CB 0.339 63.555 63.200 0.028 0.000 0.887 622 S HN 0.779 nan 8.310 nan 0.000 0.542 623 E N 0.471 120.646 120.200 -0.041 0.000 2.392 623 E HA 0.418 4.778 4.350 0.016 0.000 0.264 623 E C 1.428 178.015 176.600 -0.022 0.000 1.024 623 E CA 1.292 57.670 56.400 -0.036 0.000 0.903 623 E CB -0.041 29.643 29.700 -0.026 0.000 0.963 623 E HN 1.193 nan 8.360 nan 0.000 0.432 624 G N 2.469 111.259 108.800 -0.016 0.000 2.189 624 G HA2 -0.298 3.671 3.960 0.016 0.000 0.267 624 G HA3 -0.298 3.671 3.960 0.016 0.000 0.267 624 G C 0.451 175.355 174.900 0.008 0.000 0.975 624 G CA 0.299 45.398 45.100 -0.002 0.000 0.644 624 G HN 0.915 nan 8.290 nan 0.000 0.537 625 A N -0.009 122.804 122.820 -0.012 0.000 2.531 625 A HA 0.503 4.833 4.320 0.016 0.000 0.236 625 A C 0.887 178.479 177.584 0.012 0.000 1.062 625 A CA 0.993 53.007 52.037 -0.038 0.000 0.760 625 A CB 0.162 19.019 19.000 -0.238 0.000 0.995 625 A HN 0.973 nan 8.150 nan 0.000 0.501 626 R N 2.509 122.998 120.500 -0.018 0.000 2.215 626 R HA 0.408 4.758 4.340 0.016 0.000 0.336 626 R C -1.633 174.623 176.300 -0.073 0.000 0.996 626 R CA -0.383 55.721 56.100 0.007 0.000 0.847 626 R CB 0.161 30.444 30.300 -0.029 0.000 1.127 626 R HN 0.510 nan 8.270 nan 0.000 0.465 627 F N 4.965 124.858 119.950 -0.096 0.000 2.467 627 F HA 0.093 4.630 4.527 0.016 0.000 0.362 627 F C 1.105 176.775 175.800 -0.216 0.000 1.090 627 F CA -0.489 57.441 58.000 -0.117 0.000 1.202 627 F CB 1.022 39.954 39.000 -0.114 0.000 1.113 627 F HN 0.444 nan 8.300 nan 0.000 0.541 628 L N 3.215 124.274 121.223 -0.274 0.000 2.298 628 L HA 0.211 4.560 4.340 0.016 0.000 0.209 628 L C -0.038 176.668 176.870 -0.274 0.000 1.084 628 L CA 0.642 55.249 54.840 -0.389 0.000 0.816 628 L CB -0.710 40.858 42.059 -0.818 0.000 0.967 628 L HN 0.437 nan 8.230 nan 0.000 0.460 629 L N -1.236 119.845 121.223 -0.237 0.000 2.513 629 L HA 0.654 5.004 4.340 0.016 0.000 0.261 629 L C 0.066 176.906 176.870 -0.050 0.000 0.945 629 L CA 0.481 55.210 54.840 -0.185 0.000 0.848 629 L CB 1.589 43.427 42.059 -0.369 0.000 1.334 629 L HN 0.313 nan 8.230 nan 0.000 0.407 630 G N 2.772 111.556 108.800 -0.028 0.000 2.645 630 G HA2 0.087 4.057 3.960 0.016 0.000 0.239 630 G HA3 0.087 4.057 3.960 0.016 0.000 0.239 630 G C -0.620 174.264 174.900 -0.027 0.000 1.331 630 G CA -0.038 45.060 45.100 -0.003 0.000 0.890 630 G HN 1.681 nan 8.290 nan 0.000 0.572 631 S N -2.002 113.630 115.700 -0.112 0.000 2.661 631 S HA 0.724 5.204 4.470 0.016 0.000 0.285 631 S C 0.895 175.219 174.600 -0.460 0.000 1.138 631 S CA 0.381 58.303 58.200 -0.463 0.000 0.855 631 S CB 2.139 65.130 63.200 -0.349 0.000 1.136 631 S HN 1.206 nan 8.310 nan 0.000 0.484 632 R N 0.499 120.490 120.500 -0.849 0.000 2.117 632 R HA -0.059 4.291 4.340 0.016 0.000 0.243 632 R C 0.969 177.157 176.300 -0.186 0.000 1.143 632 R CA 1.180 57.032 56.100 -0.413 0.000 0.968 632 R CB -0.095 29.955 30.300 -0.416 0.000 0.863 632 R HN 0.670 nan 8.270 nan 0.000 0.444 633 R N 0.994 121.377 120.500 -0.195 0.000 2.210 633 R HA 0.151 4.501 4.340 0.016 0.000 0.338 633 R C -1.330 174.925 176.300 -0.075 0.000 1.062 633 R CA -0.272 55.760 56.100 -0.113 0.000 0.902 633 R CB 1.019 31.251 30.300 -0.114 0.000 1.050 633 R HN -0.029 nan 8.270 nan 0.000 0.461 634 V N 5.148 125.044 119.914 -0.030 0.000 2.348 634 V HA 0.328 4.458 4.120 0.016 0.000 0.270 634 V C 1.154 177.237 176.094 -0.019 0.000 1.037 634 V CA -0.660 61.640 62.300 -0.001 0.000 0.872 634 V CB 1.027 32.880 31.823 0.051 0.000 1.002 634 V HN 0.945 nan 8.190 nan 0.000 0.464 635 G N 6.477 115.256 108.800 -0.035 0.000 2.664 635 G HA2 0.342 4.311 3.960 0.016 0.000 0.242 635 G HA3 0.342 4.311 3.960 0.016 0.000 0.242 635 G C -2.308 172.525 174.900 -0.112 0.000 1.225 635 G CA -0.832 44.228 45.100 -0.068 0.000 0.849 635 G HN 0.574 nan 8.290 nan 0.000 0.581 636 P HA 0.022 nan 4.420 nan 0.000 0.271 636 P C -0.671 176.325 177.300 -0.506 0.000 1.218 636 P CA 0.288 63.081 63.100 -0.511 0.000 0.780 636 P CB 0.135 31.321 31.700 -0.857 0.000 0.901 637 Y N -2.472 117.824 120.300 -0.007 0.000 4.409 637 Y HA -0.261 4.299 4.550 0.016 0.000 0.228 637 Y C 0.536 176.411 175.900 -0.041 0.000 1.108 637 Y CA 0.342 58.395 58.100 -0.078 0.000 1.955 637 Y CB -1.969 36.443 38.460 -0.080 0.000 1.615 637 Y HN 0.371 nan 8.280 nan 0.000 0.665 638 D N 0.210 120.657 120.400 0.078 0.000 2.687 638 D HA 0.829 5.479 4.640 0.016 0.000 0.264 638 D C -0.497 175.886 176.300 0.139 0.000 1.091 638 D CA -0.282 53.777 54.000 0.098 0.000 1.123 638 D CB 1.702 42.533 40.800 0.051 0.000 1.407 638 D HN 0.082 nan 8.370 nan 0.000 0.591 639 L N -2.181 119.118 121.223 0.127 0.000 2.510 639 L HA 1.046 5.396 4.340 0.016 0.000 0.252 639 L C -1.497 175.387 176.870 0.022 0.000 1.091 639 L CA -1.022 53.878 54.840 0.101 0.000 0.888 639 L CB 1.577 43.759 42.059 0.206 0.000 1.507 639 L HN 0.366 nan 8.230 nan 0.000 0.407 640 A N 0.155 122.957 122.820 -0.029 0.000 2.572 640 A HA 0.905 5.235 4.320 0.016 0.000 0.295 640 A C -1.568 175.909 177.584 -0.178 0.000 1.072 640 A CA -0.632 51.432 52.037 0.046 0.000 0.691 640 A CB 2.072 21.274 19.000 0.337 0.000 1.291 640 A HN 0.824 nan 8.150 nan 0.000 0.404 641 V N 1.187 120.921 119.914 -0.299 0.000 2.623 641 V HA 0.755 4.885 4.120 0.016 0.000 0.304 641 V C -0.929 174.796 176.094 -0.615 0.000 1.054 641 V CA -0.240 61.586 62.300 -0.790 0.000 0.882 641 V CB 1.233 32.361 31.823 -1.159 0.000 1.002 641 V HN 1.296 nan 8.190 nan 0.000 0.424 642 W N 2.195 122.978 121.300 -0.862 0.000 3.042 642 W HA 0.787 5.457 4.660 0.016 0.000 0.342 642 W C -0.992 175.144 176.519 -0.638 0.000 1.240 642 W CA -0.969 55.834 57.345 -0.903 0.000 1.166 642 W CB 1.172 29.806 29.460 -1.377 0.000 1.469 642 W HN 0.442 nan 8.180 nan 0.000 0.579 643 E N 1.854 121.895 120.200 -0.265 0.000 2.130 643 E HA 0.212 4.571 4.350 0.016 0.000 0.284 643 E C -0.576 176.082 176.600 0.096 0.000 1.018 643 E CA -0.387 55.943 56.400 -0.118 0.000 0.817 643 E CB 1.470 31.117 29.700 -0.088 0.000 1.078 643 E HN 0.422 nan 8.360 nan 0.000 0.396 644 E N 0.000 120.252 120.200 0.086 0.000 2.725 644 E HA 0.000 4.360 4.350 0.016 0.000 0.291 644 E CA 0.000 56.495 56.400 0.158 0.000 0.976 644 E CB 0.000 29.801 29.700 0.168 0.000 0.812 644 E HN 0.000 nan 8.360 nan 0.000 0.440